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]
450gbs146917 73% 0.365 PF01595 C1_S124 - (0)1 - / - / 2 1
451gbs190620 79% 0.487 PF03949 C5_S117 - (12)1 - / - / 1 0
452gbs057512 33% 0.486 PF02566 C1_S121 - (0)1 - / - / 1 0
453gbs14049 36% 0.467 PF01327 C5_S181 - (11)1 - / - / 1 0
454gbs120016 31% 0.333 PF08282 17 - (3)1 - / - / - 0
455gbs093121 48% 0.475 PF02887 42 - (0)1 - / - / - 0
456gbs134316 72% 0.562 PF06414 C2_S128 - (17)1 - / - / 1 1
457gbs026820 61% ? PF00456 C1_S14 - (4)1 - / 1 / - 1
458gbs046120 42% 0.507 PF03079 C2_S110 - (0)1 - / - / 1 1
459gbs09325 42% 0.439 PF10502 C5_S111 - (0)1 - / - / 1 0
460gbs080913 45% 0.480 PF00874 C5_S18 - (0)1 - / - / 2 0
461gbs019616 30% 0.397 PF00175 63 - (35)1 - / - / - 0
462gbs18018 35% 0.527 PF00583 108 - (48)1 - / - / - 0
463gbs032816 56% 0.621 PF13419 C1_S122 - (8)1 - / - / 1 0
464gbs029216 80% 0.583 PF05175 C1_S120 - (0)1 - / 2 / 1 1
465gbs160513 31% 0.369 PF00535 42 - (24)1 - / - / - 0
466gbs11623 79% 0.508 PF01877 4 - (0)1 - / - / - 0
467gbs123318 44% 0.468 PF02348 C2_S121 - (17)1 - / - / 1 1
468gbs052210 97% 0.644 PF08245 C1_S139 - (19)1 - / - / 1 0
469gbs158920 83% 0.611 PF01297 C7_S14 - (0)1 - / - / 1 1
470gbs199915 56% 0.475 PF00581 14 - (0)1 - / - / - 0
471gbs160020 33% 0.582 PF00106 56 - (42)1 - / - / - 0
472gbs10515 34% 0.501 PF00072 3 - (0)1 - / - / - 0
473gbs103115 83% 0.704 PF00325 C1_S15 - (0)1 - / - / 1 1
474gbs191519 71% 0.586 PF01791 C5_S111 - (4)1 - / - / 2 1
475gbs146110 31% 0.477 PF08245 C2_S121 - (13)1 - / - / 1 1
476gbs110016 37% 0.473 PF00408 11 - (10)1 - / - / - 0
477gbs116421 53% 0.638 PF13793 C4_S136 - (17)1 - / - / 4 1
478gbs025920 41% 0.602 PF02525 64 - (39)1 - / - / - 0
479gbs173217 51% 0.545 PF01238 C3_S19 - (0)1 - / - / 1 0
480gbs035921 54% 0.603 PF00005 C1_S118 - (0)1 - / - / 1 1
481gbs150920 53% 0.498 PF00356 C2_S127 - (0)1 - / - / 1 0
482gbs172520 36% 0.532 PF00248 30 - (22)1 - / - / - 0
483gbs20276 38% 0.440 PF00392 28 - (0)1 - / - / - 0
484gbs168821 56% 0.459 PF03180 C8_S112 - (1)1 - / - / 9 0
485gbs117110 36% 0.505 PF00657 C2_S18 - (0)1 - / - / 1 0
486gbs161820 45% 0.564 PF01035 C10_S134 - (0)1 - / - / 1 0
487gbs05027 29% 0.322 PF01078 3 - (0)1 - / - / - 0
488gbs139014 40% 0.535 PF00781 15 - (10)1 - / - / - 0
489gbs139615 59% 0.530 PF00288 C2_S144 - (30)1 - / - / 3 1
490gbs077614 53% 0.537 PF00081 17 - (0)1 - / - / - 0
491gbs201018 40% 0.414 PF00512 C1_S132 - (25)1 - / 1 / - 1
492gbs181517 51% 0.624 PF00156 C2_S143 - (35)1 - / - / 2 0
493gbs168420 33% 0.527 PF00107 31 - (20)1 - / - / - 0
494gbs125812 66% 0.583 PF00756 11 - (0)1 - / - / - 0
495gbs189212 99% 0.624 PF02502 C4_S119 - (0)1 - / - / 1 1
496gbs103219 52% 0.542 PF01687 C4_S135 - (10)1 - / - / 1 0
497gbs084521 64% 0.522 PF13185 C2_S116 - (6)1 - / - / 9 0
498gbs00039 29% 0.524 PF00781 C6_S115 - (11)1 - / - / 1 1
499gbs143519 41% 0.547 PF01479 C4_S114 - (0)1 - / - / 2 0
500gbs028115 35% 0.351 PF00528 C4_S114 - (0)1 - / - / 2 1

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