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]
50T08302 34% 0.173 0.250PF02516 4 - (0)0 - / - / - -
51T082615 18% 0.169 0.240PF01663 4 - (0)0 - / - / - -
52T07968 29% 0.291 0.324 PF03440 4 - (0)0 - / - / - -
53T08002 31% 0.176 0.175PF00011 4 - (0)0 - / - / - -
54T078720 96% 0.268 0.261PF00517 C2_S14 - (0)4 - / - / 2 -
55T076815 41% 0.323 0.368 PF01462 4 - (0)0 - / - / - -
56T08314 26% 0.271 0.324 PF13176 3 - (0)0 - / - / - -
57T07696 37% 0.628 0.702 PF01187 3 - (1)0 - / - / - -
58T084714 30% 0.373 0.491 PF14676 3 - (0)0 - / - / - -
59T08382 24% 0.286 0.453 PF09032 3 - (1)0 - / - / - -
60T07770 36% 0.225 0.274PF04650 3 - (0)0 - / - / - -
61T08420 33% 0.205 0.302 PF03852 3 - (1)0 - / - / - -
62T082810 31% 0.207 0.210PF14852 3 - (0)0 - / - / - -
63T07807 40% 0.344 0.411 PF00028 3 - (0)0 - / - / - -
64T07650 33% 0.205 0.455 PF00076 2 - (0)0 - / - / - -
65T08020 31% 0.394 0.328 PF01541 2 - (0)0 - / - / - -
66T07910 29% 0.136 0.262PF13499 2 - (0)0 - / - / - -
67T08570 37% 0.372 0.313 PF01833 2 - (0)0 - / - / - -
68T07890 36% 0.067 0.239PF01044 2 - (0)0 - / - / - -
69T07974 44% 0.705 0.848 PF00069 2 - (0)0 - / - / - -
70T08460 30% 0.346 0.485 PF06133 2 - (0)0 - / - / - -
71T08200 43% 0.262 0.401 PF05198 2 - (0)0 - / - / - -
72T08040 25% 0.156 0.368 PF00197 2 - (0)0 - / - / - -
73T07795 41% 0.681 0.691 PF00505 2 - (0)0 - / - / - -
74T08270 20% 0.240 0.342 PF01381 2 - (0)0 - / - / - -
75T08222 37% 0.264 0.241PF05963 2 - (0)0 - / - / - -
76T07823 20% 0.345 0.308 PF05963 2 - (0)0 - / - / - -
77T08160 42% 0.789 0.710 PF01806 2 - (0)0 - / - / - -
78T08340 27% 0.167 0.250PF07654 1 - (0)0 - / - / - -
79T07748 27% 0.209 0.301 PF00400 1 - (0)0 - / - / - -
80T08500 47% 0.173 0.317 PF00397 1 - (0)0 - / - / - -
81T07610 38% 0.116 0.282PF00578 1 - (0)0 - / - / - -
82T07950 18% 0.359 0.271PF08910 1 - (0)0 - / - / - -
83T07670 34% 0.133 0.161PF01776 1 - (0)0 - / - / - -
84T08440 40% 0.267 0.290PF06133 1 - (0)0 - / - / - -
85T08290 23% 0.362 0.424 PF01491 1 - (0)0 - / - / - -
86T07923 44% 0.462 0.626 PF00226 1 - (0)0 - / - / - -
87T08370 41% 0.315 0.363 PF00072 1 - (0)0 - / - / - -
88T07630 37% 0.299 0.322 PF02991 0 - (0)0 - / - / - -
89T07844 59% 0.421 0.429 PF03178 0 - (0)0 - / - / - -
90T08090 36% 0.062 0.172PF00268 0 - (0)0 - / - / - -
91T08240 19% 0.093 0.281PF05963 0 - (0)0 - / - / - -
92T08030 32% 0.107 0.150PF03947 0 - (0)0 - / - / - -
93T07850 20% 0.243 0.341 PF02359 0 - (0)0 - / - / - -
94T07750 41% -0.022 0.026PF01123 0 - (0)0 - / - / - -
95T082520 99% 0.593 0.632 PF00400 0 - (0)0 - / - / - -
96T08550 16% 0.302 0.224PF05963 0 - (0)0 - / - / - -
97T07710 38% 0.060 0.062PF02240 0 - (0)0 - / - / - -

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