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]
50T08320 32% 0.180 0.361 PF01213 5 - (2)0 - / - / - -
51T077210 32% 0.353 0.355 PF00722 21 - (0)0 - / - / - -
52T084516 23% 0.205 0.345 PF00058 7 - (0)0 - / - / - -
53T08270 20% 0.240 0.342 PF01381 2 - (0)0 - / - / - -
54T07850 20% 0.243 0.341 PF02359 0 - (0)0 - / - / - -
55T079418 33% 0.140 0.334 PF00795 5 - (0)0 - / - / - -
56T08334 45% 0.249 0.331 PF03388 6 - (0)0 - / - / - -
57T078320 32% 0.233 0.331 PF01128 30 - (18)0 - / - / - -
58T078820 88% 0.309 0.329 PF00517 60 - (5)5 - / - / - -
59T08020 31% 0.394 0.328 PF01541 2 - (0)0 - / - / - -
60T08314 26% 0.271 0.324 PF13176 3 - (0)0 - / - / - -
61T07968 29% 0.291 0.324 PF03440 4 - (0)0 - / - / - -
62T07630 37% 0.299 0.322 PF02991 0 - (0)0 - / - / - -
63T085218 23% 0.345 0.321 PF00756 16 - (0)0 - / - / - -
64T08500 47% 0.173 0.317 PF00397 1 - (0)0 - / - / - -
65T08570 37% 0.372 0.313 PF01833 2 - (0)0 - / - / - -
66T07823 20% 0.345 0.308 PF05963 2 - (0)0 - / - / - -
67T08420 33% 0.205 0.302 PF03852 3 - (1)0 - / - / - -
68T07597 45% 0.181 0.301 PF00681 4 - (0)0 - / - / - -
69T07748 27% 0.209 0.301 PF00400 1 - (0)0 - / - / - -
70T08440 40% 0.267 0.290PF06133 1 - (0)0 - / - / - -
71T08060 39% 0.219 0.286PF00790 8 - (0)0 - / - / - -
72T07610 38% 0.116 0.282PF00578 1 - (0)0 - / - / - -
73T08240 19% 0.093 0.281PF05963 0 - (0)0 - / - / - -
74T07770 36% 0.225 0.274PF04650 3 - (0)0 - / - / - -
75T07993 64% 0.150 0.273PF01842 4 - (0)0 - / - / - -
76T07950 18% 0.359 0.271PF08910 1 - (0)0 - / - / - -
77T07910 29% 0.136 0.262PF13499 2 - (0)0 - / - / - -
78T078720 96% 0.268 0.261PF00517 C2_S14 - (0)4 - / - / 2 -
79T07938 24% 0.207 0.255PF05496 15 - (11)0 - / - / - -
80T08302 34% 0.173 0.250PF02516 4 - (0)0 - / - / - -
81T08340 27% 0.167 0.250PF07654 1 - (0)0 - / - / - -
82T08083 20% 0.157 0.241PF01494 13 - (4)0 - / - / - -
83T08222 37% 0.264 0.241PF05963 2 - (0)0 - / - / - -
84T082615 18% 0.169 0.240PF01663 4 - (0)0 - / - / - -
85T07890 36% 0.067 0.239PF01044 2 - (0)0 - / - / - -
86T08550 16% 0.302 0.224PF05963 0 - (0)0 - / - / - -
87T082810 31% 0.207 0.210PF14852 3 - (0)0 - / - / - -
88T08144 27% 0.132 0.205PF01833 4 - (0)0 - / - / - -
89T08480 21% 0.178 0.205PF04379 10 - (3)0 - / - / - -
90T08002 31% 0.176 0.175PF00011 4 - (0)0 - / - / - -
91T08090 36% 0.062 0.172PF00268 0 - (0)0 - / - / - -
92T07670 34% 0.133 0.161PF01776 1 - (0)0 - / - / - -
93T07810 37% 0.196 0.154PF01751 7 - (0)0 - / - / - -
94T08030 32% 0.107 0.150PF03947 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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