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]
50T080120 33% 0.529 0.590 PF01041 C1_S141 - (21)6 - / - / 4 -
51T07650 33% 0.205 0.455 PF00076 2 - (0)0 - / - / - -
52T080720 33% 0.561 0.584 PF00248 C3_S132 - (21)8 2 / - / 2 -
53T08320 32% 0.180 0.361 PF01213 5 - (2)0 - / - / - -
54T084320 32% 0.479 0.531 PF01041 48 - (24)0 - / - / - -
55T08030 32% 0.107 0.150PF03947 0 - (0)0 - / - / - -
56T078320 32% 0.233 0.331 PF01128 30 - (18)0 - / - / - -
57T077210 32% 0.353 0.355 PF00722 21 - (0)0 - / - / - -
58T07606 31% 0.302 0.437 PF11631 7 - (0)0 - / - / - -
59T085120 31% 0.488 0.558 PF03721 C1_S133 - (16)2 - / 1 / 1 -
60T08020 31% 0.394 0.328 PF01541 2 - (0)0 - / - / - -
61T082810 31% 0.207 0.210PF14852 3 - (0)0 - / - / - -
62T08002 31% 0.176 0.175PF00011 4 - (0)0 - / - / - -
63T08460 30% 0.346 0.485 PF06133 2 - (0)0 - / - / - -
64T081920 30% 0.504 0.619 PF00155 C1_S119 - (15)3 - / - / 3 -
65T082320 30% 0.403 0.437 PF00248 27 - (18)0 - / - / - -
66T084714 30% 0.373 0.491 PF14676 3 - (0)0 - / - / - -
67T081720 29% 0.439 0.515 PF00496 41 - (0)0 - / - / - -
68T07910 29% 0.136 0.262PF13499 2 - (0)0 - / - / - -
69T07968 29% 0.291 0.324 PF03440 4 - (0)0 - / - / - -
70T08180 28% 0.353 0.377 PF00400 22 - (1)0 - / - / - -
71T07901 27% 0.181 0.383 PF00356 6 - (3)0 - / - / - -
72T08499 27% 0.433 0.556 PF02798 17 - (6)0 - / - / - -
73T08340 27% 0.167 0.250PF07654 1 - (0)0 - / - / - -
74T08144 27% 0.132 0.205PF01833 4 - (0)0 - / - / - -
75T07748 27% 0.209 0.301 PF00400 1 - (0)0 - / - / - -
76T085612 27% 0.288 0.485 PF00622 6 - (0)0 - / - / - -
77T085820 26% 0.432 0.468 PF02055 C7_S122 - (11)1 - / - / 1 -
78T08398 26% 0.351 0.430 PF07651 4 - (0)0 - / - / - -
79T08314 26% 0.271 0.324 PF13176 3 - (0)0 - / - / - -
80T08040 25% 0.156 0.368 PF00197 2 - (0)0 - / - / - -
81T08382 24% 0.286 0.453 PF09032 3 - (1)0 - / - / - -
82T07938 24% 0.207 0.255PF05496 15 - (11)0 - / - / - -
83T084516 23% 0.205 0.345 PF00058 7 - (0)0 - / - / - -
84T08290 23% 0.362 0.424 PF01491 1 - (0)0 - / - / - -
85T085218 23% 0.345 0.321 PF00756 16 - (0)0 - / - / - -
86T078614 21% 0.317 0.384 PF01230 7 - (5)0 - / - / - -
87T08480 21% 0.178 0.205PF04379 10 - (3)0 - / - / - -
88T07823 20% 0.345 0.308 PF05963 2 - (0)0 - / - / - -
89T08270 20% 0.240 0.342 PF01381 2 - (0)0 - / - / - -
90T076614 20% 0.419 0.516 PF02783 22 - (1)0 - / - / - -
91T08083 20% 0.157 0.241PF01494 13 - (4)0 - / - / - -
92T07850 20% 0.243 0.341 PF02359 0 - (0)0 - / - / - -
93T08240 19% 0.093 0.281PF05963 0 - (0)0 - / - / - -
94T083513 19% 0.327 0.415 PF00759 21 - (0)0 - / - / - -
95T082615 18% 0.169 0.240PF01663 4 - (0)0 - / - / - -
96T07950 18% 0.359 0.271PF08910 1 - (0)0 - / - / - -
97T08550 16% 0.302 0.224PF05963 0 - (0)0 - / - / - -

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