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]
50bsu1523019 79% 0.621 PF02873 C3_S156 - (39)3 9 / - / 1 1
51bsu2007016 47% 0.545 PF00258 C3_S129 - (27)2 9 / - / - 1
52bsu3394045 84% 0.741 PF00044 C2_S133 - (26)4 8 / 16 / - 2
53bsu2415038 55% 0.547 PF02771 C2_S134 - (34)6 8 / 15 / - 4
54bsu1705019 47% 0.481 PF08676 C3_S124 - (0)5 8 / 1 / 4 0
55bsu1010017 96% 0.641 PF03992 C2_S141 - (0)2 8 / 1 / - 1
56bsu1655072 44% 0.472 PF13288 C3_S1118 - (55)20 7 / 41 / 28 18
57bsu2547062 88% 0.592 PF00012 C2_S165 - (0)20 7 / 28 / 10 9
58bsu3773047 43% 0.501 PF00106 C1_S1118 - (92)7 7 / 23 / 1 3
59bsu0458072 48% 0.633 PF00271 C2_S169 - (0)14 7 / 22 / 29 7
60bsu2270039 40% 0.518 PF01202 C3_S154 - (49)6 7 / 14 / 10 2
61bsu2264085 61% 0.590 PF00291 C3_S184 - (75)19 7 / 13 / 44 10
62bsu3717037 57% 0.452 PF02771 C1_S135 - (35)7 7 / 11 / 5 3
63bsu2701024 54% 0.583 PF00107 C1_S137 - (23)9 7 / 5 / 1 2
64bsu3782023 48% 0.584 PF04321 C1_S160 - (56)4 7 / 1 / - 3
65bsu3298028 35% 0.494 PF00106 C1_S1123 - (96)4 7 / - / 2 1
66bsu3863027 69% 0.471 PF06628 C8_S112 - (1)2 7 / - / - 1
67bsu4010020 65% 0.647 PF07992 C2_S122 - (17)2 7 / - / - 1
68bsu3936017 100% 0.693 PF01175 C4_S116 - (16)2 7 / - / - 1
69bsu0327020 49% 0.568 PF07992 C1_S163 - (49)2 7 / - / - 1
70bsu1653053 58% 0.608 PF01255 C4_S1111 - (32)20 6 / 25 / 24 15
71bsu3479043 71% 0.511 PF07992 C3_S1113 - (96)12 6 / 19 / 7 3
72bsu3468026 48% 0.588 PF02826 C1_S161 - (37)9 6 / 3 / 5 3
73bsu1012023 99% 0.585 PF01208 C2_S114 - (9)6 6 / 2 / - 2
74bsu4025025 67% 0.618 PF00107 C1_S176 - (48)4 6 / 1 / 4 1
75bsu1312020 49% 0.518 PF14850 C1_S134 - (26)12 6 / - / 8 5
76bsu3006014 70% 0.544 PF00890 C2_S126 - (19)2 6 / - / - 1
77bsu1038016 100% 0.774 PF00015 C5_S119 - (0)2 6 / - / - 1
78bsu3506020 99% 0.541 PF00067 C2_S178 - (0)4 6 / - / - 1
79bsu2376054 49% 0.564 PF00485 C3_S1132 - (37)20 5 / 33 / 6 17
80bsu2566057 45% 0.553 PF08501 C6_S168 - (63)12 5 / 15 / 26 4
81bsu2815017 70% 0.645 PF03900 C4_S125 - (1)4 5 / 11 / - 2
82bsu2105034 71% 0.683 PF00216 C9_S161 - (0)2 5 / 6 / 11 1
83bsu1678020 49% 0.577 PF07521 C2_S125 - (0)5 5 / 5 / 5 3
84bsu1453020 100% 0.594 PF07521 C1_S129 - (0)6 5 / 4 / 6 3
85bsu3826020 44% 0.399 PF04261 C6_S127 - (0)5 5 / 4 / - 2
86bsu2829025 69% 0.479 PF07991 C4_S137 - (0)10 5 / 3 / 9 0
87bsu0081020 37% 0.619 PF01207 C1_S182 - (44)2 5 / 3 / - 1
88bsu1167020 99% 0.893 PF01266 C2_S147 - (36)2 5 / 2 / - 1
89bsu3285014 41% 0.545 PF01261 C2_S115 - (0)4 5 / 2 / - 2
90bsu0320014 42% 0.542 PF01261 C2_S117 - (0)4 5 / 2 / - 2
91bsu2855017 100% 0.645 PF00440 C1_S145 - (0)4 5 / 1 / 3 2
92bsu3343021 52% 0.531 PF03460 C3_S143 - (17)4 5 / 1 / 2 1
93bsu1043020 66% 0.546 PF00106 C1_S194 - (56)6 5 / - / 2 1
94bsu1156020 100% 0.640 PF01152 C5_S188 - (0)3 5 / - / 1 0
95bsu3566019 100% 0.543 PF00534 C2_S130 - (19)4 5 / - / 1 1
96bsu1100020 59% 0.619 PF00583 C1_S124 - (12)4 5 / - / 1 2
97bsu1014020 100% 0.604 PF01593 C1_S147 - (27)2 5 / - / - 1
98bsu3211020 100% 0.587 PF07992 C2_S158 - (45)2 5 / - / - 1
99bsu1553017 46% 0.513 PF00175 C2_S134 - (24)2 5 / - / - 1
100bsu3750043 100% 0.775 PF00891 C1_S194 - (52)19 4 / 27 / 18 7

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