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]
50T077620 34% 0.399 0.465 PF00657 12 - (2)0 - / - / - -
51T08499 27% 0.433 0.556 PF02798 17 - (6)0 - / - / - -
52T08290 23% 0.362 0.424 PF01491 1 - (0)0 - / - / - -
53T08314 26% 0.271 0.324 PF13176 3 - (0)0 - / - / - -
54T076614 20% 0.419 0.516 PF02783 22 - (1)0 - / - / - -
55T08398 26% 0.351 0.430 PF07651 4 - (0)0 - / - / - -
56T07923 44% 0.462 0.626 PF00226 1 - (0)0 - / - / - -
57T076220 40% 0.407 0.438 PF03180 15 - (0)0 - / - / - -
58T07737 47% 0.420 0.677 PF00106 6 - (6)0 - / - / - -
59T077210 32% 0.353 0.355 PF00722 21 - (0)0 - / - / - -
60T084714 30% 0.373 0.491 PF14676 3 - (0)0 - / - / - -
61T082615 18% 0.169 0.240PF01663 4 - (0)0 - / - / - -
62T077014 33% 0.357 0.385 -11 - (0)0 - / - / - -
63T085218 23% 0.345 0.321 PF00756 16 - (0)0 - / - / - -
64T084320 32% 0.479 0.531 PF01041 48 - (24)0 - / - / - -
65T08550 16% 0.302 0.224PF05963 0 - (0)0 - / - / - -
66T082320 30% 0.403 0.437 PF00248 27 - (18)0 - / - / - -
67T08240 19% 0.093 0.281PF05963 0 - (0)0 - / - / - -
68T076419 35% 0.431 0.434 PF00326 12 - (1)0 - / - / - -
69T08020 31% 0.394 0.328 PF01541 2 - (0)0 - / - / - -
70T081720 29% 0.439 0.515 PF00496 41 - (0)0 - / - / - -
71T078320 32% 0.233 0.331 PF01128 30 - (18)0 - / - / - -
72T07650 33% 0.205 0.455 PF00076 2 - (0)0 - / - / - -
73T076815 41% 0.323 0.368 PF01462 4 - (0)0 - / - / - -
74T08480 21% 0.178 0.205PF04379 10 - (3)0 - / - / - -
75T07850 20% 0.243 0.341 PF02359 0 - (0)0 - / - / - -
76T07750 41% -0.022 0.026PF01123 0 - (0)0 - / - / - -
77T07597 45% 0.181 0.301 PF00681 4 - (0)0 - / - / - -
78T084120 100% 0.514 0.557 PF00089 15 - (0)0 - / - / - -
79T07610 38% 0.116 0.282PF00578 1 - (0)0 - / - / - -
80T07823 20% 0.345 0.308 PF05963 2 - (0)0 - / - / - -
81T082520 99% 0.593 0.632 PF00400 0 - (0)0 - / - / - -
82T08302 34% 0.173 0.250PF02516 4 - (0)0 - / - / - -
83T07606 31% 0.302 0.437 PF11631 7 - (0)0 - / - / - -
84T08222 37% 0.264 0.241PF05963 2 - (0)0 - / - / - -
85T08570 37% 0.372 0.313 PF01833 2 - (0)0 - / - / - -
86T07710 38% 0.060 0.062PF02240 0 - (0)0 - / - / - -
87T07770 36% 0.225 0.274PF04650 3 - (0)0 - / - / - -
88T08370 41% 0.315 0.363 PF00072 1 - (0)0 - / - / - -
89T08360 53% -0.027 -PF00240 4 - (0)0 - / - / - -
90T07807 40% 0.344 0.411 PF00028 3 - (0)0 - / - / - -
91T07844 59% 0.421 0.429 PF03178 0 - (0)0 - / - / - -
92T07748 27% 0.209 0.301 PF00400 1 - (0)0 - / - / - -
93T08002 31% 0.176 0.175PF00011 4 - (0)0 - / - / - -
94T08460 30% 0.346 0.485 PF06133 2 - (0)0 - / - / - -
95T08144 27% 0.132 0.205PF01833 4 - (0)0 - / - / - -
96T07890 36% 0.067 0.239PF01044 2 - (0)0 - / - / - -
97T08270 20% 0.240 0.342 PF01381 2 - (0)0 - / - / - -

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