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]
50bsu2954021 37% 0.458 PF01513 C1_S133 - (28)20 - / 3 / 22 15
51bsu2947035 58% 0.647 PF00871 C6_S157 - (51)20 2 / 15 / 12 12
52bsu1655072 44% 0.472 PF13288 C3_S1118 - (55)20 7 / 41 / 28 18
53bsu2428054 48% 0.542 PF00348 C1_S179 - (68)20 - / 1 / 39 7
54bsu0091089 63% 0.585 PF02542 C10_S193 - (67)20 - / - / 68 7
55bsu2376054 49% 0.564 PF00485 C3_S1132 - (37)20 5 / 33 / 6 17
56bsu3129068 54% 0.515 PF16657 C1_S1100 - (0)20 - / - / 51 9
57bsu0073076 84% 0.600 PF00291 C2_S183 - (53)20 - / 8 / 60 9
58bsu3023071 100% 0.552 PF00202 C1_S1136 - (79)20 - / - / 54 6
59bsu0077072 67% 0.658 PF00809 C3_S189 - (33)20 - / - / 61 26
60bsu0871052 51% 0.592 PF00202 C1_S192 - (38)20 - / - / 46 8
61bsu0239079 48% 0.576 PF01063 C6_S1222 - (150)20 - / 11 / 75 0
62bsu2181076 56% 0.668 PF00186 C4_S1117 - (73)20 42 / 19 / 13 11
63bsu1880082 72% 0.517 -C4_S1104 - (12)20 - / - / 52 23
64bsu0763094 99% 0.574 PF02898 C7_S1335 - (0)20 90 / - / 10 7
65bsu2434050 68% 0.595 PF02786 C1_S163 - (31)20 1 / 15 / 31 19
66bsu1653053 58% 0.608 PF01255 C4_S1111 - (32)20 6 / 25 / 24 15
67bsu23360105 75% 0.570 PF00160 C5_S1151 - (1)19 2 / 45 / 24 5
68bsu3750043 100% 0.775 PF00891 C1_S194 - (52)19 4 / 27 / 18 7
69bsu0009050 80% 0.573 PF00478 C2_S172 - (50)19 - / 18 / 26 7
70bsu2264085 61% 0.590 PF00291 C3_S184 - (75)19 7 / 13 / 44 10
71bsu2182058 98% 0.702 PF00303 C8_S175 - (41)18 - / 9 / 32 7
72bsu1768055 100% 0.716 PF00303 C8_S172 - (38)18 - / 9 / 30 7
73bsu1017040 45% 0.509 PF08541 C2_S152 - (31)18 - / 3 / 15 4
74bsu2564050 100% 0.636 PF01467 C1_S178 - (45)18 10 / 10 / 13 7
75bsu3778051 70% 0.554 PF00171 C4_S153 - (0)18 - / 17 / 15 6
76bsu2813038 51% 0.641 PF00490 C8_S139 - (22)18 - / 1 / 27 2
77bsu3637038 52% 0.593 PF07977 C2_S123 - (0)18 - / - / 13 0
78bsu2274038 41% 0.619 PF00348 C1_S151 - (32)17 - / - / 23 6
79bsu1110040 55% 0.470 PF02868 C9_S139 - (0)17 - / 1 / 7 5
80bsu2913043 100% 0.868 PF00180 C7_S156 - (52)17 - / 13 / 23 5
81bsu1133037 58% 0.542 PF08541 C2_S151 - (31)17 - / 6 / 13 3
82bsu0662032 69% 0.522 PF03119 C6_S134 - (20)17 - / 11 / 12 0
83bsu1470040 55% 0.470 PF02868 C8_S139 - (0)17 - / 1 / 7 5
84bsu2812049 99% 0.673 PF00202 C1_S1102 - (40)17 - / - / 48 7
85bsu1809039 73% 0.555 PF01751 C3_S136 - (0)17 4 / 13 / 11 13
86bsu0321049 90% 0.555 PF00171 C4_S153 - (0)17 - / 16 / 13 6
87bsu0046031 37% 0.507 PF00288 C1_S166 - (46)17 - / 6 / 13 6
88bsu3690065 80% 0.849 PF00464 C1_S1101 - (50)16 - / 1 / 60 4
89bsu3213041 88% 0.640 PF00478 C2_S146 - (28)16 - / 3 / 17 3
90bsu2726069 53% 0.627 PF00291 C2_S181 - (52)16 - / 4 / 50 6
91bsu2244053 37% 0.517 PF03099 C5_S170 - (22)16 17 / 13 / 17 8
92bsu0166025 100% 0.558 PF01915 C1_S134 - (15)16 - / - / 14 4
93bsu0050049 51% 0.534 PF12804 C1_S158 - (37)16 - / 22 / 18 9
94bsu0745043 48% 0.589 PF00107 C2_S172 - (51)16 25 / 2 / 9 3
95bsu2905091 100% 0.634 PF00248 C5_S1151 - (87)15 31 / 6 / 25 4
96bsu1595053 54% 0.586 PF02978 C8_S170 - (0)15 4 / 13 / 16 4
97bsu1734072 100% 0.514 PF01423 C5_S187 - (0)15 - / - / 48 4
98bsu2895032 72% 0.527 PF07973 C1_S127 - (9)15 1 / 6 / 15 7
99bsu0859020 44% 0.468 PF00561 C1_S158 - (7)15 - / 2 / 10 3
100bsu0269044 59% 0.593 PF00710 C8_S143 - (37)15 - / - / 19 4

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