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]
100bsu0859020 44% 0.468 PF00561 C1_S158 - (7)15 - / 2 / 10 3
101bsu3439029 97% 0.845 PF00135 C1_S1100 - (24)15 - / - / 11 0
102bsu2895032 72% 0.527 PF07973 C1_S127 - (9)15 1 / 6 / 15 7
103bsu01370104 100% 0.604 PF05191 C3_S1153 - (137)15 76 / 27 / - 6
104bsu1734072 100% 0.514 PF01423 C5_S187 - (0)15 - / - / 48 4
105bsu2716083 67% 0.579 PF00067 C3_S1157 - (31)15 82 / 2 / 10 5
106bsu2827051 77% 0.622 PF00180 C5_S155 - (46)15 - / 6 / 31 4
107bsu3829020 100% 0.931 PF02581 C2_S153 - (40)15 - / 11 / 12 0
108bsu1595053 54% 0.586 PF02978 C8_S170 - (0)15 4 / 13 / 16 4
109bsu2905091 100% 0.634 PF00248 C5_S1151 - (87)15 31 / 6 / 25 4
110bsu2997067 58% 0.555 PF00291 C3_S168 - (46)15 - / 5 / 48 6
111bsu2831022 47% 0.594 PF02776 C5_S182 - (38)15 12 / 4 / 10 4
112bsu0456070 50% 0.572 PF01820 C1_S1109 - (82)15 2 / 35 / 21 4
113bsu1568038 69% 0.564 PF00625 C3_S146 - (34)14 3 / 15 / 10 5
114bsu1125047 60% 0.581 PF02729 C5_S165 - (46)14 - / 9 / 22 6
115bsu2530039 100% 0.636 PF00383 C3_S135 - (23)14 - / - / 31 6
116bsu3198025 99% 0.810 PF13193 C4_S162 - (18)14 3 / 9 / 3 7
117bsu2741028 50% 0.437 PF07973 C1_S127 - (21)14 3 / 6 / 8 6
118bsu1784039 66% 0.636 PF00903 C1_S151 - (0)14 - / - / 27 4
119bsu2733025 54% 0.532 PF00485 C1_S148 - (35)14 4 / 9 / 8 7
120bsu0725083 66% 0.549 PF00067 C3_S1157 - (29)14 82 / 1 / 11 5
121bsu0651047 54% 0.595 PF00551 C2_S1144 - (20)14 - / 12 / 23 5
122bsu2361027 55% 0.448 PF00293 C2_S1107 - (44)14 - / - / 18 4
123bsu0743051 34% 0.613 PF00271 C4_S140 - (0)14 2 / 15 / 14 7
124bsu1560054 54% 0.715 PF14306 C1_S1101 - (89)14 2 / 41 / 6 6
125bsu0082035 79% 0.534 PF01336 C5_S142 - (28)14 - / 11 / 6 6
126bsu0929043 74% 0.531 PF00370 C3_S164 - (64)14 - / 3 / 24 4
127bsu0458072 48% 0.633 PF00271 C2_S169 - (0)14 7 / 22 / 29 7
128bsu3911066 100% 0.551 PF00271 C1_S157 - (0)13 3 / 17 / 29 7
129bsu1467028 50% 0.529 PF00459 C6_S137 - (29)13 - / - / 10 3
130bsu2289029 62% 0.687 PF02224 C2_S133 - (27)13 1 / 10 / 9 6
131bsu3252034 100% 0.589 PF00266 C1_S140 - (26)13 - / 1 / 11 2
132bsu1591044 73% 0.563 PF00106 C1_S164 - (36)13 14 / 3 / 10 2
133bsu1121040 44% 0.561 PF00696 C1_S179 - (66)13 - / 5 / 17 4
134bsu1225048 35% 0.468 PF08402 C1_S145 - (0)13 - / 24 / 10 6
135bsu0236034 50% 0.635 PF01182 C5_S122 - (17)13 - / - / 17 6
136bsu3789032 44% 0.579 PF01041 C1_S167 - (0)13 - / 4 / 9 5
137bsu0145061 53% 0.529 PF08402 C1_S146 - (0)13 - / 16 / 26 7
138bsu1091051 54% 0.633 PF14306 C2_S183 - (76)13 2 / 36 / 5 8
139bsu0400049 52% 0.528 PF00180 C6_S152 - (42)13 - / 4 / 26 3
140bsu3455027 100% 0.673 PF13419 C1_S122 - (11)13 - / 5 / 12 8
141bsu2495046 38% 0.502 PF00005 C1_S146 - (0)13 - / 7 / 30 7
142bsu3502031 100% 0.656 PF01182 C4_S121 - (16)13 - / - / 18 7
143bsu3255046 52% 0.530 PF08402 C1_S142 - (0)12 - / 18 / 7 5
144bsu0078040 63% 0.593 PF02152 C5_S137 - (25)12 - / - / 22 8
145bsu1025023 47% 0.584 PF03099 C2_S127 - (17)12 3 / 2 / 13 3
146bsu3042053 44% 0.655 PF00005 C1_S139 - (0)12 - / 9 / 27 5
147bsu1312020 49% 0.518 PF14850 C1_S134 - (26)12 6 / - / 8 5
148bsu0588020 77% 0.551 PF02156 C1_S146 - (22)12 - / - / 5 2
149bsu1188034 51% 0.605 PF01053 C1_S122 - (16)12 - / 1 / 16 5
150bsu4034056 78% 0.554 PF00202 C1_S184 - (55)12 - / 8 / 30 4

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