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]
100bsu3829020 100% 0.931 PF02581 C2_S153 - (40)15 - / 11 / 12 0
101bsu0859020 44% 0.468 PF00561 C1_S158 - (7)15 - / 2 / 10 3
102bsu1595053 54% 0.586 PF02978 C8_S170 - (0)15 4 / 13 / 16 4
103bsu2716083 67% 0.579 PF00067 C3_S1157 - (31)15 82 / 2 / 10 5
104bsu1818043 50% 0.478 PF00483 C1_S178 - (70)15 - / 14 / 22 5
105bsu3756037 52% 0.521 PF07973 C2_S127 - (11)15 4 / 15 / 4 8
106bsu3692030 55% 0.527 PF02502 C9_S150 - (37)15 - / - / 9 3
107bsu0269044 59% 0.593 PF00710 C8_S143 - (37)15 - / - / 19 4
108bsu2895032 72% 0.527 PF07973 C1_S127 - (9)15 1 / 6 / 15 7
109bsu1734072 100% 0.514 PF01423 C5_S187 - (0)15 - / - / 48 4
110bsu0456070 50% 0.572 PF01820 C1_S1109 - (82)15 2 / 35 / 21 4
111bsu2997067 58% 0.555 PF00291 C3_S168 - (46)15 - / 5 / 48 6
112bsu2831022 47% 0.594 PF02776 C5_S182 - (38)15 12 / 4 / 10 4
113bsu2733025 54% 0.532 PF00485 C1_S148 - (35)14 4 / 9 / 8 7
114bsu0651047 54% 0.595 PF00551 C2_S1144 - (20)14 - / 12 / 23 5
115bsu0458072 48% 0.633 PF00271 C2_S169 - (0)14 7 / 22 / 29 7
116bsu0725083 66% 0.549 PF00067 C3_S1157 - (29)14 82 / 1 / 11 5
117bsu1784039 66% 0.636 PF00903 C1_S151 - (0)14 - / - / 27 4
118bsu0929043 74% 0.531 PF00370 C3_S164 - (64)14 - / 3 / 24 4
119bsu1125047 60% 0.581 PF02729 C5_S165 - (46)14 - / 9 / 22 6
120bsu2530039 100% 0.636 PF00383 C3_S135 - (23)14 - / - / 31 6
121bsu1568038 69% 0.564 PF00625 C3_S146 - (34)14 3 / 15 / 10 5
122bsu2361027 55% 0.448 PF00293 C2_S1107 - (44)14 - / - / 18 4
123bsu1560054 54% 0.715 PF14306 C1_S1101 - (89)14 2 / 41 / 6 6
124bsu3198025 99% 0.810 PF13193 C4_S162 - (18)14 3 / 9 / 3 7
125bsu0743051 34% 0.613 PF00271 C4_S140 - (0)14 2 / 15 / 14 7
126bsu2741028 50% 0.437 PF07973 C1_S127 - (21)14 3 / 6 / 8 6
127bsu0082035 79% 0.534 PF01336 C5_S142 - (28)14 - / 11 / 6 6
128bsu1467028 50% 0.529 PF00459 C6_S137 - (29)13 - / - / 10 3
129bsu1121040 44% 0.561 PF00696 C1_S179 - (66)13 - / 5 / 17 4
130bsu3911066 100% 0.551 PF00271 C1_S157 - (0)13 3 / 17 / 29 7
131bsu3252034 100% 0.589 PF00266 C1_S140 - (26)13 - / 1 / 11 2
132bsu3789032 44% 0.579 PF01041 C1_S167 - (0)13 - / 4 / 9 5
133bsu2495046 38% 0.502 PF00005 C1_S146 - (0)13 - / 7 / 30 7
134bsu0236034 50% 0.635 PF01182 C5_S122 - (17)13 - / - / 17 6
135bsu2289029 62% 0.687 PF02224 C2_S133 - (27)13 1 / 10 / 9 6
136bsu3502031 100% 0.656 PF01182 C4_S121 - (16)13 - / - / 18 7
137bsu3455027 100% 0.673 PF13419 C1_S122 - (11)13 - / 5 / 12 8
138bsu1591044 73% 0.563 PF00106 C1_S164 - (36)13 14 / 3 / 10 2
139bsu0400049 52% 0.528 PF00180 C6_S152 - (42)13 - / 4 / 26 3
140bsu1091051 54% 0.633 PF14306 C2_S183 - (76)13 2 / 36 / 5 8
141bsu1225048 35% 0.468 PF08402 C1_S145 - (0)13 - / 24 / 10 6
142bsu0145061 53% 0.529 PF08402 C1_S146 - (0)13 - / 16 / 26 7
143bsu2934033 54% 0.650 PF08402 C1_S126 - (0)12 - / 15 / 7 5
144bsu3423030 47% 0.571 PF01041 C1_S145 - (0)12 1 / 2 / 13 6
145bsu1147045 37% 0.545 PF08402 C1_S140 - (0)12 - / 7 / 21 7
146bsu0078040 63% 0.593 PF02152 C5_S137 - (25)12 - / - / 22 8
147bsu4034056 78% 0.554 PF00202 C1_S184 - (55)12 - / 8 / 30 4
148bsu2566057 45% 0.553 PF08501 C6_S168 - (63)12 5 / 15 / 26 4
149bsu0283036 55% 0.557 PF00106 C1_S1110 - (73)12 19 / 11 / 3 4
150bsu0883039 40% 0.668 PF08402 C1_S125 - (0)12 - / 1 / 17 5

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