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]
50T076815 41% 0.323 0.368 PF01462 4 - (0)0 - / - / - -
51T08290 23% 0.362 0.424 PF01491 1 - (0)0 - / - / - -
52T08083 20% 0.157 0.241PF01494 13 - (4)0 - / - / - -
53T08020 31% 0.394 0.328 PF01541 2 - (0)0 - / - / - -
54T082615 18% 0.169 0.240PF01663 4 - (0)0 - / - / - -
55T07810 37% 0.196 0.154PF01751 7 - (0)0 - / - / - -
56T07670 34% 0.133 0.161PF01776 1 - (0)0 - / - / - -
57T08160 42% 0.789 0.710 PF01806 2 - (0)0 - / - / - -
58T08570 37% 0.372 0.313 PF01833 2 - (0)0 - / - / - -
59T084020 100% 0.396 0.483 PF01833 8 - (0)1 - / - / - -
60T08144 27% 0.132 0.205PF01833 4 - (0)0 - / - / - -
61T07993 64% 0.150 0.273PF01842 4 - (0)0 - / - / - -
62T085820 26% 0.432 0.468 PF02055 C7_S122 - (11)1 - / - / 1 -
63T081519 50% 0.460 0.601 PF02136 18 - (2)0 - / - / - -
64T07710 38% 0.060 0.062PF02240 0 - (0)0 - / - / - -
65T07850 20% 0.243 0.341 PF02359 0 - (0)0 - / - / - -
66T08302 34% 0.173 0.250PF02516 4 - (0)0 - / - / - -
67T076614 20% 0.419 0.516 PF02783 22 - (1)0 - / - / - -
68T08499 27% 0.433 0.556 PF02798 17 - (6)0 - / - / - -
69T08531 38% 0.252 0.367 PF02887 5 - (2)0 - / - / - -
70T07630 37% 0.299 0.322 PF02991 0 - (0)0 - / - / - -
71T07844 59% 0.421 0.429 PF03178 0 - (0)0 - / - / - -
72T076220 40% 0.407 0.438 PF03180 15 - (0)0 - / - / - -
73T08334 45% 0.249 0.331 PF03388 6 - (0)0 - / - / - -
74T07968 29% 0.291 0.324 PF03440 4 - (0)0 - / - / - -
75T081320 35% 0.483 0.536 PF03446 23 - (17)0 - / - / - -
76T085120 31% 0.488 0.558 PF03721 C1_S133 - (16)2 - / 1 / 1 -
77T08420 33% 0.205 0.302 PF03852 3 - (1)0 - / - / - -
78T08030 32% 0.107 0.150PF03947 0 - (0)0 - / - / - -
79T08480 21% 0.178 0.205PF04379 10 - (3)0 - / - / - -
80T07770 36% 0.225 0.274PF04650 3 - (0)0 - / - / - -
81T08200 43% 0.262 0.401 PF05198 2 - (0)0 - / - / - -
82T07938 24% 0.207 0.255PF05496 15 - (11)0 - / - / - -
83T08550 16% 0.302 0.224PF05963 0 - (0)0 - / - / - -
84T07823 20% 0.345 0.308 PF05963 2 - (0)0 - / - / - -
85T08222 37% 0.264 0.241PF05963 2 - (0)0 - / - / - -
86T08240 19% 0.093 0.281PF05963 0 - (0)0 - / - / - -
87T08460 30% 0.346 0.485 PF06133 2 - (0)0 - / - / - -
88T08440 40% 0.267 0.290PF06133 1 - (0)0 - / - / - -
89T08398 26% 0.351 0.430 PF07651 4 - (0)0 - / - / - -
90T08340 27% 0.167 0.250PF07654 1 - (0)0 - / - / - -
91T07950 18% 0.359 0.271PF08910 1 - (0)0 - / - / - -
92T08382 24% 0.286 0.453 PF09032 3 - (1)0 - / - / - -
93T07606 31% 0.302 0.437 PF11631 7 - (0)0 - / - / - -
94T08314 26% 0.271 0.324 PF13176 3 - (0)0 - / - / - -
95T07910 29% 0.136 0.262PF13499 2 - (0)0 - / - / - -
96T084714 30% 0.373 0.491 PF14676 3 - (0)0 - / - / - -
97T082810 31% 0.207 0.210PF14852 3 - (0)0 - / - / - -

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