Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
CASP11 (Apr 2014)

Download : Data.csv | 3D Models


Tab legend :
    Full name of ligand selected in the comparative docking column:

    General color information : Quality: [ Good | Correct | Uncertain ]
QueryStructural Alignment (SA)3D Modeling AnnotationLigands from PDB templatesPredicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]




 Query Sequence
Filter: 		Significants
SA found		 Seq Ident. 3D Core
(QMean Score)		 Modeller
(QMean Score)		 Classification code

 Binding Site Ligands Found
(Procognate)		 Profile Complexes by comparative docking
(ligands from PDB templates)

 Targets
for screening


Sort by entries

 [Nb of SA]
 [Best Ident]
 [Best Score]
 [Best Score]
 Main Code
 [Name]
 [Number]
 [Number]
 Distribution of CDocking pKd
 [Number]
50T07597 45% 0.181 0.301 PF00681 4 - (0)0 - / - / - -
51T07650 33% 0.205 0.455 PF00076 2 - (0)0 - / - / - -
52T08180 28% 0.353 0.377 PF00400 22 - (1)0 - / - / - -
53T085416 35% 0.456 0.574 PF00702 13 - (9)0 - / - / - -
54T07844 59% 0.421 0.429 PF03178 0 - (0)0 - / - / - -
55T07938 24% 0.207 0.255PF05496 15 - (11)0 - / - / - -
56T08020 31% 0.394 0.328 PF01541 2 - (0)0 - / - / - -
57T08090 36% 0.062 0.172PF00268 0 - (0)0 - / - / - -
58T07795 41% 0.681 0.691 PF00505 2 - (0)0 - / - / - -
59T07950 18% 0.359 0.271PF08910 1 - (0)0 - / - / - -
60T085612 27% 0.288 0.485 PF00622 6 - (0)0 - / - / - -
61T08570 37% 0.372 0.313 PF01833 2 - (0)0 - / - / - -
62T082810 31% 0.207 0.210PF14852 3 - (0)0 - / - / - -
63T07810 37% 0.196 0.154PF01751 7 - (0)0 - / - / - -
64T07630 37% 0.299 0.322 PF02991 0 - (0)0 - / - / - -
65T08083 20% 0.157 0.241PF01494 13 - (4)0 - / - / - -
66T07770 36% 0.225 0.274PF04650 3 - (0)0 - / - / - -
67T07737 47% 0.420 0.677 PF00106 6 - (6)0 - / - / - -
68T078320 32% 0.233 0.331 PF01128 30 - (18)0 - / - / - -
69T07606 31% 0.302 0.437 PF11631 7 - (0)0 - / - / - -
70T081320 35% 0.483 0.536 PF03446 23 - (17)0 - / - / - -
71T07750 41% -0.022 0.026PF01123 0 - (0)0 - / - / - -
72T08270 20% 0.240 0.342 PF01381 2 - (0)0 - / - / - -
73T08060 39% 0.219 0.286PF00790 8 - (0)0 - / - / - -
74T076419 35% 0.431 0.434 PF00326 12 - (1)0 - / - / - -
75T077813 39% 0.363 0.392 PF00515 4 - (0)0 - / - / - -
76T08320 32% 0.180 0.361 PF01213 5 - (2)0 - / - / - -
77T08314 26% 0.271 0.324 PF13176 3 - (0)0 - / - / - -
78T077014 33% 0.357 0.385 -11 - (0)0 - / - / - -
79T08160 42% 0.789 0.710 PF01806 2 - (0)0 - / - / - -
80T08200 43% 0.262 0.401 PF05198 2 - (0)0 - / - / - -
81T08370 41% 0.315 0.363 PF00072 1 - (0)0 - / - / - -
82T07968 29% 0.291 0.324 PF03440 4 - (0)0 - / - / - -
83T08398 26% 0.351 0.430 PF07651 4 - (0)0 - / - / - -
84T084516 23% 0.205 0.345 PF00058 7 - (0)0 - / - / - -
85T082615 18% 0.169 0.240PF01663 4 - (0)0 - / - / - -
86T07823 20% 0.345 0.308 PF05963 2 - (0)0 - / - / - -
87T07748 27% 0.209 0.301 PF00400 1 - (0)0 - / - / - -
88T07610 38% 0.116 0.282PF00578 1 - (0)0 - / - / - -
89T07993 64% 0.150 0.273PF01842 4 - (0)0 - / - / - -
90T080513 43% 0.446 0.534 PF00881 61 - (34)0 - / - / - -
91T08440 40% 0.267 0.290PF06133 1 - (0)0 - / - / - -
92T07807 40% 0.344 0.411 PF00028 3 - (0)0 - / - / - -
93T08334 45% 0.249 0.331 PF03388 6 - (0)0 - / - / - -
94T076220 40% 0.407 0.438 PF03180 15 - (0)0 - / - / - -
95T08340 27% 0.167 0.250PF07654 1 - (0)0 - / - / - -
96T081519 50% 0.460 0.601 PF02136 18 - (2)0 - / - / - -
97T08302 34% 0.173 0.250PF02516 4 - (0)0 - / - / - -

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