Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
LTP (May 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 (All) 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]
50751_tIV_VITVI16 54% 0.579 0.601 PF00234 C3_S12 - (0)- - / 1 / 1 -
51750_tVI_VITVI10 32% 0.522 0.525 PF00234 0 - (0)- - / - / - -
52749_tVI_VITVI9 32% 0.444 0.465 PF00234 0 - (0)- - / - / - -
53748_tVI_VITVI10 32% 0.426 0.480 PF00234 0 - (0)- - / - / - -
54747_tVI_VITVI10 42% 0.499 0.593 PF00234 0 - (0)- - / - / - -
55746_tVI_VITVI11 27% 0.496 0.444 PF00234 0 - (0)- - / - / - -
56745_tVI_VITVI11 28% 0.485 0.471 PF00234 0 - (0)- - / - / - -
57744_tII_VITVI12 40% 0.658 0.675 PF00234 0 - (0)- - / - / - -
58742_tVI_VITVI11 27% 0.315 0.316 PF00234 0 - (0)- - / - / - -
59741_tVI_VITVI11 29% 0.430 0.448 PF00234 0 - (0)- - / - / - -
60740_tII_VITVI12 39% 0.743 0.744 PF00234 0 - (0)- - / - / - -
61739_tVI_VITVI10 26% 0.286 0.391 PF00234 0 - (0)- - / - / - -
62738_tVI_VITVI11 28% 0.502 0.489 PF00234 0 - (0)- - / - / - -
63737_tVI_VITVI11 32% 0.376 0.473 PF00234 0 - (0)- - / - / - -
64736_tVI_VITVI11 28% 0.504 0.524 PF00234 0 - (0)- - / - / - -
65735_tVI_VITVI9 32% 0.508 0.516 PF00234 0 - (0)- - / - / - -
66734_tV_VITVI7 33% 0.194 0.426 PF00234 0 - (0)- - / - / - -
67733_tXI_SELMO14 36% 0.515 0.519 PF00234 0 - (0)- - / - / - -
68732_tV_SELMO10 32% 0.495 0.564 PF00234 0 - (0)- - / - / - -
69731_tV_SELMO11 33% 0.542 0.542 PF00234 0 - (0)- - / - / - -
70730_tV_SELMO10 32% 0.485 0.470 PF00234 0 - (0)- - / - / - -
71729_tVI_SELMO10 34% 0.358 0.508 PF00234 0 - (0)- - / - / - -
72728_tI_SELMO12 47% 0.657 0.639 PF00234 0 - (0)- - / - / - -
73727_tV_SELMO12 36% 0.509 0.510 PF00234 0 - (0)- - / - / - -
74726_tVI_SELMO11 35% 0.522 0.506 PF00234 0 - (0)- - / - / - -
75725_t0_SELMO13 33% 0.392 0.468 PF00234 0 - (0)- - / - / - -
76724_tV_SELMO12 38% 0.451 0.461 PF00234 0 - (0)- - / - / - -
77723_tV_SELMO10 33% 0.514 0.515 PF00234 0 - (0)- - / - / - -
78722_tV_SELMO9 30% 0.363 0.382 PF00234 0 - (0)- - / - / - -
79721_tV_SELMO9 32% 0.400 0.414 PF00234 0 - (0)- - / - / - -
80720_tV_SELMO10 30% 0.531 0.531 PF00234 0 - (0)- - / - / - -
81719_tV_SELMO13 33% 0.427 0.426 PF00234 0 - (0)- - / - / - -
82718_tXI_SELMO13 32% 0.391 0.390 PF00234 0 - (0)- - / - / - -
83717_tXI_SELMO13 32% 0.391 0.390 PF00234 0 - (0)- - / - / - -
84716_tXI_SELMO12 35% 0.371 0.473 PF00234 0 - (0)- - / - / - -
85715_tXI_SELMO11 34% 0.417 0.416 PF00234 0 - (0)- - / - / - -
86714_tV_SELMO10 31% 0.468 0.478 PF00234 0 - (0)- - / - / - -
87713_tV_SELMO9 46% 0.466 0.466 PF00234 0 - (0)- - / - / - -
88712_tV_SELMO9 31% 0.492 0.508 PF00234 0 - (0)- - / - / - -
89711_t0_SELMO19 40% 0.589 0.615 PF00234 0 - (0)- - / - / - -
90710_t0_SELMO7 31% 0.511 0.526 PF00234 0 - (0)- - / - / - -
91709_tV_SELMO9 32% 0.358 0.416 PF00234 0 - (0)- - / - / - -
92708_t0_SELMO15 35% 0.399 0.444 PF00234 0 - (0)- - / - / - -
93707_tVI_SELMO9 29% 0.520 0.483 PF00234 0 - (0)- - / - / - -
94706_tVI_SELMO10 29% 0.466 0.522 PF00234 0 - (0)- - / - / - -
95705_tVI_SELMO11 30% 0.473 0.465 PF00234 0 - (0)- - / - / - -
96704_tV_SELMO10 33% 0.520 0.564 PF00234 0 - (0)- - / - / - -
97703_tVI_SELMO11 30% 0.456 0.575 PF00234 0 - (0)- - / - / - -
98702_tXI_SELMO11 36% 0.636 0.601 PF00234 0 - (0)- - / - / - -
99701_tXI_SELMO11 36% 0.480 0.517 PF00234 0 - (0)- - / - / - -
100700_tVI_SELMO10 26% 0.453 0.449 PF00234 0 - (0)- - / - / - -

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