Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000823 (STRA3: Streptococcus agalactiae serotype III - Nov 2015)

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)
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]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
400gbs041919 31% 0.571 PF07859 15 - (0)? - / - / - 0
401gbs042014 52% 0.610 PF03965 C4_S114 - (0)2 - / - / 2 0
402gbs042124 51% 0.397 PF00702 C3_S116 - (0)5 - / 6 / 1 2
403gbs04222 38% 0.525 PF00403 8 - (0)? - / - / - 0
404gbs04230 53% -0.013 PF00108 0 - (0)? - / - / - 0
405gbs042420 37% 0.579 PF08282 20 - (2)3 - / - / - 0
406gbs042614 39% 0.635 PF00549 13 - (10)? - / - / - 0
407gbs042714 72% 0.632 PF01475 0 - (0)? - / - / - 0
408gbs04280 26% 0.019 PF00089 0 - (0)? - / - / - 0
409gbs042915 49% 0.507 PF00072 C4_S111 - (0)2 - / - / 1 0
410gbs043019 37% 0.565 PF00512 C3_S133 - (26)4 1 / 3 / - 3
411gbs04310 41% 0.275 PF07575 1 - (0)? - / - / - 0
412gbs043252 51% 0.538 PF01702 C6_S141 - (16)20 - / 8 / 24 21
413gbs04330 38% 0.068 PF06093 1 - (0)? - / - / - 0
414gbs04340 38% 0.699 PF02142 0 - (0)? - / - / - 0
415gbs043517 44% 0.561 PF00753 9 - (0)? - / - / - 0
416gbs043619 73% 0.562 PF00383 C4_S127 - (8)2 - / 1 / 4 0
417gbs043720 65% 0.511 PF00342 C2_S111 - (8)2 - / - / 2 2
418gbs04388 48% 0.566 PF01812 C8_S113 - (0)1 - / - / 1 1
419gbs04394 32% 0.192 PF12122 46 - (0)? - / - / - 0
420gbs044018 38% 0.480 PF02608 C3_S114 - (0)3 - / 5 / - 3
421gbs044120 46% 0.534 PF00483 C1_S138 - (30)4 - / 9 / 1 2
422gbs044220 42% 0.537 PF01210 C1_S122 - (16)2 2 / - / 1 2
423gbs04437 49% 0.626 PF00825 C3_S12 - (0)1 - / - / 1 0
424gbs04447 36% 0.360 PF02096 4 - (0)? - / - / - 0
425gbs04454 35% 0.428 PF01993 1 - (0)? - / - / - 0
426gbs04462 41% 0.472 PF02274 3 - (0)? - / - / - 0
427gbs044710 38% 0.657 PF02631 2 - (0)? - / - / - 0
428gbs044818 42% 0.424 PF13847 27 - (19)? - / - / - 0
429gbs044912 25% 0.568 PF01048 25 - (8)? - / - / - 0
430gbs045012 46% 0.424 PF00583 51 - (30)? - / - / - 0
431gbs045120 44% 0.494 PF00082 0 - (0)? - / - / - 0
432gbs04526 31% 0.305 PF00535 27 - (14)? - / - / - 0
433gbs045320 53% 0.506 PF00268 5 - (0)? - / - / - 0
434gbs045418 51% 0.566 PF00258 C3_S136 - (32)2 7 / - / - 1
435gbs045518 56% 0.480 PF00317 C4_S18 - (8)3 - / 2 / 2 3
436gbs04569 48% 0.354 PF01582 8 - (0)? - / - / - 0
437gbs045717 33% 0.521 PF01243 26 - (15)? - / - / - 0
438gbs045810 20% 0.547 PF13411 11 - (0)? - / - / - 0
439gbs04591 38% 0.294 PF03175 9 - (0)? - / - / - 0
440gbs046016 43% 0.394 PF02627 5 - (0)? - / - / - 0
441gbs046120 42% 0.507 PF03079 C2_S110 - (0)1 - / - / 1 1
442gbs046213 52% 0.686 PF13411 22 - (0)1 - / - / - 0
443gbs046414 29% 0.381 PF00107 20 - (13)? - / - / - 0
444gbs046632 47% 0.574 PF00248 C7_S1185 - (128)6 - / - / 8 0
445gbs04676 33% 0.154 PF01545 2 - (0)? - / - / - 0
446gbs046818 98% 0.708 PF00440 C1_S118 - (0)2 - / - / 6 1
447gbs046912 36% 0.840 PF12833 28 - (0)? - / - / - 0
448gbs04706 21% 0.293 PF07714 1 - (0)? - / - / - 0
449gbs04719 27% 0.458 PF04221 2 - (0)? - / - / - 0
450gbs04724 17% 0.500 PF02452 0 - (0)? - / - / - 0

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