Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000001570 (Bacillus subtilis - May 2016)

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]
700bsu3820021 47% 0.606 PF00288 C2_S141 - (30)5 - / - / 8 3
701bsu082300 36% -0.187 PF00288 1 - (1)? - / - / - 0
702bsu3224016 41% 0.478 PF00288 C1_S143 - (35)3 - / - / 3 1
703bsu0046031 37% 0.507 PF00288 C1_S166 - (46)17 - / 6 / 13 6
704bsu017200 33% 0.068 PF00290 4 - (0)? - / - / - 0
705bsu0927016 48% 0.571 PF00290 7 - (1)1 - / - / - 0
706bsu2263066 43% 0.589 PF00290 C3_S157 - (27)20 - / 4 / 41 16
707bsu1613065 43% 0.616 PF00290 C1_S153 - (24)20 - / 4 / 41 16
708bsu2264085 61% 0.590 PF00291 C3_S184 - (75)19 7 / 13 / 44 10
709bsu2377019 57% 0.615 PF00291 C1_S110 - (8)3 - / - / 3 1
710bsu2177027 43% 0.376 PF00291 C1_S129 - (26)5 - / 2 / 13 2
711bsu3225021 61% 0.541 PF00291 C2_S164 - (55)4 - / 2 / 7 2
712bsu0073076 84% 0.600 PF00291 C2_S183 - (53)20 - / 8 / 60 9
713bsu2726069 53% 0.627 PF00291 C2_S181 - (52)16 - / 4 / 50 6
714bsu2997067 58% 0.555 PF00291 C3_S168 - (46)15 - / 5 / 48 6
715bsu347805 59% 0.598 PF00293 13 - (0)? - / - / - 0
716bsu3063014 100% 0.524 PF00293 C3_S116 - (0)2 - / 1 / 2 2
717bsu1219015 47% 0.468 PF00293 17 - (0)1 - / - / - 0
718bsu2361027 55% 0.448 PF00293 C2_S1107 - (44)14 - / - / 18 4
719bsu1740018 35% 0.394 PF00293 0 - (0)? - / - / - 0
720bsu163400 35% 0.490 PF00294 8 - (6)? - / - / - 0
721bsu3974020 77% 0.516 PF00294 29 - (20)1 - / - / - 0
722bsu1439023 52% 0.498 PF00294 C1_S143 - (32)9 - / 1 / 8 4
723bsu0617020 37% 0.494 PF00294 C1_S153 - (35)4 - / - / 3 2
724bsu2211019 48% 0.470 PF00294 C1_S150 - (36)2 - / - / 3 0
725bsu3592030 42% 0.578 PF00294 C1_S169 - (56)8 - / 1 / 28 3
726bsu295100 40% 0.486 PF00294 5 - (0)? - / - / - 0
727bsu3257013 26% 0.457 PF00294 C2_S110 - (6)1 - / - / 1 0
728bsu3495020 59% 0.568 PF00295 C2_S137 - (0)9 - / - / 14 4
729bsu2045012 25% 0.273 PF00295 5 - (0)? - / - / - 0
730bsu0368012 41% 0.446 PF00295 8 - (0)? - / - / - 0
731bsu3952020 49% 0.539 PF00296 C3_S119 - (9)2 - / 1 / 2 1
732bsu2931020 100% 0.582 PF00296 C2_S119 - (9)1 - / 1 / - 1
733bsu0886020 64% 0.611 PF00296 11 - (6)? - / - / - 0
734bsu0288017 40% 0.579 PF00296 22 - (9)? - / - / - 0
735bsu3810019 38% 0.560 PF00296 19 - (5)? - / - / - 0
736bsu2933018 31% 0.497 PF00296 16 - (8)? - / - / - 0
737bsu0504017 30% 0.534 PF00296 20 - (9)? - / - / - 0
738bsu3398019 35% 0.513 PF00296 15 - (7)? - / - / - 0
739bsu0116020 100% 0.316 PF00297 0 - (0)? - / - / - 0
740bsu1034015 72% 0.459 PF00300 C1_S117 - (13)2 - / - / 1 0
741bsu205100 41% 0.480 PF00300 2 - (2)? - / - / - 0
742bsu146290 43% 0.641 PF00301 0 - (0)? - / - / - 0
743bsu187000 36% 0.683 PF00301 0 - (0)? - / - / - 0
744bsu1768055 100% 0.716 PF00303 C8_S172 - (38)18 - / 9 / 30 7
745bsu113504 40% 0.260 PF00303 20 - (17)? - / - / - 0
746bsu270400 44% 0.087 PF00303 2 - (0)? - / - / - 0
747bsu2182058 98% 0.702 PF00303 C8_S175 - (41)18 - / 9 / 32 7
748bsu331300 36% -0.018 PF00305 1 - (0)? - / - / - 0
749bsu232301 40% 0.438 PF00311 8 - (0)? - / - / - 0
750bsu1668013 81% 0.815 PF00312 0 - (0)? - / - / - 0

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