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]
50T08060 39% 0.219 0.286PF00790 8 - (0)0 - / - / - -
51T080513 43% 0.446 0.534 PF00881 61 - (34)0 - / - / - -
52T08040 25% 0.156 0.368 PF00197 2 - (0)0 - / - / - -
53T08030 32% 0.107 0.150PF03947 0 - (0)0 - / - / - -
54T08020 31% 0.394 0.328 PF01541 2 - (0)0 - / - / - -
55T080120 33% 0.529 0.590 PF01041 C1_S141 - (21)6 - / - / 4 -
56T08002 31% 0.176 0.175PF00011 4 - (0)0 - / - / - -
57T07993 64% 0.150 0.273PF01842 4 - (0)0 - / - / - -
58T079820 99% 0.538 0.636 PF00071 C1_S135 - (0)7 7 / - / - -
59T07974 44% 0.705 0.848 PF00069 2 - (0)0 - / - / - -
60T07968 29% 0.291 0.324 PF03440 4 - (0)0 - / - / - -
61T07950 18% 0.359 0.271PF08910 1 - (0)0 - / - / - -
62T079418 33% 0.140 0.334 PF00795 5 - (0)0 - / - / - -
63T07938 24% 0.207 0.255PF05496 15 - (11)0 - / - / - -
64T07923 44% 0.462 0.626 PF00226 1 - (0)0 - / - / - -
65T07910 29% 0.136 0.262PF13499 2 - (0)0 - / - / - -
66T07901 27% 0.181 0.383 PF00356 6 - (3)0 - / - / - -
67T07890 36% 0.067 0.239PF01044 2 - (0)0 - / - / - -
68T078820 88% 0.309 0.329 PF00517 60 - (5)5 - / - / - -
69T078720 96% 0.268 0.261PF00517 C2_S14 - (0)4 - / - / 2 -
70T078614 21% 0.317 0.384 PF01230 7 - (5)0 - / - / - -
71T07850 20% 0.243 0.341 PF02359 0 - (0)0 - / - / - -
72T07844 59% 0.421 0.429 PF03178 0 - (0)0 - / - / - -
73T078320 32% 0.233 0.331 PF01128 30 - (18)0 - / - / - -
74T07823 20% 0.345 0.308 PF05963 2 - (0)0 - / - / - -
75T07810 37% 0.196 0.154PF01751 7 - (0)0 - / - / - -
76T07807 40% 0.344 0.411 PF00028 3 - (0)0 - / - / - -
77T07795 41% 0.681 0.691 PF00505 2 - (0)0 - / - / - -
78T077813 39% 0.363 0.392 PF00515 4 - (0)0 - / - / - -
79T07770 36% 0.225 0.274PF04650 3 - (0)0 - / - / - -
80T077620 34% 0.399 0.465 PF00657 12 - (2)0 - / - / - -
81T07750 41% -0.022 0.026PF01123 0 - (0)0 - / - / - -
82T07748 27% 0.209 0.301 PF00400 1 - (0)0 - / - / - -
83T07737 47% 0.420 0.677 PF00106 6 - (6)0 - / - / - -
84T077210 32% 0.353 0.355 PF00722 21 - (0)0 - / - / - -
85T07710 38% 0.060 0.062PF02240 0 - (0)0 - / - / - -
86T077014 33% 0.357 0.385 -11 - (0)0 - / - / - -
87T07696 37% 0.628 0.702 PF01187 3 - (1)0 - / - / - -
88T076815 41% 0.323 0.368 PF01462 4 - (0)0 - / - / - -
89T07670 34% 0.133 0.161PF01776 1 - (0)0 - / - / - -
90T076614 20% 0.419 0.516 PF02783 22 - (1)0 - / - / - -
91T07650 33% 0.205 0.455 PF00076 2 - (0)0 - / - / - -
92T076419 35% 0.431 0.434 PF00326 12 - (1)0 - / - / - -
93T07630 37% 0.299 0.322 PF02991 0 - (0)0 - / - / - -
94T076220 40% 0.407 0.438 PF03180 15 - (0)0 - / - / - -
95T07610 38% 0.116 0.282PF00578 1 - (0)0 - / - / - -
96T07606 31% 0.302 0.437 PF11631 7 - (0)0 - / - / - -
97T07597 45% 0.181 0.301 PF00681 4 - (0)0 - / - / - -

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