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]
500bsu0480020 99% 0.530 PF00171 30 - (0)? - / - / - 0
501bsu146503 100% 0.572 PF00171 1 - (0)? - / - / - 0
502bsu0321049 90% 0.555 PF00171 C4_S153 - (0)17 - / 16 / 13 6
503bsu3778051 70% 0.554 PF00171 C4_S153 - (0)18 - / 17 / 15 6
504bsu0735023 48% 0.553 PF00171 C3_S127 - (0)6 1 / - / 3 3
505bsu1931021 62% 0.603 PF00171 C4_S126 - (26)1 - / 1 / - 0
506bsu3986025 39% 0.533 PF00171 C3_S118 - (7)8 - / 1 / 6 4
507bsu0247020 41% 0.530 PF00171 30 - (0)? - / - / - 0
508bsu3796027 45% 0.609 PF00171 C4_S128 - (12)9 - / 6 / 4 3
509bsu1313014 33% 0.449 PF00171 4 - (0)1 - / - / - 0
510bsu111390 44% 0.376 PF00172 0 - (0)? - / - / - 0
511bsu262590 58% 0.409 PF00172 6 - (0)? - / - / - 0
512bsu320207 30% 0.443 PF00174 41 - (11)? - / - / - 0
513bsu148208 23% 0.626 PF00174 8 - (0)? - / - / - 0
514bsu1304030 56% 0.582 PF00175 C1_S173 - (29)10 16 / 3 / 4 2
515bsu1553017 46% 0.513 PF00175 C2_S134 - (24)2 5 / - / - 1
516bsu3344073 46% 0.544 PF00175 C2_S1106 - (90)8 37 / 15 / 1 4
517bsu220190 22% 0.476 PF00176 2 - (0)? - / - / - 0
518bsu0111020 88% 0.611 PF00177 7 - (0)1 - / - / - 0
519bsu386900 50% 0.852 PF00179 0 - (0)? - / - / - 0
520bsu0400049 52% 0.528 PF00180 C6_S152 - (42)13 - / 4 / 26 3
521bsu2827051 77% 0.622 PF00180 C5_S155 - (46)15 - / 6 / 31 4
522bsu067400 29% 0.332 PF00180 3 - (0)? - / - / - 0
523bsu092200 38% 0.129 PF00180 12 - (12)? - / - / - 0
524bsu2913043 100% 0.868 PF00180 C7_S156 - (52)17 - / 13 / 23 5
525bsu237000 35% 0.445 PF00183 3 - (0)? - / - / - 0
526bsu3982013 42% 0.498 PF00183 C2_S19 - (0)4 - / - / 9 2
527bsu2181076 56% 0.668 PF00186 C4_S1117 - (73)20 42 / 19 / 13 11
528bsu206400 44% -0.106 PF00186 4 - (4)? - / - / - 0
529bsu181400 48% 0.544 PF00186 3 - (0)? - / - / - 0
530bsu1496015 47% 0.380 PF00188 1 - (0)? - / - / - 0
531bsu1397015 41% 0.413 PF00188 2 - (0)? - / - / - 0
532bsu362200 26% -0.047 PF00190 0 - (0)? - / - / - 0
533bsu1867019 59% 0.540 PF00190 2 - (0)? - / - / - 0
534bsu122705 38% 0.158 PF00190 6 - (0)? - / - / - 0
535bsu0441011 43% 0.681 PF00190 20 - (6)? - / - / - 0
536bsu347290 33% 0.414 PF00193 5 - (0)? - / - / - 0
537bsu193508 58% 0.399 PF00195 C5_S125 - (0)7 - / 3 / 4 1
538bsu2205020 33% 0.507 PF00195 7 - (0)? - / - / - 0
539bsu3174013 30% 0.493 PF00196 11 - (0)? - / - / - 0
540bsu0572020 37% 0.569 PF00201 27 - (0)? - / - / - 0
541bsu1222020 37% 0.601 PF00201 C2_S137 - (0)2 - / 2 / 1 1
542bsu1942019 28% 0.553 PF00201 C1_S135 - (0)1 - / - / 1 1
543bsu1122051 45% 0.565 PF00202 C1_S155 - (34)10 - / 4 / 21 3
544bsu042400 31% 0.033 PF00202 31 - (17)? - / - / - 0
545bsu1974029 39% 0.538 PF00202 C1_S159 - (40)5 - / - / 8 1
546bsu016805 47% 0.515 PF00202 0 - (0)? - / - / - 0
547bsu210903 26% 0.244 PF00202 0 - (0)? - / - / - 0
548bsu0871052 51% 0.592 PF00202 C1_S192 - (38)20 - / - / 46 8
549bsu0390053 47% 0.585 PF00202 C1_S161 - (32)10 - / 6 / 20 3
550bsu0926035 67% 0.521 PF00202 C1_S146 - (22)5 - / - / 12 2

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