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]
650bsu3129068 54% 0.515 PF16657 C1_S1100 - (0)20 - / - / 51 9
651bsu0781083 73% 0.563 PF16657 C1_S1110 - (0)20 - / - / 50 11
652bsu1963058 99% 0.595 PF01048 C3_S157 - (38)20 - / - / 50 17
653bsu1734072 100% 0.514 PF01423 C5_S187 - (0)15 - / - / 48 4
654bsu2812049 99% 0.673 PF00202 C1_S1102 - (40)17 - / - / 48 7
655bsu3456070 100% 0.535 PF16657 C1_S1101 - (0)20 - / - / 46 10
656bsu0871052 51% 0.592 PF00202 C1_S192 - (38)20 - / - / 46 8
657bsu0284066 57% 0.502 PF16657 C1_S1100 - (0)20 - / - / 44 8
658bsu2839057 100% 0.547 PF01177 C3_S159 - (42)9 - / - / 43 4
659bsu1760075 76% 0.568 PF01261 C3_S176 - (67)20 - / - / 40 15
660bsu2308051 55% 0.652 PF01487 C4_S157 - (40)20 - / - / 40 9
661bsu2975056 76% 0.544 PF00793 C2_S174 - (74)8 - / - / 38 4
662bsu0584066 50% 0.538 PF00232 C2_S195 - (73)20 - / - / 38 19
663bsu1002037 59% 0.613 PF00266 C1_S152 - (41)3 - / - / 35 1
664bsu4032074 71% 0.595 PF00491 C7_S151 - (22)20 - / - / 32 12
665bsu3392056 69% 0.555 PF00121 C7_S153 - (30)20 - / - / 32 0
666bsu0769052 52% 0.628 PF00557 C2_S181 - (0)20 - / - / 32 11
667bsu2530039 100% 0.636 PF00383 C3_S135 - (23)14 - / - / 31 6
668bsu2248041 59% 0.467 PF02142 C3_S137 - (26)6 - / - / 28 2
669bsu1784039 66% 0.636 PF00903 C1_S151 - (0)14 - / - / 27 4
670bsu0107043 95% 0.418 PF04560 C7_S181 - (0)2 - / - / 25 0
671bsu2788028 34% 0.520 PF00266 C1_S146 - (35)8 - / - / 24 2
672bsu1766040 100% 0.502 PF00692 C7_S1135 - (89)7 - / - / 24 3
673bsu2274038 41% 0.619 PF00348 C1_S151 - (32)17 - / - / 23 6
674bsu0078040 63% 0.593 PF02152 C5_S137 - (25)12 - / - / 22 8
675bsu2751027 44% 0.525 PF00266 C2_S145 - (31)7 - / - / 22 2
676bsu2959025 38% 0.586 PF00266 C1_S138 - (30)7 - / - / 22 2
677bsu1841048 100% 0.612 PF01019 C3_S143 - (24)7 - / - / 22 5
678bsu2002035 100% 0.501 PF00692 C7_S164 - (47)6 - / - / 22 3
679bsu2278029 67% 0.606 PF01227 C13_S122 - (0)8 - / - / 22 3
680bsu2326034 57% 0.649 PF00926 C7_S126 - (0)8 - / - / 21 3
681bsu3155038 34% 0.383 PF00005 C5_S138 - (0)8 - / - / 20 5
682bsu0269044 59% 0.593 PF00710 C8_S143 - (37)15 - / - / 19 4
683bsu3502031 100% 0.656 PF01182 C4_S121 - (16)13 - / - / 18 7
684bsu2361027 55% 0.448 PF00293 C2_S1107 - (44)14 - / - / 18 4
685bsu0236034 50% 0.635 PF01182 C5_S122 - (17)13 - / - / 17 6
686bsu2786045 45% 0.548 PF02749 C7_S133 - (22)10 - / - / 17 3
687bsu1643021 55% 0.538 PF07194 C1_S117 - (0)7 - / - / 16 4
688bsu0093030 50% 0.650 PF12464 C2_S1130 - (86)6 - / - / 16 1
689bsu2245031 44% 0.558 PF12627 C4_S122 - (15)7 - / - / 16 3
690bsu1165024 100% 0.462 PF03070 C4_S136 - (16)9 - / - / 15 3
691bsu1677052 61% 0.622 PF00701 C4_S184 - (75)9 - / - / 15 3
692bsu3712021 79% 0.598 PF01116 C1_S118 - (11)7 - / - / 14 4
693bsu0788030 100% 0.684 PF01451 C6_S129 - (2)9 - / - / 14 4
694bsu3942038 61% 0.640 PF01791 C2_S137 - (9)8 - / - / 14 2
695bsu3495020 59% 0.568 PF00295 C2_S137 - (0)9 - / - / 14 4
696bsu0166025 100% 0.558 PF01915 C1_S134 - (15)16 - / - / 14 4
697bsu2573024 41% 0.464 PF03446 C1_S130 - (16)9 - / - / 13 4
698bsu3637038 52% 0.593 PF07977 C2_S123 - (0)18 - / - / 13 0
699bsu3315023 99% 0.568 PF01923 C5_S131 - (0)8 - / - / 13 3
700bsu1303022 58% 0.527 PF03061 C2_S131 - (26)3 - / - / 12 2

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