@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 : T0830: (2014-06-24 )
MPQPTSQQRASVASSQSTQGAVGWSAATGWVVLFVAVALVVWFVSLDMRHLVGPDEGRYAEISREMFASGDWVTIRYNALKYFEKPPFHMWVTVVGYELFGLGEWQARLAVALSGLLGIGVSMMAARRWFGARAAAFTGLALLAAPMWSVAAHFNTLDMTLAGVMSCVLAFMLMGQHPDASVAARRGWMVACWAAMGVAILTKGLVGIALPGLVLVVYTLVTRDWGLWRRLHLALGVVVMLVITVPWFYLVSVRNPEFPNFFFIHEHWQRYTSNIHSRSGSVFYFLPLVIGGFLPWAGIFPKLWTAMRAPVEGTQARFRPALMAGIWAIAIFVFFSISRSKLPGYIVPVIPALGILAGVALDRLSPRSWGKQLIGMAIVAACGLLASPVVATLNANHIPNSFYRAYAVWVAVAFVVMLLGIAVARLLLRRGVLPSVAVYAMGMYLGFTVALLGHETVGRPASGADIAPQIAQKLTPEMPLYGVQMLDHTLPFYLRHPLMMVGQADELTFGATVEPQRVVPDVDSFTKLWKNGQPAMAVMSPDTYLALAPTLSMYVVARDWRRVVVANVASLAGPQ
Atome Classification :
(19 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...----
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---MPQP
T
S
Q
Q
R
A
S
VASSQSTQGAVGWSA
A
T
G
-
W
V
V
L
F
V
A
V
A
L
V
V
W
F
V
S
L
--------
D
M
R
H
LV-GPDEG
R
Y
A
E
I
S
R
E
-------
M
FASG---
D
W
V
T
--
I
R
Y
N
A
--
L
K
Y
FEKPP
F
H
M
W
V
T
V
V
G
Y
E
LFGL
G
E
-----
W
Q
A
-
R
L
A
V
A
L
S
G
L
L
-----
G
I
G
V
S
-
M
M
A
A
R
R
W
FG
A
--
R
A
A
A
F
T
G
L
A
L
L
A
A
P
M
-
W
--
S
V
---
A
A
HF
N
--
T
L
D
M
T
L
A
G
V
-
M
S
C
V
L
A
F
M
LMGQHP
D
A
S
---
V
A
A
RRG
W
M
V
A
C
W
A
A
M
G
V
A
I
L
T
K
G
L
V
G
I
---
A
L
P
G
L
V
L
V
V
Y
T
L
V
TR
D
W
G
--
L
W
R
R
L
-
H
L
A
L
G
V
V
----
V
M
L
V
IT------VP
W
F
Y
L
V
SVRNPEFP
N
F
F
F
I
H
E
H
W
Q
R
Y
T
S
N
IHSRSG
S
V
F
Y
F
L
----
P
L
V
IGGFL-------
P
--
W
A
G
I
F
P
K
L
W
T
A
M
RAPVEGT
Q
A
R
F
R
P
A
L
M
A
G
--
I
W
A
I
A
I
F
V
F
F
SISRSKLP
G
Y
I
V
P
V
I
P
A
L
G
I
L
A
G
V
A
L
DRL
S
-
P
R
S
W
------
G
K
Q
L
-
I
G
M
A
I
V
A
A
C
G
--
L
L
A
S
P
V
V
A
TLNAN--H--I
P
N
S
F
Y
R
A
Y
A
-----------------
V
W
V
A
V
A
F
V
V
M
L
L
G
---------------
I
A
V
A
-
R
L
L
L
RRGV
L
P
S
V
A
V
Y
A
M
G
M
Y
L
G
F
T
V
---
A
L
L------GHETVGR---P--AS---GA
D
I
A
P
Q
I
A
Q
KLT-------PE---------------MP
L
--
Y
G
V
Q
M
L
D
H
T
L
P
F
Y
----------------------------
L
RH
P
L
M
MVG------QADELTFGATV
E
P
Q
R-VVP
D
V
D
S
F
T
K
L
W
KNGQ
P
A
--------
M
A
V
MSPD---
T
Y
L
A
LA-----PT
L
--
S
M
Y
V
V
A
--------
R
D
W
R
----
R
V
V
V
A
N
V
A
S
LAGPQ----
4
Fugue
94.98
16%
-122
- C4 -
2GMH
14
ETFD_PIG
A:
[4-584]
-CK
V
P
R
I
T
T
H
Y
T
I
Y
P
R
D
Q
D
K
R
W
E
G
V
N
M
E
R
F
A
E
E
A
D
V
V
I
V
G
A
G
P
A
G
L
S
A
A
T
--------
R
L
K
Q
L
A
-
A
Q
H
E
K
D
L
R
V
C
L
V
E
KAAHIGA
H
T
L
S
G
---
A
C
L
D
P
R
A
F
E
E
L
--
F
P
D
W
K
E
K
G
A
P
L
N
T
P
V
T
E
D
R
F
G
I
L
T
E
-----
K
Y
R
-
I
P
V
P
I
L
P
G
L
P
MNNHG
N
Y
V
V
R
-
L
G
H
L
V
S
W
M
G
E
--
Q
A
E
A
---
L
G
V
E
V
Y
P
G
-
Y
--
A
A
---
A
E
I
L
F
--
H
E
D
G
S
V
K
G
I
-
A
T
-----
N
D
V
G
I
Q
K
D
G
A
-----
P
K
T
T
F
E
R
G
L
E
L
H
A
K
V
T
I
F
A
E
G
C
H
G
-----------
H
L
A
K
Q
L
Y
K
K
F
D
--
L
R
A
N
C
E
P
Q
T
Y
G
I
G
----
L
K
E
L
W
V
------
I
D
--------
E
K
K
W
K
P
G
R
V
D
H
T
V
--
G
W
P
L
D
R
H
T
Y
G
G
S
F
L
Y
H
L
NEGE
P
L
L
A
L
G
F
V
V
G
LDYQN
P
--
Y
L
S
P
F
R
E
F
Q
R
W
K
H
H
P
S
I
K
P
T
L
E
G
G
K
R
I
A
Y
G
--
A
R
A
L
N
E
G
G
F
Q
S
I
P
K
L
T
F
P
G
---------
G
L
L
I
G
C
S
P
G
F
M
N
-
V
P
----------
K
I
-
K
G
T
H
T
A
M
K
S
G
--
T
L
A
A
E
S
I
F
N
Q
L
T
S
--
E
--
N
L
Q
S
K
T
I
G
L
H
-----------------
V
---
T
E
Y
E
D
N
L
K
N
---------------
S
W
V
W
-
K
E
L
Y
S
V
R
N
I
R
P
S
C
H
G
I
L
G
V
Y
G
G
M
I
Y
---
T
G
I
FYWIFR
G
M
E
P
W
T
L
---
K
--
H
K
---
G
S
D
S
D
---
Q
L
K
P
A
-------
K
D
---------------
C
T
P
--
I
E
Y
P
K
P
D
G
Q
I
S
F
D
----------------------------
L
L
S
S
V
A
L
S
G
TNHEHD
Q
P
A
H
L
T
L
K
D
D
S
V
P
V
N
R
N
L
S
I
Y
D
G
P
E
Q
R
F
C
P
A
G
V
Y
--------
E
F
V
P
L
E
Q
G
D
G
F
R
L
Q
I
N
-----
A
Q
N
--
C
V
H
C
K
T
--------
C
D
I
K
DPSQ
N
I
N
W
V
V
P
E
G
G
G
G
P
A
YNGM
10
Fugue
87.04
11%
-118
- C4 -
3RCE
-
PGLB_CAMLR
A:
[2-711]
---
E
L
Q
Q
N
F
T
D
N
N
S
I
K
Y
T
C
I
L
I
L
I
A
F
A
F
S
V
L
C
-
R
L
Y
W
V
A
W
A
S
E
F
Y
E
F
F
F
N
--------
D
Q
L
M
I
T
-
T
N
D
G
Y
A
F
A
E
G
A
R
D
-------
M
I
A
G
-------
F
--
H
Q
P
N
D
--
L
S
Y
F
G
S
S
L
S
T
L
T
Y
W
L
Y
S
I
L
P
F
S
F
E
S
-----
I
I
L
-
Y
M
S
T
F
F
A
S
L
I
-----
V
V
P
I
I
-
L
I
A
R
E
Y
K
L
T
T
--
Y
G
F
I
A
A
L
L
G
S
I
A
N
S
Y
-
Y
N
R
T
M
---
S
G
Y
Y
D
--
T
D
M
L
V
L
V
L
P
-
M
L
I
L
L
T
F
I
R
L
T
I
N
K
D
I
F
---
T
L
L
L
S
P
I
F
I
M
I
Y
L
W
W
Y
P
S
S
Y
S
L
N
F
A
M
I
---
G
L
F
G
L
Y
T
L
V
F
H
R
K
E
K
I
F
Y
--
L
A
I
A
L
-
M
I
I
A
L
S
M
LA
W
Q
Y
K
L
A
L
I
------
V
L
L
F
A
I
F
A
F
K
E
E
K
I
N
F
Y
M
I
W
A
L
I
F
I
S
I
S
I
L
H
L
S
G
G
A
F
M
Y
F
N
V
----
N
E
T
I
M
E
V
N
-------
T
ID
P
E
V
F
M
Q
R
I
S
S
S
V
L
V
F
I
L
S
F
I
G
F
I
L
L
C
K
D
H
K
S
M
L
L
A
L
P
M
L
A
L
G
F
M
A
L
R
A
G
L
R
F
T
I
Y
A
V
P
V
M
A
L
G
F
G
Y
F
L
Y
A
F
F
-
N
F
L
E
KKQIKL
S
L
R
N
-
K
N
I
L
L
I
L
I
A
F
--
F
S
I
S
P
A
L
M
H
I
Y
Y
Y
--
K
--
S
S
T
V
F
T
S
Y
E
A
S
I
L
N
D
L
K
N
K
A
QRE
D
Y
V
V
A
W
W
D
Y
G
Y
P
I
R
Y
Y
S
DVKTLIDGGKHLGKD
N
F
F
S
-
S
F
V
L
S
K
E
Q
I
P
A
A
N
M
A
R
L
S
V
E
Y
T
E
K
S
---
F
K
E
------
N
Y
P
D
V
L
K
---
A
--
M
V
K
D
Y
N
Q
T
S
A
K
D
F
L
E
S
L
N
-------
D
K
NFKFD
T
N
K
T
R
D
V
Y
I
Y
M
P
Y
--
R
M
L
R
I
M
P
V
V
A
Q
F
A
N
TNPDNGEQEKS
L
F
F
S
Q
A
N
A
I
A
QDG
S
V
M
L
D
N
G
V
E
I
I
N
------
D
F
R
A
L
K
V
E
G
A
S
I
P
L
K
-
A
F
V
D
I
E
S
I
T
N
G
K
F
Y
Y
N
E
I
DSKAQ
I
Y
L
L
F
L
R
E
Y
K
---
S
F
V
I
L
D
-----
E
S
L
Y
N
S
A
Y
I
Q
M
F
L
LNQYDQ
D
L
F
E
----
Q
V
T
N
D
T
R
A
K
I
Y
R
L
K
----
7
Fugue
79.97
12%
-126
- C4 -
3ORG
-
?
A:
[3-625]
-------------------------
S
L
M
Y
L
L
R
-
L
V
C
F
L
T
L
L
G
V
T
A
A
L
F
I
F
--------
A
V
D
L
A
V
-
H
G
L
E
E
L
R
M
K
I
S
R
L
-------
A
G
R
F
A
---
G
Y
I
L
--
Y
V
V
S
G
--
V
A
L
C
L
L
--
S
T
F
W
C
A
V
L
S
T
E
A
E
G
S
G
-------
L
P
-
Q
M
K
S
I
L
S
G
F
------------
Y
D
K
M
R
S
A
L
E
L
--
R
V
L
F
A
K
A
L
G
L
I
C
A
I
G
-
G
--
G
L
---
P
V
G
W
E
--
G
P
N
V
H
I
A
C
I
-
I
A
H
Q
F
Y
R
L
G
V
F
K
E
L
C
T
D
----
R
A
L
R
L
Q
T
L
A
A
A
C
A
V
G
L
A
S
S
F
G
A
P
L
G
G
---
V
L
Y
S
I
E
T
I
A
S
F
Y
L
V
Q
--
A
--
F
W
K
G
V
-
L
S
A
L
S
G
A
----
I
V
Y
E
L
D
VSRTQT
L
L
Y
A
I
L
G
A
L
M
G
V
L
G
A
L
F
I
R
C
V
R
S
I
Y
E
L
R
M
R
H
Y
P
G
T
N
R
Y
F
L
V
G
----
V
V
A
L
F
A
S
A
-------
L
-----
Q
Y
P
F
P
R
A
T
I
N
D
L
F
K
A
V
T
E
L
I
L
M
P
I
I
K
F
--
I
L
V
A
L
S
I
G
L
------
P
L
P
A
G
V
F
V
P
S
F
L
I
G
A
G
F
G
R
L
Y
G
E
L
M
-
R
V
V
F
------
G
N
A
I
V
P
G
S
Y
A
V
V
G
A
A
--
A
F
T
A
G
V
T
R
A
L
S
C
A
--
V
--
I
I
F
E
V
T
G
Q
I
R
-----------------
H
L
V
P
V
L
I
S
V
L
L
A
V
---------------
I
V
G
N
-
A
F
--
N
R
S
L
Y
E
T
L
V
L
M
K
H
L
P
Y
M
P
I
L
R
---
R
D
R
------
S
P
E
M
T
A
R
---
E
--
I
M
---
H
P
I
E
G
E
P
H
L
F
P
D
S
-------
E
P
---------------
Q
H
I
--
K
G
I
L
E
K
F
P
N
R
L
V
F
P
V
--------------------------
I
D
A
N
G
Y
L
L
G
------
A
I
S
R
K
E
I
V
D
R
L
Q
H
V
V
-
V
P
C
D
V
S
P
I
V
V
T
S
Y
S
L
------------
V
R
Q
L
H
F
---
L
F
V
M
L
M
-----
P
S
M
--
I
Y
V
T
E
R
--------
G
K
L
V
----
G
I
V
E
R
E
D
V
A
Y
G
Y
S
N
----
3
Fugue
79.33
17%
-90
- C4 -
2I3O
-
?
D:
[2-516]
FRS
R
P
N
A
L
S
Q
R
S
V
I
A
S
S
S
E
L
A
S
L
A
G
R
D
I
L
K
R
G
-
G
N
I
F
D
A
A
L
A
V
S
A
L
C
V
T
Q
NNLCGLGG
D
L
F
A
L
I
-
R
D
E
N
G
Q
I
-----
D
-------
L
N
G
S
G
---
Q
--
A
--
S
R
A
V
S
--
I
D
Y
Y
E
S
---------------
G
L
T
K
-----
I
P
E
-
R
G
P
Y
A
A
I
T
V
P
-----
G
I
A
G
S
-
W
D
E
I
F
R
K
F
A
T
--
D
I
A
D
I
L
E
P
A
I
R
T
A
S
A
G
F
--
P
I
---
T
Q
N
Y
S
--
D
S
I
A
R
S
A
P
V
-
I
G
Q
Y
R
G
W
S
--
S
I
F
P
N
G
S
---
V
P
V
A
G
E
I
L
K
Q
P
D
L
A
E
S
F
R
L
S
E
E
G
F
R
S
F
---
Y
D
G
S
L
A
D
I
I
I
A
G
L
E
G
T
G
S
--
P
L
S
D
R
-
D
L
R
V
-----------------------
Y
R
P
L
I
G
K
P
V
F
T
D
L
----
D
E
F
R
I
Y
E
T
S
P
N
S
Q
G
I
T
V
I
E
W
I
----
R
G
-------------
E
--
S
H
G
Y
D
S
R
T
W
E
A
K
I
E
D
I
F
E
T
E
E
A
Y
D
K
R
R
K
---------------
I
T
D
P
S
Y
N
------
I
A
Q
H
D
S
A
N
G
K
G
L
P
K
R
D
-
H
N
D
------------
I
G
D
T
T
Y
F
S
I
S
--
D
S
E
G
R
S
V
S
I
I
Q
S
N
--
Y
--
G
F
G
S
G
I
---------------------
V
P
K
G
T
G
F
V
L
Q
N
R
G
---------------
S
Y
----
F
T
L
Q
R
D
H
P
N
A
L
P
G
K
R
T
F
H
T
L
A
A
C
V
---
E
K
-------
E
H
D
L
Y
A
S
---
L
--
G
S
---
G
G
D
I
Q
P
Q
V
Q
Q
I
L
E
ILKDNTD
P
Q
---------------
A
I
L
--
D
K
P
R
W
T
E
P
Y
T
I
Y
E
----------------------------
A
P
G
A
V
Y
V
E
S
------
E
E
L
Y
R
N
V
S
K
Q
I
S
G
R
K
-
V
V
L
R
--
D
V
S
Q
E
F
G
T
A
Q
I
T
--------
T
L
I
R
G
D
---------------------
V
V
V
G
A
--------
A
D
P
R
----
G
D
G
I
A
I
P
Y
S
---------
11
Fugue
74.19
16%
-116
- C4 -
1F60
-
EF1A_YEAST
A:
[2-441]
----
G
K
E
K
S
H
I
N
V
V
V
I
G
H
V
D
S
----
G
K
S
T
T
T
G
-
H
L
I
Y
K
C
G
G
I
D
K
R
T
I
E
K
F
--------
E
K
E
A
A
E
L
G
K
G
S
F
K
Y
A
W
V
L
D
K
-------
L
K
A
E
R
---
E
R
G
I
--
T
I
D
I
A
--
L
W
K
F
E
T
P
K
Y
Q
V
T
V
I
D
----------------------------------------------------------------
A
P
-----------
G
H
R
D
--
F
I
K
N
M
I
T
G
T
S
Q
A
D
C
A
I
L
I
I
A
G
G
V
G
E
F
E
---
A
G
I
S
K
D
G
Q
T
R
E
H
A
L
L
A
F
T
L
-----------
G
V
R
Q
L
I
V
A
V
N
K
M
D
S
V
K
W
D
--
E
S
R
F
Q
-
E
I
V
K
E
T
S
----
N
F
I
K
K
V
------
G
Y
--------
N
P
K
T
V
P
F
V
P
I
S
G
W
---
N
G
D
N
M
I
E
A
T
T
N
A
P
W
Y
-----------------------------
K
G
W
E
K
E
T
K
A
G
V
V
K
G
----
K
T
L
L
E
A
--
I
D
A
I
E
Q
P
S
R
P
T
D
K
P
L
R
L
P
L
Q
D
V
Y
K
I
G
G
I
G
T
V
P
V
G
R
V
E
---------------------------
T
G
--
V
I
K
P
G
M
V
V
T
F
A
P
A
--
G
-----------------------------------
V
T
T
E
V
K
S
---------------
V
E
M
H
-
H
E
Q
L
E
Q
G
V
P
--------
G
D
N
V
G
F
N
V
---
K
N
V
------
S
V
K
E
I
R
R
G
N
V
C
--
G
D
---
A
K
N
D
P
P
K
G
C
A
S
F
N
-------
A
T
---------------
V
I
V
L
N
H
P
G
Q
I
S
A
G
Y
S
P
V
L
----------------------------
D
C
H
T
A
H
I
A
C
------
R
F
D
E
L
L
E
K
N
D
R
R
S
G
K
-
K
L
E
D
---
H
P
K
F
L
K
S
G
D
A
A
--------
L
V
K
F
V
P
S
---
K
P
M
C
V
E
A
FSEY
P
P
L
--
G
R
F
A
V
R
--------
D
M
R
Q
----
T
V
A
V
G
V
I
K
S
V
D
K
------
6
Fugue
69.07
12%
-119
- C4 -
3MVE
8
Y328_VIBVU
A:
[20-415]
----
A
K
E
T
S
A
L
T
Q
Y
M
P
T
S
Q
S
L
L
D
E
I
K
E
K
N
G
F
S
-
W
---
Y
R
N
L
R
R
L
Q
W
---------------
V
W
Q
-
G
V
D
P
I
E
Q
E
Q
V
L
A
R
-------
I
A
S
S
K
-------------------
H
S
R
T
D
E
Q
W
L
D
T
V
M
G
Y
H
S
---
G
N
-----
W
A
Y
-
E
W
T
R
L
G
M
E
H
Q
-----
K
R
A
G
E
----------
M
--
T
N
E
A
A
S
E
A
L
F
S
A
S
L
C
-
Y
--
S
I
---
A
G
Y
P
H
-----------------------
L
K
S
D
N
L
---
A
I
Q
A
Q
V
L
A
N
S
A
Y
L
E
A
A
K
K
S
K
Y
----------------------------------------------
I
I
K
Q
L
E
------
I
P
F
------
E
K
G
K
I
T
A
H
L
H
L
T
N
T
D
K
P
-------------
H
P
V
----
V
I
V
S
A
G
L
---------------------------
D
S
L
Q
T
D
M
W
R
L
F
R
D
H
--
L
A
K
H
D
I
A
M
L
T
V
D
M
P
S
V
G
Y
S
S
K
Y
P
L
T
E
D
Y
S
R
L
H
Q
A
V
L
N
E
L
F
S
I
P
Y
V
------
D
H
H
R
-
V
G
L
I
G
F
R
F
G
G
--
N
A
M
V
R
L
S
F
L
E
Q
E
K
-------------------------------------
I
K
A
C
V
I
L
G
---------------
A
P
I
H
-
D
I
F
A
S
P
Q
K
L
Q
Q
M
P
----
K
M
Y
L
D
V
L
A
---
S
R
L
------
G
K
S
V
V
D
--------------------
I
Y
S
L
S
-------
G
Q
---------------
M
A
A
--
W
S
L
K
V
Q
G
F
L
S
S
R
K
----------------------------
T
K
V
P
I
L
A
M
S
------
L
E
G
D
P
V
S
--
P
Y
S
D
N
Q
-
M
V
A
F
F
S
T
Y
G
K
A
K
K
I
S
S
K
T
--------
I
T
Q
G
Y
E
Q
---
S
L
D
L
A
I
-----
K
W
L
--
E
D
E
L
L
R
----------------------------------
12
HHSearch
44.92
18%
-101
- C4 -
3WAJ
-
?
A:
[41-265]
------------------------------------------------------------
V
R
L
G
-
G
N
D
P
W
Y
Y
Y
R
L
I
E
N
-------
T
I
H
N
F
PHR
I
W
F
D
--
P
F
T
Y
Y
P
Y
G
S
Y
T
H
F
G
P
F
L
V
Y
L
G
S
I
A
G
I
I
F
S
A
T
S
G
E
S
L
R
A
V
L
-
A
F
I
P
A
I
G
G
V
L
-----
A
I
L
P
V
-
Y
L
L
T
R
E
V
F
D
K
--
R
A
A
V
I
A
A
F
L
I
A
I
V
P
G
-
Q
--
F
L
Q
R
S
I
L
G
F
N
--
D
H
H
I
W
E
A
F
W
-
Q
V
S
A
L
G
T
F
L
L
A
Y
N
R
W
K
G
HDL
T
A
R
Q
M
A
Y
P
V
I
A
G
I
T
I
G
L
Y
V
L
S
W
G
A
G
F
I
I
A
P
I
I
L
A
F
M
F
F
A
F
V
L
A
G
F
V
N
A
D
R
K
N
L
S
L
-
V
A
V
V
T
F
A
----
V
S
A
L
I
Y
------
L
P
F
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
39.59
30%
-40
- C4 -
3C8U
-
?
A:
[3-123]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
A
A
L
C
Q
G
V
L
E
R
L
D
-
P
R
Q
P
------
G
R
Q
L
-
V
A
L
S
G
A
P
G
S
G
K
S
T
L
S
N
P
L
A
A
A
L
S
A
Q
--
G
--
L
P
------------------------------
A
E
V
V
P
M
D
G
---------------
F
H
L
D
N
R
L
L
E
P
R
G
L
L
P
R
K
G
A
P
E
T
F
D
F
E
G
F
Q
R
L
C
H
A
L
K
------
H
Q
E
R
V
I
Y
---
P
L
F
D
R
---
A
R
D
I
A
I
A
G
A
A
E
V
G
-------
P
E
---------------
C
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
HHSearch
34.90
10%
-57
- C4 -
3RCE
-
PGLB_CAMLR
A:
[49-196]
-----------------------------------------------------------
Q
L
M
I
T
-
T
N
D
G
Y
A
F
A
E
G
A
R
D
-------
M
I
------
A
G
F
H
--
Q
P
N
D
L
--
S
Y
F
-
G
S
S
L
--
S
T
L
T
Y
W
L
Y
S
I
L
P
F
S
F
-----
E
S
I
I
L
Y
M
S
T
F
F
A
S
L
-----
I
V
V
P
I
-
I
L
I
A
R
E
Y
K
L
T
--
T
Y
G
F
I
A
A
L
L
G
S
I
A
N
S
-
Y
--
Y
N
---
R
T
M
S
G
YY
D
T
D
M
L
V
L
V
L
-
P
M
L
I
L
L
T
F
I
R
L
T
I
N
--------
K
D
I
F
T
L
L
L
S
P
I
F
I
M
I
Y
L
W
W
Y
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
26.58
34%
45
- C4 -
1R5A
-
?
A:
[141-188]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
M
L
K
Q
Y
Q
-
W
--
S
A
---
A
N
H
F
T
--
I
A
D
I
A
L
C
V
T
-
V
S
Q
I
E
A
F
Q
F
-
D
L
H
P
Y
P
R
---
V
---
R
A
W
L
L
K
C
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
HHSearch
26.04
11%
-22
- C4 -
4I0U
1
CORA_THEMA
A:
[293-349]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
L
T
I
I
A
T
I
F
--
M
P
L
T
F
I
A
G
I
Y
G
M
N
--
F
EY
M
P
E
-
L
R
W
K
W
G
-----------------
Y
P
V
V
L
A
V
M
--
G
V
I
---------------
A
V
I
M
-
V
V
Y
F
K
K
K
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
HHSearch
20.10
23%
176
- C4 -
3VR8
1
DHSD_ASCSU
D:
[110-150]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
F
V
L
G
D
T
L
A
A
A
V
R
V
G
A
Y
I
F
T
A
C
L
-
L
--
A
G
---
L
L
Y
F
N
--
E
H
D
V
G
L
T
R
A
-
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
Fugue
19.71
33%
315
- C3 -
2K8F
-
P53_HUMAN
B:
[1-39]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
E
E
P
Q
S
D
P
S
V
E
P
P
----
L
S
Q
E
T
F
S
D
L
W
K
L
-
L
P
E
--------
N
N
V
L
S
P
L
---
P
S
Q
A
----------------------------------------------------
15
HHSearch
17.80
10%
207
- C4 -
2KTA
-
?
A:
[10-40]
--------------------------------------------------------------------
M
K
N
Y
E
E
L
K
S
F
-------
V
R
K
Y
R
---
R
F
P
K
--
S
--
T
-----
E
---
G
N
L
G
G
W
C
H
T
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
HHSearch
15.94
19%
357
* C4 *
4NV5
1
?
A:
[20-46]
--------------------------------------------------------------------------------------------------------------------------------------------
R
L
I
L
A
I
L
A
G
L
-----
G
S
L
L
T
A
Y
L
T
Y
T
K
L
T
E
Q
--
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
HHSearch
14.02
13%
407
- C4 -
4EV6
3
CORA_METJA
A:
[282-307]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
T
M
V
T
T
I
F
--
A
V
P
M
W
I
T
G
I
Y
G
M
N
FS
Y
--
L
P
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
HHSearch
11.61
21%
710
- C4 -
3HS2
-
PHD_BPP1
A:
[31-49]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
G
R
E
P
--------
A
V
I
V
S
K
A
---
T
F
E
A
Y
K
-----
K
--------------------------------------------
18
HHSearch
4.97
70%
1149
- C1 -
1G92
-
POTX_PARCV
A:
[1-10]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
L
----
P
L
L
I
L
G
S
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
HHSearch
2.21
15%
1182
- C2 -
4H44
3
PETD_NOSS1
B:
[72-84]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
L
E
I
L
P
E
W
Y
L
Y
----
P
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
User Run . : Multi Template Modeling Result:
(1 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...
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MPQP
T
S
Q
Q
R
A
S
VASSQSTQGAVGWSA
A
T
G
W
V
V
L
F
V
A
V
A
L
V
V
W
F
V
S
L
D
M
R
H
LVGPDEG
R
Y
A
E
I
S
R
E
M
FASG
D
W
V
T
I
R
Y
N
A
L
K
Y
FEKPP
F
H
M
W
V
T
V
V
G
Y
E
LFGL
G
E
W
Q
A
R
L
A
V
A
L
S
G
L
L
G
I
G
V
S
M
M
A
A
R
R
W
FG
A
R
A
A
A
F
T
G
L
A
L
L
A
A
P
M
W
S
V
A
A
HF
N
T
L
D
M
T
L
A
G
V
M
S
C
V
L
A
F
M
LMGQHP
D
A
S
V
A
A
RRG
W
M
V
A
C
W
A
A
M
G
V
A
I
L
T
K
G
L
V
G
I
A
L
P
G
L
V
L
V
V
Y
T
L
V
TR
D
W
G
L
W
R
R
L
H
L
A
L
G
V
V
V
M
L
V
ITVP
W
F
Y
L
V
SVRNPEFP
N
F
F
F
I
H
E
H
W
Q
R
Y
T
S
N
IHSRSG
S
V
F
Y
F
L
P
L
V
IGGFL
P
W
A
G
I
F
P
K
L
W
T
A
M
RAPVEGT
Q
A
R
F
R
P
A
L
M
A
G
I
W
A
I
A
I
F
V
F
F
SISRSKLP
G
Y
I
V
P
V
I
P
A
L
G
I
L
A
G
V
A
L
DRL
S
P
R
S
W
G
K
Q
L
I
G
M
A
I
V
A
A
C
G
L
L
A
S
P
V
V
A
TLNANHI
P
N
S
F
Y
R
A
Y
A
V
W
V
A
V
A
F
V
V
M
L
L
G
I
A
V
A
R
L
L
L
RRGV
L
P
S
V
A
V
Y
A
M
G
M
Y
L
G
F
T
V
A
L
LGHETVGRPASGA
D
I
A
P
Q
I
A
Q
KLTPEMP
L
Y
G
V
Q
M
L
D
H
T
L
P
F
Y
L
RH
P
L
M
MVGQADELTFGATV
E
P
Q
RVVP
D
V
D
S
F
T
K
L
W
KNGQ
P
A
M
A
V
MSPD
T
Y
L
A
LAPT
L
S
M
Y
V
V
A
R
D
W
R
R
V
V
V
A
N
V
A
S
LAGPQ
28
93.46
100%
-102
- C- -
M028
-
A:
[2-633]
M
P
Q
P
T
S
Q
Q
R
A
S
V
A
S
S
Q
S
T
Q
G
A
V
G
W
S
A
A
T
G
W
V
V
L
F
V
A
V
A
L
V
V
W
F
V
S
L
D
M
R
H
L
V
G
P
D
E
G
R
Y
A
E
I
S
R
E
M
F
A
S
G
D
W
V
T
I
R
Y
N
A
L
K
Y
F
E
K
P
P
F
H
M
W
V
T
V
V
G
Y
E
L
F
G
L
G
E
W
Q
A
R
L
A
V
A
L
S
G
L
L
G
I
G
V
S
M
M
A
A
R
R
W
F
G
A
R
A
A
A
F
T
G
L
A
L
L
A
A
P
M
W
S
V
A
A
H
F
N
T
L
D
M
T
L
A
G
V
M
S
C
V
L
A
F
M
L
M
G
Q
H
P
D
A
S
V
A
A
R
R
G
W
M
V
A
C
W
A
A
M
G
V
A
I
L
T
K
G
L
V
G
I
A
L
P
G
L
V
L
V
V
Y
T
L
V
T
R
D
W
G
L
W
R
R
L
H
L
A
L
G
V
V
V
M
L
V
I
T
V
P
W
F
Y
L
V
S
V
R
N
P
E
F
P
N
F
F
F
I
H
E
H
W
Q
R
Y
T
S
N
I
H
S
R
S
G
S
V
F
Y
F
L
P
L
V
I
G
G
F
L
P
W
A
G
I
F
P
K
L
W
T
A
M
R
A
P
V
E
G
T
Q
A
R
F
R
P
A
L
M
A
G
I
W
A
I
A
I
F
V
F
F
S
I
S
R
S
K
L
P
G
Y
I
V
P
V
I
P
A
L
G
I
L
A
G
V
A
L
D
R
L
S
P
R
S
W
G
K
Q
L
I
G
M
A
I
V
A
A
C
G
L
L
A
S
P
V
V
A
T
L
N
A
N
H
I
P
N
S
F
Y
R
A
Y
A
V
W
V
A
V
A
F
V
V
M
L
L
G
I
A
V
A
R
L
L
L
R
R
G
V
L
P
S
V
A
V
Y
A
M
G
M
Y
L
G
F
T
V
A
L
L
G
H
E
T
V
G
R
P
A
S
G
A
D
I
A
P
Q
I
A
Q
K
L
T
P
E
M
P
L
Y
G
V
Q
M
L
D
H
T
L
P
F
Y
L
R
H
P
L
M
M
V
G
Q
A
D
E
L
T
F
G
A
T
V
E
P
Q
R
V
V
P
D
V
D
S
F
T
K
L
W
K
N
G
Q
P
A
M
A
V
M
S
P
D
T
Y
L
A
L
A
P
T
L
S
M
Y
V
V
A
R
D
W
R
R
V
V
V
A
N
V
A
S
L
A
G
P
Q