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]
100bsu1818043 50% 0.478 PF00483 C1_S178 - (70)15 - / 14 / 22 5
101bsu0269044 59% 0.593 PF00710 C8_S143 - (37)15 - / - / 19 4
102bsu3756037 52% 0.521 PF07973 C2_S127 - (11)15 4 / 15 / 4 8
103bsu01370104 100% 0.604 PF05191 C3_S1153 - (137)15 76 / 27 / - 6
104bsu1734072 100% 0.514 PF01423 C5_S187 - (0)15 - / - / 48 4
105bsu3692030 55% 0.527 PF02502 C9_S150 - (37)15 - / - / 9 3
106bsu2905091 100% 0.634 PF00248 C5_S1151 - (87)15 31 / 6 / 25 4
107bsu2827051 77% 0.622 PF00180 C5_S155 - (46)15 - / 6 / 31 4
108bsu2997067 58% 0.555 PF00291 C3_S168 - (46)15 - / 5 / 48 6
109bsu3829020 100% 0.931 PF02581 C2_S153 - (40)15 - / 11 / 12 0
110bsu2431034 53% 0.646 PF02882 C4_S144 - (32)15 2 / 15 / 15 6
111bsu0859020 44% 0.468 PF00561 C1_S158 - (7)15 - / 2 / 10 3
112bsu0456070 50% 0.572 PF01820 C1_S1109 - (82)15 2 / 35 / 21 4
113bsu1784039 66% 0.636 PF00903 C1_S151 - (0)14 - / - / 27 4
114bsu1125047 60% 0.581 PF02729 C5_S165 - (46)14 - / 9 / 22 6
115bsu0929043 74% 0.531 PF00370 C3_S164 - (64)14 - / 3 / 24 4
116bsu1568038 69% 0.564 PF00625 C3_S146 - (34)14 3 / 15 / 10 5
117bsu2741028 50% 0.437 PF07973 C1_S127 - (21)14 3 / 6 / 8 6
118bsu2530039 100% 0.636 PF00383 C3_S135 - (23)14 - / - / 31 6
119bsu0743051 34% 0.613 PF00271 C4_S140 - (0)14 2 / 15 / 14 7
120bsu0458072 48% 0.633 PF00271 C2_S169 - (0)14 7 / 22 / 29 7
121bsu0725083 66% 0.549 PF00067 C3_S1157 - (29)14 82 / 1 / 11 5
122bsu2361027 55% 0.448 PF00293 C2_S1107 - (44)14 - / - / 18 4
123bsu3198025 99% 0.810 PF13193 C4_S162 - (18)14 3 / 9 / 3 7
124bsu0651047 54% 0.595 PF00551 C2_S1144 - (20)14 - / 12 / 23 5
125bsu0082035 79% 0.534 PF01336 C5_S142 - (28)14 - / 11 / 6 6
126bsu2733025 54% 0.532 PF00485 C1_S148 - (35)14 4 / 9 / 8 7
127bsu1560054 54% 0.715 PF14306 C1_S1101 - (89)14 2 / 41 / 6 6
128bsu1121040 44% 0.561 PF00696 C1_S179 - (66)13 - / 5 / 17 4
129bsu1091051 54% 0.633 PF14306 C2_S183 - (76)13 2 / 36 / 5 8
130bsu3252034 100% 0.589 PF00266 C1_S140 - (26)13 - / 1 / 11 2
131bsu3789032 44% 0.579 PF01041 C1_S167 - (0)13 - / 4 / 9 5
132bsu2289029 62% 0.687 PF02224 C2_S133 - (27)13 1 / 10 / 9 6
133bsu1591044 73% 0.563 PF00106 C1_S164 - (36)13 14 / 3 / 10 2
134bsu1467028 50% 0.529 PF00459 C6_S137 - (29)13 - / - / 10 3
135bsu0400049 52% 0.528 PF00180 C6_S152 - (42)13 - / 4 / 26 3
136bsu0236034 50% 0.635 PF01182 C5_S122 - (17)13 - / - / 17 6
137bsu2495046 38% 0.502 PF00005 C1_S146 - (0)13 - / 7 / 30 7
138bsu1225048 35% 0.468 PF08402 C1_S145 - (0)13 - / 24 / 10 6
139bsu3502031 100% 0.656 PF01182 C4_S121 - (16)13 - / - / 18 7
140bsu3455027 100% 0.673 PF13419 C1_S122 - (11)13 - / 5 / 12 8
141bsu0145061 53% 0.529 PF08402 C1_S146 - (0)13 - / 16 / 26 7
142bsu3911066 100% 0.551 PF00271 C1_S157 - (0)13 3 / 17 / 29 7
143bsu1311037 58% 0.546 PF02844 C7_S159 - (7)12 - / 23 / - 8
144bsu3423030 47% 0.571 PF01041 C1_S145 - (0)12 1 / 2 / 13 6
145bsu0967022 44% 0.560 PF01063 C8_S151 - (39)12 - / 8 / 14 5
146bsu3479043 71% 0.511 PF07992 C3_S1113 - (96)12 6 / 19 / 7 3
147bsu1577029 50% 0.489 PF00069 C1_S156 - (15)12 1 / 4 / 10 8
148bsu0883039 40% 0.668 PF08402 C1_S125 - (0)12 - / 1 / 17 5
149bsu2566057 45% 0.553 PF08501 C6_S168 - (63)12 5 / 15 / 26 4
150bsu3255046 52% 0.530 PF08402 C1_S142 - (0)12 - / 18 / 7 5

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