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]
100bsu0821052 54% 0.468 PF00005 C1_S177 - (0)8 - / 19 / 21 5
101bsu0305051 100% 0.625 PF00056 C5_S161 - (53)6 14 / 16 / 2 2
102bsu1122051 45% 0.565 PF00202 C1_S155 - (34)10 - / 4 / 21 3
103bsu2827051 77% 0.622 PF00180 C5_S155 - (46)15 - / 6 / 31 4
104bsu1824051 53% 0.589 PF02786 C1_S161 - (30)20 1 / 15 / 31 19
105bsu2308051 55% 0.652 PF01487 C4_S157 - (40)20 - / - / 40 9
106bsu1091051 54% 0.633 PF14306 C2_S183 - (76)13 2 / 36 / 5 8
107bsu0743051 34% 0.613 PF00271 C4_S140 - (0)14 2 / 15 / 14 7
108bsu3778051 70% 0.554 PF00171 C4_S153 - (0)18 - / 17 / 15 6
109bsu1300050 36% 0.497 PF00005 C1_S144 - (0)9 - / 5 / 22 5
110bsu0009050 80% 0.573 PF00478 C2_S172 - (50)19 - / 18 / 26 7
111bsu2564050 100% 0.636 PF01467 C1_S178 - (45)18 10 / 10 / 13 7
112bsu2434050 68% 0.595 PF02786 C1_S163 - (31)20 1 / 15 / 31 19
113bsu3390049 100% 0.592 PF03952 C1_S130 - (26)10 - / 1 / 24 7
114bsu3886049 65% 0.611 PF16363 C1_S1139 - (120)10 43 / 10 / - 4
115bsu0321049 90% 0.555 PF00171 C4_S153 - (0)17 - / 16 / 13 6
116bsu3652049 100% 0.536 PF00543 C4_S173 - (0)7 - / 16 / 20 3
117bsu2812049 99% 0.673 PF00202 C1_S1102 - (40)17 - / - / 48 7
118bsu0400049 52% 0.528 PF00180 C6_S152 - (42)13 - / 4 / 26 3
119bsu0050049 51% 0.534 PF12804 C1_S158 - (37)16 - / 22 / 18 9
120bsu1841048 100% 0.612 PF01019 C3_S143 - (24)7 - / - / 22 5
121bsu2850048 100% 0.699 PF00085 C1_S155 - (0)5 - / - / 8 0
122bsu1225048 35% 0.468 PF08402 C1_S145 - (0)13 - / 24 / 10 6
123bsu2681048 36% 0.578 PF01177 C5_S153 - (37)8 - / 1 / 33 3
124bsu0146048 54% 0.582 PF00005 C1_S145 - (0)11 - / 1 / 33 5
125bsu0007048 100% 0.542 PF00521 C8_S193 - (0)7 - / 1 / 35 0
126bsu3773047 43% 0.501 PF00106 C1_S1118 - (92)7 7 / 23 / 1 3
127bsu0651047 54% 0.595 PF00551 C2_S1144 - (20)14 - / 12 / 23 5
128bsu3881047 53% 0.495 PF08402 C2_S133 - (0)10 - / 7 / 20 5
129bsu1125047 60% 0.581 PF02729 C5_S165 - (46)14 - / 9 / 22 6
130bsu4042047 79% 0.592 PF00709 C5_S191 - (67)20 - / 31 / 19 8
131bsu3689046 84% 0.544 PF14681 C6_S149 - (38)12 - / 10 / 21 5
132bsu3255046 52% 0.530 PF08402 C1_S142 - (0)12 - / 18 / 7 5
133bsu2495046 38% 0.502 PF00005 C1_S146 - (0)13 - / 7 / 30 7
134bsu1147045 37% 0.545 PF08402 C1_S140 - (0)12 - / 7 / 21 7
135bsu3599045 44% 0.673 PF02525 C1_S1153 - (70)20 - / 6 / 8 1
136bsu1146045 39% 0.558 PF00005 C1_S146 - (0)10 - / 1 / 26 6
137bsu2786045 45% 0.548 PF02749 C7_S133 - (22)10 - / - / 17 3
138bsu2406045 44% 0.565 PF02852 C3_S151 - (47)4 31 / - / 1 2
139bsu1134045 100% 0.544 PF02801 C3_S153 - (5)20 - / 5 / 18 9
140bsu0373045 37% 0.532 PF00005 C1_S131 - (0)10 - / 1 / 20 5
141bsu3394045 84% 0.741 PF00044 C2_S133 - (26)4 8 / 16 / - 2
142bsu3706044 70% 0.467 PF00265 C10_S142 - (41)11 13 / 16 / 3 5
143bsu1591044 73% 0.563 PF00106 C1_S164 - (36)13 14 / 3 / 10 2
144bsu0269044 59% 0.593 PF00710 C8_S143 - (37)15 - / - / 19 4
145bsu2520044 75% 0.697 PF04545 C1_S142 - (0)1 17 / - / 4 0
146bsu1818043 50% 0.478 PF00483 C1_S178 - (70)15 - / 14 / 22 5
147bsu3750043 100% 0.775 PF00891 C1_S194 - (52)19 4 / 27 / 18 7
148bsu2913043 100% 0.868 PF00180 C7_S156 - (52)17 - / 13 / 23 5
149bsu0929043 74% 0.531 PF00370 C3_S164 - (64)14 - / 3 / 24 4
150bsu3479043 71% 0.511 PF07992 C3_S1113 - (96)12 6 / 19 / 7 3

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