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]
300bsu2773019 59% 0.578 PF05496 C2_S119 - (0)7 - / 10 / 5 3
301bsu1356018 100% 0.542 PF01636 C1_S146 - (30)4 - / 10 / 4 2
302bsu0893022 70% 0.643 PF00588 C3_S140 - (0)5 - / 10 / 3 0
303bsu3970019 100% 0.605 PF02894 C1_S139 - (0)9 - / 10 / 3 3
304bsu2836022 52% 0.534 PF01725 C2_S120 - (12)6 - / 10 / 2 2
305bsu3354023 56% 0.578 PF02525 C1_S1168 - (89)7 - / 10 / 2 2
306bsu2346019 75% 0.584 PF13581 C4_S126 - (25)4 - / 10 / 1 2
307bsu3797056 100% 0.634 PF03167 C7_S193 - (0)20 - / 9 / 32 12
308bsu2182058 98% 0.702 PF00303 C8_S175 - (41)18 - / 9 / 32 7
309bsu1768055 100% 0.716 PF00303 C8_S172 - (38)18 - / 9 / 30 7
310bsu3042053 44% 0.655 PF00005 C1_S139 - (0)12 - / 9 / 27 5
311bsu4088062 54% 0.580 PF03372 C1_S1139 - (0)9 - / 9 / 23 1
312bsu1125047 60% 0.581 PF02729 C5_S165 - (46)14 - / 9 / 22 6
313bsu3373035 43% 0.641 PF08402 C2_S135 - (0)9 - / 9 / 5 4
314bsu2811029 35% 0.332 PF00005 C2_S116 - (0)7 - / 9 / 3 3
315bsu3700019 47% 0.501 PF05175 C2_S139 - (0)6 - / 9 / 3 1
316bsu3085021 51% 0.501 PF00483 C1_S156 - (45)5 - / 9 / 2 3
317bsu0831028 47% 0.595 PF08402 C1_S140 - (0)5 - / 9 / 2 2
318bsu0328022 43% 0.620 PF00590 C2_S133 - (30)3 - / 9 / 1 1
319bsu2236023 46% 0.520 PF01336 C7_S122 - (16)10 - / 9 / 1 5
320bsu1561024 47% 0.637 PF00590 C1_S131 - (28)3 - / 9 / 1 1
321bsu3641019 51% 0.613 PF00012 C1_S133 - (24)4 - / 9 / - 2
322bsu3811019 100% 0.499 PF00881 C3_S172 - (42)2 - / 9 / - 1
323bsu1610020 64% 0.660 PF00549 C3_S119 - (12)2 - / 9 / - 1
324bsu0029020 100% 0.607 PF00543 C1_S122 - (0)2 - / 9 / - 1
325bsu0073076 84% 0.600 PF00291 C2_S183 - (53)20 - / 8 / 60 9
326bsu4034056 78% 0.554 PF00202 C1_S184 - (55)12 - / 8 / 30 4
327bsu1456054 66% 0.601 PF01327 C5_S1112 - (23)20 - / 8 / 24 8
328bsu1161022 59% 0.539 PF01513 C2_S141 - (32)20 - / 8 / 15 13
329bsu0967022 44% 0.560 PF01063 C8_S151 - (39)12 - / 8 / 14 5
330bsu2864032 79% 0.477 PF01409 C1_S126 - (13)11 - / 8 / 6 8
331bsu3964030 42% 0.499 PF00005 C1_S123 - (22)8 - / 8 / 5 4
332bsu0972023 47% 0.473 PF00005 C1_S126 - (0)9 - / 8 / 4 4
333bsu3020017 31% 0.570 PF02374 C1_S144 - (39)8 - / 8 / 3 3
334bsu0014014 34% 0.546 PF01712 C1_S167 - (53)5 - / 8 / 2 3
335bsu1447018 51% 0.545 PF00012 C1_S129 - (0)5 - / 8 / 2 2
336bsu3850022 100% 0.559 PF13193 C2_S126 - (16)7 - / 8 / 2 4
337bsu0112014 71% 0.503 PF03144 C4_S118 - (0)4 - / 8 / 2 2
338bsu3574014 100% 0.592 PF01467 C3_S128 - (20)4 - / 8 / 1 2
339bsu1578020 100% 0.554 PF03193 C3_S120 - (0)2 - / 8 / - 1
340bsu0349024 51% 0.520 PF00550 C1_S127 - (14)5 - / 8 / - 3
341bsu2971085 35% 0.543 PF00850 C2_S1145 - (0)20 - / 7 / 61 4
342bsu2349075 57% 0.580 PF01048 C3_S182 - (43)20 - / 7 / 53 20
343bsu2495046 38% 0.502 PF00005 C1_S146 - (0)13 - / 7 / 30 7
344bsu1137052 38% 0.448 PF00005 C1_S153 - (0)9 - / 7 / 26 6
345bsu1147045 37% 0.545 PF08402 C1_S140 - (0)12 - / 7 / 21 7
346bsu3881047 53% 0.495 PF08402 C2_S133 - (0)10 - / 7 / 20 5
347bsu0223020 56% 0.531 PF02222 C1_S154 - (39)11 - / 7 / 13 5
348bsu1547025 100% 0.609 PF00156 C2_S161 - (23)8 - / 7 / 9 2
349bsu0382025 35% 0.540 PF00005 C1_S119 - (0)7 - / 7 / 8 5
350bsu3095019 38% 0.452 PF00534 C2_S143 - (16)6 - / 7 / 5 1

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