@TOME V2.2
(Nov 2016)
Ref.
-
Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : S4A5_HUMAN: (2015-12-11 )
MKVKEEKAGVGKLDHTNHRRRFPDQKECPPIHIGLPVPTYPQRKTDQKGHLSGLQKVHWGLRPDQPQQELTGPGSGASSQDSSMDLISRTRSPAAEQLQDILGEEDEAPNPTLFTEMDTLQHDGDQMEWKESARWIKFEEKVEEGGERWSKPHVSTLSLHSLFELRTCLQTGTVLLDLDSGSLPQIIDDVIEKQIEDGLLRPELRERVSYVLLRRHRHQTKKPIHRSLADIGKSVSTTNRSPARSPGAGPSLHHSTEDLRMRQSANYGRLCHAQSRSMNDISLTPNTDQRKNKFMKKIPKDSEASNVLVGEVDFLDQPFIAFVRLIQSAMLGGVTEVPVPTRFLFILLGPSGRAKSYNEIGRAIATLMVDDLFSDVAYKARNREDLIAGIDEFLDEVIVLPPGEWDPNIRIEPPKKVPSADKRKSVFSLAELGQMNGSVGGGGGAPGGGNGGGGGGGSGGGAGSGGAGGTSSGDDGEMPAMHEIGEELIWTGRFFGGLCLDIKRKLPWFPSDFYDGFHIQSISAILFIYLGCITNAITFGGLLGDATDNYQGVMESFLGTAMAGSLFCLFSGQPLIILSSTGPILIFEKLLFDFSKGNGLDYMEFRLWIGLHSAVQCLILVATDASFIIKYITRFTEEGFSTLISFIFIYDAIKKMIGAFKYYPINMDFKPNFITTYKCECVAPDTVNTTVFNASAPLAPDTNASLYNLLNLTALDWSLLSKKECLSYGGRLLGNSCKFIPDLALMSFILFFGTYSMTLTLKKFKFSRYFPTKVRALVADFSIVFSILMFCGIDACFGLETPKLHVPSVIKPTRPDRGWFVAPFGKNPWWVYPASILPALLVTILIFMDQQITAVIVNRKENKLKKAAGYHLDLFWVGILMALCSFMGLPWYVAATVISIAHIDSLKMETETSAPGEQPQFLGVREQRVTGIIVFILTGISVFLAPILKCIPLPVLYGVFLYMGVASLNGIQMGTGGSEFKIQKKLTPFWERCKLFLMPAKHQPDHAFLRHVPLRRIHLFTLVQILCLAVLWILKSTVAAIIFPVMILGLIIVRRLLDFIFSQHDLAWIDNILPEKEKKETDKKRKRKKGAHEDCDEEPQFPPPSVIKIPMESVQSDPQNGIHCIARKRSSSWSYSL
Atome Classification :
(20 SA)
.........10........20........30........40........50........60........70........80........90.........100.......110..--.....-120-.--......130..---.....140.......150.......160..-.....170.-....----..180.......190.......200..---------.....210...-....220...---....230.......240...-...--.250--...-.-...260.......270.......280.......290.......300.......310.---.-.....320.......330....--...340.......350......-.360.......370.......380.......390.......400-----.......410.......420.......430.......440....-...450.......460.......470.......480.......490.......500.......510.......520.......530.......-540.......550.......560.......570...-...-..580......-.590.......600.......610.......620.----......630.......640....-...650.......660.......670.......680.......690.......700.......710.......720.......730.......740.......750.......760.......770.......780-........790.......800.......810.......820.......--830.......-840.-......850.......860..-.....870.......880.......890........900.......910.......920.......930.----..-.-...940.---......950.......960.-......970.......980-.......990.......1000.......1010......1020......1030......-1040......1050......1060......1070......1080......1090......1100......1110......-1120......1130....
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MKV
K
E
EKAGVGKLDHT
N
H
RRRFPDQKECP
P
I
H
IGLPVPTYPQRKTDQK
G
H
L
S
G
L
Q
K
V
HWGLRPDQP
Q
Q
ELTGPGSGASSQD
S
S
M
D
L
I
S
RT-RS
P
A
A
E
Q
L
Q
D
I
LGEEDEAPNP
T
L
F
--
T
E
M
D
T
-LQH-D--G
D
Q
M
E
W
K
E
SAR---
W
I
K
F
E
E
K
V
E
EG
G
E
RWSKPHV
S
T
L
S
L
H
S
L
F
E
-
L
R
T
C
L
QT
G
T
-
V
L
L
D----LDSGS
L
P
Q
I
I
D
D
V
I
E
K
Q
I
EDGLL
R
P
E
L
---------
R
E
R
V
S
Y
V
L
L
R
R
-HRHQTK
K
P
I
H
---
R
S
L
A
D
IGKSVSTTNRSPARS-PGA--GPSL--HHS-
T
-
E
D
L
R
M
R
QSANYG
R
L
C
HAQSRSMN
D
I
SLTPN
T
D
Q
R
K
N
K
F
M
K
KIPKDSEAS
N
V
L
V
GEVD---F-LDQ
P
F
I
A
F
V
R
L
I
Q
S
A
MLGGVTE--VPVP
T
R
F
L
F
I
L
LGPSGRA
K
S
Y
N
-
E
I
G
R
A
I
A
T
L
M
V
D
D
L
F
S
D
V
A
Y
KAR
N
R
E
D
L
I
A
G
I
D
E
F
L
D
E
V
I
V
LPP-----GEWDPN
I
R
IEPPKKVP
S
A
D
K
R
K
S
V
F
S
L
A
E
L
G
QMNGSVGGGGGAP-GGGNGGGGGGGSGGGAGSGGAGGTSSGDDGEM
P
A
M
H
E
I
G
E
E
L
I
WTGRFF
G
G
L
C
L
D
I
K
RKLPWFPSDFYD
G
F
H
I
Q
S
I
S
A
I
L
F
I
Y
L
G
C
I
T
N
A
I
T
F-GGLLGDAT
D
N
Y
Q
G
V
M
E
S
F
L
G
T
A
M
A
G
S
L
F
C
L
F-SGQ
P
-
L
I
I
-LSSTG
P
I
L
I
F
E
-
K
L
L
F
D
FSKGNGL
D
Y
M
E
F
R
L
W
I
G
L
H
S
A
V
Q
C
L
I
L
V
AT----
D
A
S
F
I
I
K
Y
I
T
R
F
T
E
E
G
F
S
T
L
I
S
F
-
I
F
I
Y
D
A
I
K
K
M
I
GA
F
K
Y
Y
P
INMDFKPN
F
I
T
T
Y
K
C
E
CVAPDTV
N
T
T
V
FNASAPLAPDTN
A
S
L
Y
N
L
L
N
L
T
A
L
D
W
S
L
L
S
K
K
E
C
L
S
YG
G
R
LLGNSCKF
I
P
D
L
A
L
M
S
F
I
L
F
FGT
Y
S
M
T
L
T
L
KKFKFSRYF
P
T
K
V
R
A
L
V
A
D
F
--
S
I
V
F
S
I
L
M
F
CG
I
D
A
CFGLETPKLHVPSVIKPTRPDR
G
W
F
VAPFGKNP
W
--
W
V
Y
P
A
S
I
L
P
A
-
L
L
V
T
-
I
L
I
F
MDQQ
I
T
A
V
I
V
NRKE
N
K
L
-
K
K
AAGY
H
L
D
L
F
W
V
G
I
L
M
A
L
C
S
FMG
L
P
W
-
Y
V
A
A
T
V
I
S
I
A
H
ID
S
L
K
METETSAPGEQP
Q
F
LGVREQR
V
T
G
I
I
----
V
F
-
I
-
L
T
G
I
S
V
F
---
L
A
P
I
L
K
CI
P
L
P
V
L
Y
G
V
F
L
Y
M
-
G
V
A
SLN
G
I
QMGTGGS
E
F
K
I
-QKKLT
P
F
W
E
R
C
K
L
F
L
MPA-KHQP
D
H
A
F
L
R
HVP
L
R
R
I
H
L
F
T
L
V
Q
I
L
C
L
A
V
L
W
I
L
K
S
T
V
A
-
A
I
I
F
P
V
M
I
L
G
L
I
I
V
R
R
L
L
D
F
I
FSQH
D
L
A
W
I
D
N
ILP
E
K
E
K
K
E
T
D
K
K
R
K
R
KKGAHEDCDEEPQFPPPS
V
I
K
I
P
M
E
S
VQSDPQ-NGI
H
C
I
ARKRSSSWSYSL
33
Fugue
90.23
35%
-42
- C3 -
1HYN
-
B3AT_HUMAN
P:
[56-348]
----------------------------------------------------------------------------------------------------------------
K
V
Y
--
V
E
L
Q
E
-
L
V
M
-
D
EK
N
Q
E
L
R
W
M
E
A
A
R
---
W
V
Q
L
E
E
N
L
G
E
N
G
-
A
W
G
R
P
H
L
S
H
L
T
F
W
S
L
L
E
-
L
R
R
V
F
T
K
G
T
-
V
L
L
D
----
L
Q
E
T
S
L
A
G
V
A
N
Q
L
L
D
R
F
I
F
E
D
Q
I
R
P
Q
D
---------
R
E
E
L
L
R
A
L
L
L
K
-
H
S
H
---
A
G
E
L
---
E
A
L
G
G
V
K
P
A
V
L
T
R
S
G
D
P
S
Q
P
-
L
L
P
--
Q
H
S
------------------------
S
L
E
T
Q
L
F
C
E
Q
G
D
G
G
T
E
G
H
S
P
S
G
I
L
E
K
I
P
P
D
S
E
A
T
L
V
L
V
G
R
A
D
---
F
-
L
E
Q
P
V
L
G
F
V
R
L
Q
E
A
A
E
L
E
A
V
-
E
--
L
P
V
P
I
R
F
L
F
V
L
L
G
P
E
A
P
H
I
D
Y
T
-
Q
L
G
R
A
A
A
T
L
M
S
E
R
V
F
R
I
D
A
Y
M
A
Q
S
R
G
E
L
L
H
S
L
E
G
F
L
D
C
S
L
V
L
P
P
-----
T
D
A
P
S
E
Q
A
L
L
S
L
V
P
V
Q
R
E
L
L
R
R
R
Y
Q
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
87.37
35%
-45
- C3 -
1HYN
-
B3AT_HUMAN
P:
[56-323]
----------------------------------------------------------------------------------------------------------------
K
V
Y
--
V
E
L
Q
E
-
L
V
M
-
D
EK
N
Q
E
L
R
W
M
E
A
A
R
---
W
V
Q
L
E
E
N
L
G
E
N
G
-
A
W
G
R
P
H
L
S
H
L
T
F
W
S
L
L
E
-
L
R
R
V
F
T
K
G
T
-
V
L
L
D
----
L
Q
E
T
S
L
A
G
V
A
N
Q
L
L
D
R
F
I
F
E
D
Q
I
R
P
Q
D
---------
R
E
E
L
L
R
A
L
L
L
K
-
H
S
H
A
G
E
L
------
E
A
L
G
G
V
K
P
A
V
L
T
R
S
G
D
P
S
Q
--------
P
L
L
PQ
H
S
S
-
L
-
E
T
Q
L
F
C
E
Q
G
D
G
G
T
E
G
H
S
P
S
-----------------
G
I
L
E
K
I
P
P
D
S
E
A
T
L
V
L
V
G
R
A
D
---
F
-
L
E
Q
P
V
L
G
F
V
R
L
Q
E
A
A
E
L
E
A
V
-
E
--
L
P
V
P
I
R
F
L
F
V
L
L
G
P
E
A
P
H
I
D
Y
T
-
Q
L
G
R
A
A
A
T
L
M
S
E
R
V
F
R
I
D
A
Y
M
A
Q
S
R
G
E
L
L
H
S
L
E
G
F
L
D
C
S
L
V
L
P
P
-----
T
D
A
P
S
E
Q
A
L
L
S
L
V
P
V
Q
R
E
L
L
R
R
R
Y
Q
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
HHSearch
85.38
30%
-46
- C3 -
1HYN
-
B3AT_HUMAN
P:
[56-348]
----------------------------------------------------------------------------------------------------------------
K
V
Y
--
V
E
L
Q
E
L
V
M
D
E
K
--
N
Q
E
L
R
W
M
E
A
A
R
---
W
V
Q
L
E
E
N
L
G
E
-
N
G
A
W
G
R
P
H
L
S
H
L
T
F
W
S
L
L
E
-
L
R
R
V
F
T
K
G
T
-
V
L
L
D
----
L
Q
E
T
S
L
A
G
V
A
N
Q
L
L
D
R
F
I
F
E
D
Q
I
R
P
Q
D
---------
R
E
E
L
L
R
A
L
L
L
K
-
H
S
H
A
G
E
L
E
A
L
---
G
G
---
V
K
P
A
V
-------
L
T
R
-
S
G
D
PS
Q
P
L
L
--
P
Q
----
H
S
--
S
L
E
---
T
Q
L
F
C
--------
E
Q
G
D
G
G
T
E
G
H
S
P
S
G
I
L
E
K
I
P
P
D
S
E
A
T
L
V
L
V
G
R
A
D
---
F
-
L
E
Q
P
V
L
G
F
V
R
L
Q
E
A
A
E
L
E
A
-
V
E
--
L
P
V
P
I
R
F
L
F
V
L
L
G
P
E
A
P
H
I
D
Y
T
-
Q
L
G
R
A
A
A
T
L
M
S
E
R
V
F
R
I
D
A
Y
M
A
Q
S
R
G
E
L
L
H
S
L
E
G
F
L
D
C
S
L
V
L
P
P
-----
T
D
A
P
S
E
Q
A
L
L
S
L
V
P
V
Q
R
E
L
L
R
R
R
Y
Q
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
84.99
36%
-50
- C3 -
4KY9
-
B3AT_HUMAN
A:
[7-273]
-----------------------------------------------------------------------------------------------------------------
V
Y
--
V
E
L
Q
E
-
L
V
M
-
D
EK
N
Q
E
L
R
W
M
E
A
A
R
---
W
V
Q
L
E
E
N
L
G
E
N
G
A
-
W
G
R
P
H
L
S
H
L
T
F
W
S
L
L
E
-
L
R
R
V
F
T
K
G
T
-
V
L
L
D
----
L
Q
E
T
S
L
A
G
V
A
N
Q
L
L
D
R
F
I
F
E
D
Q
I
R
P
Q
D
---------
R
E
E
L
L
R
A
L
L
L
K
-
H
S
H
A
G
E
L
------
E
A
L
G
G
V
K
P
A
V
L
T
R
---
P
S
Q
--------
P
L
L
PQ
H
S
S
-
L
-
E
T
Q
L
F
C
E
--------------------------------
E
K
I
P
P
D
S
E
A
T
L
V
L
V
G
R
A
D
---
F
-
L
E
Q
P
V
L
G
F
V
R
L
Q
E
A
A
E
L
E
A
V
-
E
--
L
P
V
P
I
R
F
L
F
V
L
L
G
P
E
A
P
H
I
D
Y
T
-
Q
L
G
R
A
A
A
T
L
M
S
E
R
V
F
R
I
D
A
Y
M
A
Q
S
R
G
E
L
L
H
S
L
E
G
F
L
D
C
S
L
V
L
P
P
-----
T
D
A
P
S
E
Q
A
L
L
S
L
V
P
V
Q
R
E
L
L
R
R
R
Y
Q
S
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
Fugue
63.83
12%
-3
* C2 *
4ADY
-
RPN2_YEAST
A:
[4-924]
---
T
T
A
A
P
L
L
A
L
L
R
-----------------------------
E
N
Q
D
S
V
K
T
Y
A
L
E
S
I
N
N
V
V
--
D
Q
L
W
S
E
I
S
N
E
L
P
D
I
E
A
L
Y
D
D
D
T
F
S
D
R
E
M
A
A
L
I
A
S
K
V
Y
Y
N
L
G
E
Y
E
S
A
V
K
Y
A
L
A
A
K
D
R
F
D
I
-
D
E
K
-
S
--
Q
F
V
E
T
I
V
S
K
S
I
E
M
Y
V
Q
E
A
S
K
Q
Y
T
K
D
E
Q
F
Y
T
K
D
I
I
D
P
K
L
T
S
I
F
E
R
M
I
E
K
C
L
K
A
S
E
-----------------------
L
K
L
A
L
G
I
A
L
E
G
Y
R
---------
L
D
I
I
E
S
A
L
K
S
K
-
L
D
Q
S
T
S
E
N
V
K
---
I
I
N
Y
L
L
T
L
A
I
T
T
V
T
N
S
K
F
R
S
-
S
I
L
--
R
K
S
F
--
D
F
L
M
N
M
P
--------------
N
C
D
Y
L
T
L
N
K
V
V
V
N
L
N
D
A
G
L
A
L
Q
L
F
K
K
L
K
E
E
N
D
E
G
L
S
A
Q
I
A
F
D
---
L
-
V
S
S
A
S
Q
Q
L
L
E
I
L
V
T
E
L
T
A
Q
------
G
Y
D
P
A
L
L
N
I
L
S
G
----------
L
P
T
C
D
Y
Y
N
T
F
L
L
N
N
K
N
I
D
I
G
L
L
N
K
S
K
S
S
L
D
G
K
F
S
L
F
H
T
A
V
S
V
A
N
G
F
M
H
A
G
T
T
D
N
S
F
I
K
A
N
L
P
W
L
G
K
A
Q
N
W
A
K
F
T
A
T
A
S
L
G
V
I
H
K
G
N
L
L
E
G
K
K
V
M
A
P
Y
L
P
G
S
R
A
S
S
R
F
I
K
G
G
S
L
Y
G
L
G
L
I
Y
A
G
F
G
-------------------
R
D
T
T
D
Y
L
K
N
I
I
V
E
N
S
G
T
S
G
D
------
E
D
V
D
V
L
L
H
G
A
S
L
G
I
G
L
A
A
M
G
S
A
N
I
E
V
Y
E
A
L
K
E
V
L
Y
N
--
D
S
A
T
S
G
E
A
A
A
L
-----
G
M
G
L
C
M
L
G
T
G
K
P
E
A
I
H
D
M
F
T
Y
S
Q
E
T
Q
H
---------------------
G
N
I
T
R
----
G
L
A
V
G
L
A
L
I
N
Y
G
R
Q
E
L
A
D
D
L
I
T
K
M
L
A
S
D
E
S
L
L
R
Y
G
G
A
F
T
I
A
L
A
Y
A
G
-------------------------------
T
G
N
N
S
A
V
K
R
L
L
H
V
A
V
S
D
S
N
-------------------
D
D
V
R
R
A
A
V
I
A
L
G
F
V
L
-----------
L
R
D
Y
T
T
V
P
R
I
V
Q
L
L
S
K
S
H
N
A
H
V
R
C
G
T
A
F
A
L
G
I
A
C
A
---
G
K
G
L
Q
S
A
I
D
V
L
D
P
L
T
K
D
P
V
D
F
V
R
Q
A
----------------
A
M
I
A
L
S
M
I
L
I
Q
Q
T
E
K
L
N
P
Q
V
A
D
I
N
K
N
F
L
-
S
V
I
T
N
K
H
Q
E
-----
G
L
A
K
F
G
A
C
V
A
Q
G
I
M
N
A
G
G
R
N
V
T
I
Q
L
E
N
A
D
T
-----------------
G
T
L
D
T
K
S
V
V
----
G
L
-
V
M
F
S
Q
F
W
Y
W
------------
F
P
L
A
H
F
L
S
L
S
F
-
T
P
T
T
V
I
G
I
R
G
S
D
Q
A
I
P
K
F
Q
M
N
C
Y
A
K
E
-----
D
A
F
S
Y
P
R
M
K
Y
S
S
K
P
----------------------------
Y
K
V
D
N
M
T
R
I
L
P
-----------------------------
Q
Q
S
R
Y
I
S
F
I
K
D
D
R
F
V
P
V
R
K
F
K
G
N
N
G
V
V
V
L
R
D
R
E
P
K
E
P
V
A
L
I
E
T
V
R
Q
M
K
D
----------------
23
HHSearch
60.53
19%
-40
- C3 -
1A6J
1
PTSN_ECOLI
A:
[8-157]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
Q
-
L
S
S
V
L
N
R
E
C
-
T
R
S
R
----
V
H
C
Q
S
K
K
R
A
L
E
I
I
S
E
L
A
A
K
Q
L
S
L
P
------------
P
Q
V
V
F
E
A
I
L
T
R
-
E
K
M
G
--------------------------
S
T
G
-
I
G
N
--------------------
G
--------------------------------
I
A
I
P
H
---------
G
K
L
E
E--
D
-
T
L
R
A
V
G
V
F
V
Q
L
E
T
P
I
A
F
D
A
I
D
N
----
Q
P
V
D
L
L
F
A
L
L
V
P
A
D
Q
T
K
T
H
L
-
H
T
L
S
L
V
A
K
R
L
A
D
K
T
I
C
R
R
L
R
A
A
Q
S
D
E
E
L
Y
Q
I
I
T
D
T
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
60.48
19%
-53
- C3 -
2A0J
-
?
A:
[4-147]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
G
E
I
L
P
L
S
H
-
I
V
L
D
----
M
E
V
G
S
K
K
R
L
F
E
E
A
G
L
L
L
E
R
E
S
S
L
S
------------
H
A
D
V
F
E
C
L
F
A
R
-
E
K
L
G
--------------------------
S
T
G
-
L
G
Q
--------------------
G
--------------------------------
V
A
I
P
H
---------
G
R
H
A
---
G
-
V
K
Q
A
T
G
A
F
I
R
T
R
E
P
V
G
F
D
A
P
D
G
----
K
P
V
S
L
I
F
I
L
L
V
P
E
N
A
T
G
E
H
L
-
E
V
L
S
K
L
A
G
K
F
S
Q
K
S
I
R
E
S
L
M
T
V
S
S
A
E
E
V
R
A
I
L
T
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
60.18
23%
-42
* C3 *
3URR
3
?
A:
[2-152]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
M
N
R
-
L
A
K
I
L
P
L
E
N
-
V
V
I
G
----
L
S
V
T
S
K
K
R
V
F
E
Q
A
G
L
I
F
E
N
Q
N
G
I
A
------------
R
S
T
V
T
D
N
L
F
A
R
-
E
R
L
G
--------------------------
S
T
G
-
L
G
E
--------------------
G
--------------------------------
V
A
I
P
H
---------
G
R
I
K
---
G
-
L
K
H
P
L
A
A
F
V
R
L
A
E
P
I
P
F
E
A
P
D
G
----
Q
P
V
S
L
L
I
F
L
L
V
P
E
Q
A
T
Q
A
H
L
-
E
I
L
S
E
I
A
Q
L
L
S
D
R
D
T
R
E
R
L
H
T
E
P
D
R
D
E
L
H
R
L
L
T
Q
W
Q
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
53.45
13%
-49
- C3 -
3BJV
-
?
A:
[3-149]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
A
Q
A
F
K
E
N
H
S
I
R
L
G
----
L
T
A
K
D
W
K
E
A
V
K
L
S
V
T
P
L
I
E
S
G
A
V
-------------
K
P
E
Y
Y
N
A
I
I
E
S
T
E
S
Y
G
--------------------------
P
Y
Y
I
L
M
P
--------------------
G
--------------------------------
M
A
M
P
H
---------
A
R
P
E
A--
G
-
V
Q
R
D
A
F
S
L
V
T
L
T
E
P
V
T
F
T
D
--
G
----
K
E
V
Q
V
L
L
A
L
A
A
T
S
S
--
K
I
H
T
S
V
A
I
P
Q
I
I
A
L
F
E
L
D
H
S
I
E
R
L
V
N
C
K
T
P
E
E
V
L
A
M
V
E
E
S
K
S
S
P
Y
L
E
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
52.02
15%
-45
- C3 -
3OXP
-
?
A:
[4-150]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
-
L
K
T
L
L
T
S
D
V
-
I
Q
V
V
----
S
Q
A
K
D
W
R
D
A
I
A
I
S
C
Q
P
L
I
D
N
G
A
V
E
-------------
A
R
Y
V
E
A
I
Y
R
S
H
E
A
I
G
--------------------------
P
Y
Y
V
V
G
P
--------------------
G
--------------------------------
I
A
M
P
H
---------
A
R
P
E
D--
G
-
V
N
R
L
S
L
A
L
T
V
I
T
E
G
V
T
F
N
A
E
G
N
----
D
P
V
K
L
L
I
V
L
A
A
T
D
S
--
N
S
H
I
-
E
A
I
S
Q
L
A
Q
L
F
D
T
A
S
D
V
Q
A
L
L
N
A
K
T
P
Q
D
I
L
S
V
I
A
R
Y
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
51.95
12%
-35
- C3 -
2OQ3
-
PTMA_ECOLI
A:
[2-146]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
-
L
S
D
Y
F
P
E
S
S
-
I
S
V
I
----
H
S
A
K
D
W
Q
E
A
I
D
F
S
M
V
S
L
L
D
K
N
Y
I
-------------
S
E
N
Y
I
Q
A
I
K
D
S
-
T
I
N
N
G
P
------------------------
Y
Y
I
-
L
A
P
--------------------
G
--------------------------------
V
A
M
P
H
---------
A
R
P
E
---
C
G
A
L
K
T
G
M
S
L
T
L
L
E
Q
G
V
Y
F
P
G
N
D
-----
E
P
I
K
L
L
I
G
L
S
A
A
D
A
--
D
S
H
I
-
G
A
I
Q
A
L
S
E
L
L
C
E
E
E
I
L
E
Q
L
L
T
A
S
S
E
K
Q
L
A
D
I
I
S
R
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
51.24
15%
-120
- C3 -
3QE7
2
URAA_ECOLI
A:
[41-341]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
N
P
A
T
V
L
L
F
N
G
I
G
T
L
L
Y
L
F
I
C
K
G
K
I
-
P
A
Y
-
L
G
S
S
F
A
F
I
S
----
P
V
L
L
L
L
-
P
L
G
Y
E
---
V
A
L
G
G
F
I
M
C
G
V
L
F
C
L
V
S
F
I
V
K
K
A
G
T
G
W
L
D
V
L
F
P
P
A
A
M
G
A
I
V
A
V
I
G
L
-
E
L
A
G
V
A
A
G
M
A
G
L
----
L
P
A
E
--------------------
G
-----------------------------------------------------
Q
T
P
D
S
K
T
I
I
I
S
I
T
T
L
A
V
T
V
L
G
S
V
L
F
R
G
---------
F
L
A
I
I
--
P
I
L
I
G
V
L
V
G
Y
A
L
S
F
A
M
G
I
V
D
T
T
-
P
I
I
--------
N
A
H
W
F
A
L
P
T
L
Y
T
P
R
--
F
E
-
W
F
A
I
L
T
I
-
L
P
A
A
-
L
V
V
I
A
E
H
V
G
H
L
V
V
T
A
N
I
V
K
K
D
L
L
R
D
P
G
L
H
R
S
M
F
A
N
G
L
S
T
V
I
S
G
F
F
G
S
T
P
-
N
T
T
Y
G
E
N
I
G
V
M
A
I
T
R
---------
V
---------
Y
S
T
W
V
I
G
G
----
A
A
-
I
-
F
A
I
L
L
S
C
V
G
K
L
A
A
A
I
Q
M
I
P
L
P
V
M
G
G
V
S
L
L
L
-
Y
G
V
I
G
A
S
G
I
R
V
L
I
E
S
K
V
D
Y
-
N
K
A
Q
N
L
I
L
T
S
V
I
L
I
I
G
V
S
-
G
A
K
V
N
I
G
A
A
E
L
K
G
M
A
L
A
T
I
V
G
I
G
L
S
L
I
F
K
L
I
S
-----------------------------------------------------------------------------------------------------------
26
HHSearch
51.01
10%
-46
- C3 -
1A3A
-
PTM3C_ECOLI
A:
[4-147]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
F
K
L
G
A
E
N
-
I
F
L
G
----
R
K
A
A
T
K
E
E
A
I
R
F
A
G
E
Q
L
V
K
G
G
Y
V
E
-------------
P
E
Y
V
Q
A
M
L
D
R
-
E
K
L
T
--------------------------
P
T
Y
-
L
G
E
--------------------
S
--------------------------------
I
A
V
P
H
---------
G
T
V
E
AKD
R
-
V
L
K
T
G
V
V
F
C
Q
Y
P
E
G
V
R
F
G
E
E
E
D
----
D
I
A
R
L
V
I
G
I
A
A
R
N
N
---
E
H
I
-
Q
V
I
T
S
L
T
N
A
L
D
D
E
S
V
I
E
R
L
A
H
T
T
S
V
D
E
V
L
E
L
L
A
G
R
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
50.21
18%
-28
- C3 -
3T43
-
?
A:
[3-140]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
Q
N
D
I
I
K
A
L
A
S
P
L
I
N
D
G
M
V
-------------
V
S
D
F
A
D
H
V
I
T
R
-
E
Q
N
A
--------------------------
P
T
G
-
L
P
V
--------------
E
---
P
V
G
--------------------------------
V
A
I
P
H
---------
T
D
S
K
---
Y
-
V
R
Q
N
A
I
S
V
G
I
L
A
E
P
V
N
F
E
D
A
G
G
EP
D
P
V
P
V
R
V
V
F
M
L
A
L
G
N
W
--
F
D
I
T
-
N
V
L
W
W
I
M
D
V
I
Q
D
A
D
F
M
Q
Q
L
L
V
M
N
D
D
-
E
I
Y
Q
S
I
Y
T
R
I
S
E
A
A
G
M
A
G
-----
I
H
F
R
R
H
Y
V
R
H
L
P
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
39.13
26%
121
- C4 -
2H02
1
PTPRB_HUMAN
A:
[134-245]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
V
H
N
I
V
M
-
V
T
Q
C
V
E
K
G
R
-
V
K
C
D
HYWP
A
D
Q
D
S
L
--
Y
Y
G
D
L
I
L
Q
M
L
S
E
S
V
L
-
P
E
W
T
I
R
E
F
K
I
C
G
E
-----
H
R
L
I
R
-
H
F
H
Y
T
V
W
P
D
H
GVP
E
T
T
Q
S
L
I
Q
F
V
R
T
V
R
D
Y
I
N
R
S
-
P
G
A
--
G
P
T
V
--
V
H
C
-
S
-
A
G
V
G
R
T
G
T
F
I
A
L
D
R
I
L
Q
Q
L
D
S
K
D
S
V
D
I
Y
G
A
V
H
D
L
R
L
H
R
V
H
M
V
Q
T
E
C
Q
Y
V
Y
L
H
Q
C
V
R
D
---
V
-
L
R
A
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
38.93
26%
118
- C4 -
2I4G
1
A:
[134-245]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
V
H
N
I
V
M
-
V
T
Q
C
V
E
K
G
R
-
V
K
C
D
HYWP
A
D
Q
D
S
L
--
Y
Y
G
D
L
I
L
Q
M
L
S
E
S
V
L
-
P
E
W
T
I
R
E
F
K
I
C
G
E
E
Q
L
D
A
H
R
L
I
R
-
H
F
H
Y
T
V
W
P
D
H
GVP
E
T
T
Q
S
L
I
Q
F
V
R
T
V
R
D
Y
I
N
R
S
-
P
G
A
--
G
P
T
V
--
V
H
C
-
S
-
A
G
V
G
R
T
G
T
F
I
A
L
D
R
I
L
Q
Q
L
D
S
K
D
S
V
D
I
Y
G
A
V
H
D
L
R
L
H
R
V
H
M
V
Q
T
E
C
Q
Y
V
Y
L
H
Q
C
V
R
D
---
V
-
L
R
A
R
K
L
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
38.68
26%
130
- C4 -
2I4E
-
PTPRB_HUMAN
A:
[134-245]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
V
H
N
I
V
M
-
V
T
Q
C
V
E
K
G
R
-
V
K
C
D
HYWP
A
D
Q
D
S
L
--
Y
Y
G
D
L
I
L
Q
M
L
S
E
S
V
L
-
P
E
W
T
I
R
E
F
K
I
C
G
E
------
R
L
I
R
-
H
F
H
Y
T
V
W
P
D
H
GVP
E
T
T
Q
S
L
I
Q
F
V
R
T
V
R
D
Y
I
N
R
S
-
P
G
A
--
G
P
T
V
--
V
H
C
-
S
-
A
G
V
G
R
T
G
T
F
I
A
L
D
R
I
L
Q
Q
L
D
S
K
D
S
V
D
I
Y
G
A
V
H
D
L
R
L
H
R
V
H
M
V
Q
T
E
C
Q
Y
V
Y
L
H
Q
C
V
R
D
---
V
-
L
R
A
R
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
38.62
26%
125
- C4 -
2I4H
1
A:
[134-245]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
V
H
N
I
V
M
-
V
T
Q
C
V
E
K
G
R
-
V
K
C
D
HYWP
A
D
Q
D
S
L
--
Y
Y
G
D
L
I
L
Q
M
L
S
E
S
V
L
-
P
E
W
T
I
R
E
F
K
I
C-------
H
R
L
I
R
-
H
F
H
Y
T
V
W
P
D
H
GVP
E
T
T
Q
S
L
I
Q
F
V
R
T
V
R
D
Y
I
N
R
S
-
P
G
A
--
G
P
T
V
--
V
H
C
-
S
-
A
G
V
G
R
T
G
T
F
I
A
L
D
R
I
L
Q
Q
L
D
S
K
D
S
V
D
I
Y
G
A
V
H
D
L
R
L
H
R
V
H
M
V
Q
T
E
C
Q
Y
V
Y
L
H
Q
C
V
R
D
---
V
-
L
R
A
R
K
L
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
38.53
25%
-4
- C3 -
3QE7
2
URAA_ECOLI
A:
[212-352]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
W
F
A
L
P
T
L
Y
T
P
R
F
E
W
F
A
I
L
T
I
L
P
A
-
A
L
V
V
-
I
A
E
H
V
G
H
L
V
V
T
A
N
I
V
K
K
D
--
L
-
L
R
D
P
G
L
H
R
S
M
F
A
N
G
L
S
T
V
I
S
G
F
F
G
---------------------
S
T
P
N
T
T
Y
G
E
N
I
G
V
M
A
I
T
R
V
Y
S
T
W
V
I
G
G
A
A
I
F
A
I
-
L
L
S
C
V
G
K
---
L
A
A
A
I
Q
M
I
P
L
P
V
M
G
G
V
S
L
L
L
Y
G
V
I
G
A
S
G
I
R
V
L
I
E
S
K
V
D
Y
N
-
K
A
Q
N
L
I
L
T
S
V
I
L
I
I
G
V
S
G
-
A
K
V
N
I
G
A
A
E
L
K
G
M
A
L
A
T
I
V
G
I
G
L
S
L
I
F
K
L
I
S
------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
38.43
26%
128
- C4 -
2H04
1
A:
[134-245]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
V
H
N
I
V
M
-
V
T
Q
C
V
E
K
G
R
-
V
K
C
D
HYWP
A
D
Q
D
S
L
--
Y
Y
G
D
L
I
L
Q
M
L
S
E
S
V
L
-
P
E
W
T
I
R
E
F
K
I
C
G
E
-----
H
R
L
I
R
-
H
F
H
Y
T
V
W
P
D
H
GVP
E
T
T
Q
S
L
I
Q
F
V
R
T
V
R
D
Y
I
N
R
S
-
P
G
A
--
G
P
T
V
--
V
H
C
-
S
-
A
G
V
G
R
T
G
T
F
I
A
L
D
R
I
L
Q
Q
L
D
S
K
D
S
V
D
I
Y
G
A
V
H
D
L
R
L
H
R
V
H
M
V
Q
T
E
C
Q
Y
V
Y
L
H
Q
C
V
R
D
---
V
-
L
R
A
R
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------