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]
300bsu0301017 33% 0.552 PF01546 7 - (0)? - / - / - 0
301bsu030200 29% -0.045 PF01193 0 - (0)? - / - / - 0
302bsu030300 57% 0.279 PF06827 15 - (0)? - / - / - 0
303bsu0304020 99% 0.786 PF02806 C2_S118 - (0)3 - / 1 / - 0
304bsu0305051 100% 0.625 PF00056 C5_S161 - (53)6 14 / 16 / 2 2
305bsu030603 16% 0.344 -1 - (0)? - / - / - 0
306bsu0307015 22% 0.305 PF07690 9 - (0)? - / - / - 0
307bsu030807 47% 0.366 PF02746 30 - (0)? - / - / - 0
308bsu030900 45% -0.178 PF01656 0 - (0)? - / - / - 0
309bsu031000 27% 0.341 PF00148 2 - (0)? - / - / - 0
310bsu031105 33% 0.399 PF13520 5 - (0)? - / - / - 0
311bsu031200 50% 0.134 PF07286 1 - (0)? - / - / - 0
312bsu0313033 100% 0.789 PF02540 C5_S166 - (59)12 - / 14 / 16 5
313bsu0314016 39% 0.603 PF01202 15 - (11)? - / - / - 0
314bsu0315025 46% 0.506 PF01202 C3_S148 - (41)7 - / 1 / 6 3
315bsu0316016 99% 0.533 PF02527 C1_S132 - (18)1 - / 1 / - 0
316bsu0317018 40% 0.595 PF03466 1 - (0)? - / - / - 0
317bsu0318021 99% 0.867 PF05448 C1_S124 - (0)1 - / - / 1 1
318bsu031900 42% 0.122 PF01568 8 - (8)? - / - / - 0
319bsu0320014 42% 0.542 PF01261 C2_S117 - (0)4 5 / 2 / - 2
320bsu0321049 90% 0.555 PF00171 C4_S153 - (0)17 - / 16 / 13 6
321bsu032207 27% 0.294 PF13520 2 - (0)? - / - / - 0
322bsu032305 37% 0.534 PF00331 2 - (0)? - / - / - 0
323bsu032402 19% 0.500 PF00436 3 - (0)? - / - / - 0
324bsu032500 30% 0.256 PF00584 0 - (0)? - / - / - 0
325bsu032608 31% 0.414 PF12697 27 - (8)? - / - / - 0
326bsu0327020 49% 0.568 PF07992 C1_S163 - (49)2 7 / - / - 1
327bsu0328022 43% 0.620 PF00590 C2_S133 - (30)3 - / 9 / 1 1
328bsu0329018 29% 0.522 PF00355 C3_S113 - (0)1 - / - / 1 0
329bsu0330022 33% 0.571 PF07992 C3_S181 - (55)4 - / - / 3 0
330bsu0331017 38% 0.466 PF01568 43 - (0)? - / - / - 0
331bsu0332020 32% 0.510 PF07992 C2_S178 - (47)2 - / - / 2 0
332bsu0333017 29% 0.324 PF07690 21 - (0)? - / - / - 0
333bsu033406 37% 0.386 PF02649 5 - (2)? - / - / - 0
334bsu0335015 24% 0.376 PF03734 2 - (0)? - / - / - 0
335bsu033590 35% 0.177 PF03291 0 - (0)? - / - / - 0
336bsu0336019 51% 0.560 PF01642 9 - (0)? - / - / - 0
337bsu0337014 35% 0.351 PF00528 19 - (0)1 - / - / - 0
338bsu0338019 97% 0.617 PF00497 40 - (0)? - / - / - 0
339bsu033900 33% 0.502 PF09303 1 - (0)? - / - / - 0
340bsu034000 42% 0.726 PF00210 0 - (0)? - / - / - 0
341bsu0341066 42% 0.503 PF00232 C3_S174 - (58)20 - / 1 / 40 22
342bsu034200 54% 0.733 PF00576 3 - (0)? - / - / - 0
343bsu034300 28% 0.368 -2 - (0)? - / - / - 0
344bsu0344013 49% 0.517 PF00015 0 - (0)? - / - / - 0
345bsu0345017 99% 0.654 PF01380 9 - (0)? - / - / - 0
346bsu0346038 44% 0.639 PF00215 126 - (118)3 - / - / - 0
347bsu0347017 55% 0.485 PF01638 C3_S110 - (0)4 - / - / 1 0
348bsu0348021 50% 0.456 PF00550 C2_S114 - (0)1 - / 2 / - 1
349bsu0349024 51% 0.520 PF00550 C1_S127 - (14)5 - / 8 / - 3
350bsu035000 29% 0.474 PF16550 0 - (0)? - / - / - 0

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