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]
250bsu0014014 34% 0.546 PF01712 C1_S167 - (53)5 - / 8 / 2 3
251bsu2872020 72% 0.526 PF06964 C5_S122 - (19)8 - / - / 8 3
252bsu3294030 32% 0.546 PF00005 C1_S122 - (0)7 - / 1 / 9 3
253bsu3820021 47% 0.606 PF00288 C2_S141 - (30)5 - / - / 8 3
254bsu0088018 44% 0.644 PF00633 C5_S122 - (0)6 - / 10 / 7 3
255bsu0300019 100% 0.584 PF04069 C2_S120 - (0)6 - / - / 8 3
256bsu3020017 31% 0.570 PF02374 C1_S144 - (39)8 - / 8 / 3 3
257bsu2357032 73% 0.563 PF00206 C3_S116 - (10)7 - / - / 10 3
258bsu2214025 55% 0.605 PF00106 C1_S1120 - (69)9 3 / 5 / 1 3
259bsu2993020 100% 0.545 PF02922 C1_S117 - (0)6 - / - / 6 3
260bsu1396027 42% 0.570 PF03446 C1_S128 - (15)5 4 / 1 / 2 3
261bsu2237030 46% 0.629 PF00155 C1_S139 - (30)7 - / 1 / 22 3
262bsu3105023 39% 0.558 PF00465 C4_S139 - (35)4 2 / 3 / - 3
263bsu1467028 50% 0.529 PF00459 C6_S137 - (29)13 - / - / 10 3
264bsu4000026 36% 0.600 PF00106 C2_S199 - (71)7 4 / - / 8 3
265bsu3315023 99% 0.568 PF01923 C5_S131 - (0)8 - / - / 13 3
266bsu3140028 48% 0.665 PF00155 C1_S141 - (29)7 - / 1 / 18 3
267bsu3692030 55% 0.527 PF02502 C9_S150 - (37)15 - / - / 9 3
268bsu3782023 48% 0.584 PF04321 C1_S160 - (56)4 7 / 1 / - 3
269bsu0349024 51% 0.520 PF00550 C1_S127 - (14)5 - / 8 / - 3
270bsu3445024 100% 0.817 PF02435 C4_S133 - (11)7 - / - / 4 3
271bsu0660025 100% 0.692 PF01884 C2_S127 - (0)7 - / 2 / 6 3
272bsu2786045 45% 0.548 PF02749 C7_S133 - (22)10 - / - / 17 3
273bsu0648019 48% 0.515 PF02769 C3_S128 - (19)6 - / - / 7 3
274bsu3623019 46% 0.569 PF03721 C1_S123 - (13)7 1 / 4 / 2 3
275bsu3567022 53% 0.488 PF00483 C1_S166 - (52)10 - / 11 / 5 3
276bsu1919019 100% 0.513 PF07730 C2_S116 - (14)5 - / 7 / 3 3
277bsu1003032 100% 0.468 PF01230 C3_S182 - (0)9 - / 4 / 7 3
278bsu0400049 52% 0.528 PF00180 C6_S152 - (42)13 - / 4 / 26 3
279bsu3109031 100% 0.548 PF02254 C3_S150 - (0)3 - / 11 / 2 3
280bsu2529020 100% 0.804 PF00398 C1_S112 - (8)4 - / 3 / 2 3
281bsu2408020 79% 0.618 PF02812 C7_S117 - (0)6 2 / 6 / 3 3
282bsu3715019 73% 0.522 PF00117 C3_S16 - (0)4 - / - / 5 3
283bsu1370021 63% 0.572 PF10431 C1_S118 - (0)6 - / 12 / - 3
284bsu0086018 99% 0.444 PF10431 C1_S126 - (0)6 1 / 15 / - 3
285bsu3760023 49% 0.487 PF07647 C3_S114 - (0)7 - / 1 / 4 3
286bsu1025023 47% 0.584 PF03099 C2_S127 - (17)12 3 / 2 / 13 3
287bsu2002035 100% 0.501 PF00692 C7_S164 - (47)6 - / - / 22 3
288bsu2311021 42% 0.414 PF00512 C3_S118 - (15)5 - / 7 / 2 3
289bsu2828020 55% 0.549 PF00682 C2_S117 - (10)6 - / - / 6 3
290bsu3464019 100% 0.586 PF03641 C3_S127 - (7)8 - / - / 6 3
291bsu1165024 100% 0.462 PF03070 C4_S136 - (16)9 - / - / 15 3
292bsu2385020 45% 0.554 PF00479 C1_S115 - (13)7 1 / 1 / 7 3
293bsu0092024 43% 0.577 PF00749 C5_S117 - (14)5 - / 5 / 3 3
294bsu0113053 77% 0.566 PF03143 C1_S165 - (0)6 14 / 30 / 7 3
295bsu2919027 100% 0.813 PF00365 C3_S117 - (4)6 - / - / 11 3
296bsu3717037 57% 0.452 PF02771 C1_S135 - (35)7 7 / 11 / 5 3
297bsu1565030 37% 0.440 PF08282 C1_S129 - (23)9 - / 4 / 6 3
298bsu3085021 51% 0.501 PF00483 C1_S156 - (45)5 - / 9 / 2 3
299bsu3197020 57% 0.522 PF00857 C5_S124 - (0)6 - / 6 / - 3
300bsu0315025 46% 0.506 PF01202 C3_S148 - (41)7 - / 1 / 6 3

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