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]
600bsu2756022 61% 0.525 PF03129 C1_S19 - (0)2 - / 3 / 2 1
601bsu0518020 25% 0.469 PF00155 C2_S125 - (15)4 - / 1 / - 1
602bsu0357017 99% 0.855 PF01648 C5_S119 - (17)3 - / 5 / 2 1
603bsu3555012 36% 0.458 PF00652 C1_S130 - (18)2 - / - / 2 1
604bsu1902022 51% 0.548 PF01593 C4_S179 - (78)3 3 / 3 / - 1
605bsu1610020 64% 0.660 PF00549 C3_S119 - (12)2 - / 9 / - 1
606bsu151203 100% 0.555 PF01442 C6_S16 - (0)1 - / - / 3 1
607bsu1856024 35% 0.572 PF02826 C3_S150 - (39)6 - / 1 / 3 1
608bsu0001018 39% 0.526 PF08299 C2_S116 - (0)2 - / 7 / - 1
609bsu2004022 87% 0.548 PF00268 C4_S12 - (0)2 - / - / 1 1
610bsu2970010 43% 0.510 PF00571 C1_S161 - (58)2 - / - / 2 1
611bsu3506020 99% 0.541 PF00067 C2_S178 - (0)4 6 / - / - 1
612bsu0784023 99% 0.592 PF00149 C1_S118 - (0)5 - / - / 3 1
613bsu1233023 39% 0.491 PF00107 C1_S136 - (20)6 - / 2 / 3 1
614bsu1746019 100% 0.575 PF03951 C5_S129 - (29)1 - / - / 1 1
615bsu3298028 35% 0.494 PF00106 C1_S1123 - (96)4 7 / - / 2 1
616bsu3114013 100% 0.612 PF05995 C1_S121 - (12)2 - / - / 3 1
617bsu3492021 100% 0.568 PF01634 C5_S118 - (6)1 - / - / 2 1
618bsu0882027 67% 0.439 PF06628 C5_S119 - (4)4 11 / - / 2 1
619bsu1376016 60% 0.535 PF01638 C2_S112 - (0)4 - / - / 2 1
620bsu1040020 67% 0.446 PF00106 C3_S136 - (25)4 4 / - / 2 1
621bsu3300025 43% 0.604 PF13180 C3_S121 - (0)2 - / 1 / 10 1
622bsu2937019 98% 0.516 PF00497 C4_S128 - (0)1 - / - / 2 1
623bsu410507 99% 0.589 PF00825 C4_S14 - (0)1 - / - / 2 1
624bsu2277066 100% 0.809 PF02081 C16_S192 - (0)2 - / 3 / 47 1
625bsu3952020 49% 0.539 PF00296 C3_S119 - (9)2 - / 1 / 2 1
626bsu4085027 70% 0.635 PF00132 C1_S169 - (35)4 - / - / 12 1
627bsu0158017 65% 0.452 PF01740 C2_S17 - (0)1 - / 3 / - 1
628bsu0947024 44% 0.475 PF02028 C10_S169 - (0)6 - / - / 7 1
629bsu3454026 100% 0.636 PF00574 C7_S132 - (0)4 - / - / 10 1
630bsu1737020 100% 0.677 PF07972 C4_S125 - (24)2 10 / - / - 1
631bsu0265020 74% 0.669 PF01470 C3_S112 - (0)4 - / - / 5 1
632bsu1836018 100% 0.546 PF01263 C3_S111 - (0)4 - / - / 4 1
633bsu371608 100% 0.549 PF00613 C5_S118 - (0)1 - / - / 1 1
634bsu2217017 63% 0.665 PF05175 C2_S120 - (0)1 - / 3 / - 1
635bsu0391021 56% 0.581 PF00171 C4_S113 - (0)3 1 / - / - 1
636bsu0941030 39% 0.539 PF00245 C5_S116 - (4)8 - / - / 2 1
637bsu107903 33% 0.365 PF01380 C3_S15 - (4)1 - / - / 1 1
638bsu0102022 93% 0.589 PF03946 C2_S16 - (0)2 - / - / 2 1
639bsu1523019 79% 0.621 PF02873 C3_S156 - (39)3 9 / - / 1 1
640bsu3003520 41% 0.554 PF01479 C2_S17 - (0)3 - / - / 1 1
641bsu1342021 50% 0.532 PF13426 C2_S17 - (0)2 - / - / 5 1
642bsu1150012 100% 0.787 PF13417 C2_S118 - (0)2 - / - / 1 1
643bsu3019055 100% 0.559 PF00067 C5_S1150 - (0)5 33 / - / 2 1
644bsu2965019 38% 0.340 PF00072 C1_S142 - (0)1 - / - / 2 1
645bsu3570019 38% 0.301 PF00005 C1_S17 - (0)2 - / - / 2 1
646bsu1166010 100% 0.633 PF02581 C1_S113 - (3)4 - / - / 3 1
647bsu3117018 35% 0.525 PF01408 C1_S142 - (13)2 - / 2 / 1 1
648bsu0771023 97% 0.533 PF00884 C7_S19 - (0)3 - / - / 3 1
649bsu338909 99% 0.535 PF00583 C2_S146 - (22)2 - / 6 / - 1
650bsu0081020 37% 0.619 PF01207 C1_S182 - (44)2 5 / 3 / - 1

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