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]
50T08550 16% 0.302 0.224PF05963 0 - (0)0 - / - / - -
51T07630 37% 0.299 0.322 PF02991 0 - (0)0 - / - / - -
52T07968 29% 0.291 0.324 PF03440 4 - (0)0 - / - / - -
53T085612 27% 0.288 0.485 PF00622 6 - (0)0 - / - / - -
54T08382 24% 0.286 0.453 PF09032 3 - (1)0 - / - / - -
55T08314 26% 0.271 0.324 PF13176 3 - (0)0 - / - / - -
56T078720 96% 0.268 0.261PF00517 C2_S14 - (0)4 - / - / 2 -
57T08440 40% 0.267 0.290PF06133 1 - (0)0 - / - / - -
58T08222 37% 0.264 0.241PF05963 2 - (0)0 - / - / - -
59T08200 43% 0.262 0.401 PF05198 2 - (0)0 - / - / - -
60T08531 38% 0.252 0.367 PF02887 5 - (2)0 - / - / - -
61T08334 45% 0.249 0.331 PF03388 6 - (0)0 - / - / - -
62T07850 20% 0.243 0.341 PF02359 0 - (0)0 - / - / - -
63T08270 20% 0.240 0.342 PF01381 2 - (0)0 - / - / - -
64T078320 32% 0.233 0.331 PF01128 30 - (18)0 - / - / - -
65T07770 36% 0.225 0.274PF04650 3 - (0)0 - / - / - -
66T08060 39% 0.219 0.286PF00790 8 - (0)0 - / - / - -
67T07748 27% 0.209 0.301 PF00400 1 - (0)0 - / - / - -
68T082810 31% 0.207 0.210PF14852 3 - (0)0 - / - / - -
69T07938 24% 0.207 0.255PF05496 15 - (11)0 - / - / - -
70T08420 33% 0.205 0.302 PF03852 3 - (1)0 - / - / - -
71T07650 33% 0.205 0.455 PF00076 2 - (0)0 - / - / - -
72T084516 23% 0.205 0.345 PF00058 7 - (0)0 - / - / - -
73T07810 37% 0.196 0.154PF01751 7 - (0)0 - / - / - -
74T07597 45% 0.181 0.301 PF00681 4 - (0)0 - / - / - -
75T07901 27% 0.181 0.383 PF00356 6 - (3)0 - / - / - -
76T08320 32% 0.180 0.361 PF01213 5 - (2)0 - / - / - -
77T08480 21% 0.178 0.205PF04379 10 - (3)0 - / - / - -
78T08002 31% 0.176 0.175PF00011 4 - (0)0 - / - / - -
79T08500 47% 0.173 0.317 PF00397 1 - (0)0 - / - / - -
80T08302 34% 0.173 0.250PF02516 4 - (0)0 - / - / - -
81T082615 18% 0.169 0.240PF01663 4 - (0)0 - / - / - -
82T08340 27% 0.167 0.250PF07654 1 - (0)0 - / - / - -
83T08083 20% 0.157 0.241PF01494 13 - (4)0 - / - / - -
84T08040 25% 0.156 0.368 PF00197 2 - (0)0 - / - / - -
85T07993 64% 0.150 0.273PF01842 4 - (0)0 - / - / - -
86T079418 33% 0.140 0.334 PF00795 5 - (0)0 - / - / - -
87T07910 29% 0.136 0.262PF13499 2 - (0)0 - / - / - -
88T07670 34% 0.133 0.161PF01776 1 - (0)0 - / - / - -
89T08144 27% 0.132 0.205PF01833 4 - (0)0 - / - / - -
90T07610 38% 0.116 0.282PF00578 1 - (0)0 - / - / - -
91T08030 32% 0.107 0.150PF03947 0 - (0)0 - / - / - -
92T08240 19% 0.093 0.281PF05963 0 - (0)0 - / - / - -
93T07890 36% 0.067 0.239PF01044 2 - (0)0 - / - / - -
94T08090 36% 0.062 0.172PF00268 0 - (0)0 - / - / - -
95T07710 38% 0.060 0.062PF02240 0 - (0)0 - / - / - -
96T07750 41% -0.022 0.026PF01123 0 - (0)0 - / - / - -
97T08360 53% -0.027 -PF00240 4 - (0)0 - / - / - -

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