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]
50T08083 20% 0.157 0.241PF01494 13 - (4)0 - / - / - -
51T08090 36% 0.062 0.172PF00268 0 - (0)0 - / - / - -
52T081320 35% 0.483 0.536 PF03446 23 - (17)0 - / - / - -
53T08144 27% 0.132 0.205PF01833 4 - (0)0 - / - / - -
54T081519 50% 0.460 0.601 PF02136 18 - (2)0 - / - / - -
55T08160 42% 0.789 0.710 PF01806 2 - (0)0 - / - / - -
56T081720 29% 0.439 0.515 PF00496 41 - (0)0 - / - / - -
57T08180 28% 0.353 0.377 PF00400 22 - (1)0 - / - / - -
58T081920 30% 0.504 0.619 PF00155 C1_S119 - (15)3 - / - / 3 -
59T08200 43% 0.262 0.401 PF05198 2 - (0)0 - / - / - -
60T082119 38% 0.364 0.471 PF00515 C1_S17 - (0)2 - / - / 1 -
61T08222 37% 0.264 0.241PF05963 2 - (0)0 - / - / - -
62T082320 30% 0.403 0.437 PF00248 27 - (18)0 - / - / - -
63T08240 19% 0.093 0.281PF05963 0 - (0)0 - / - / - -
64T082520 99% 0.593 0.632 PF00400 0 - (0)0 - / - / - -
65T082615 18% 0.169 0.240PF01663 4 - (0)0 - / - / - -
66T08270 20% 0.240 0.342 PF01381 2 - (0)0 - / - / - -
67T082810 31% 0.207 0.210PF14852 3 - (0)0 - / - / - -
68T08290 23% 0.362 0.424 PF01491 1 - (0)0 - / - / - -
69T08302 34% 0.173 0.250PF02516 4 - (0)0 - / - / - -
70T08314 26% 0.271 0.324 PF13176 3 - (0)0 - / - / - -
71T08320 32% 0.180 0.361 PF01213 5 - (2)0 - / - / - -
72T08334 45% 0.249 0.331 PF03388 6 - (0)0 - / - / - -
73T08340 27% 0.167 0.250PF07654 1 - (0)0 - / - / - -
74T083513 19% 0.327 0.415 PF00759 21 - (0)0 - / - / - -
75T08360 53% -0.027 -PF00240 4 - (0)0 - / - / - -
76T08370 41% 0.315 0.363 PF00072 1 - (0)0 - / - / - -
77T08382 24% 0.286 0.453 PF09032 3 - (1)0 - / - / - -
78T08398 26% 0.351 0.430 PF07651 4 - (0)0 - / - / - -
79T084020 100% 0.396 0.483 PF01833 8 - (0)1 - / - / - -
80T084120 100% 0.514 0.557 PF00089 15 - (0)0 - / - / - -
81T08420 33% 0.205 0.302 PF03852 3 - (1)0 - / - / - -
82T084320 32% 0.479 0.531 PF01041 48 - (24)0 - / - / - -
83T08440 40% 0.267 0.290PF06133 1 - (0)0 - / - / - -
84T084516 23% 0.205 0.345 PF00058 7 - (0)0 - / - / - -
85T08460 30% 0.346 0.485 PF06133 2 - (0)0 - / - / - -
86T084714 30% 0.373 0.491 PF14676 3 - (0)0 - / - / - -
87T08480 21% 0.178 0.205PF04379 10 - (3)0 - / - / - -
88T08499 27% 0.433 0.556 PF02798 17 - (6)0 - / - / - -
89T08500 47% 0.173 0.317 PF00397 1 - (0)0 - / - / - -
90T085120 31% 0.488 0.558 PF03721 C1_S133 - (16)2 - / 1 / 1 -
91T085218 23% 0.345 0.321 PF00756 16 - (0)0 - / - / - -
92T08531 38% 0.252 0.367 PF02887 5 - (2)0 - / - / - -
93T085416 35% 0.456 0.574 PF00702 13 - (9)0 - / - / - -
94T08550 16% 0.302 0.224PF05963 0 - (0)0 - / - / - -
95T085612 27% 0.288 0.485 PF00622 6 - (0)0 - / - / - -
96T08570 37% 0.372 0.313 PF01833 2 - (0)0 - / - / - -
97T085820 26% 0.432 0.468 PF02055 C7_S122 - (11)1 - / - / 1 -

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