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]
150bsu0883039 40% 0.668 PF08402 C1_S125 - (0)12 - / 1 / 17 5
151bsu3042053 44% 0.655 PF00005 C1_S139 - (0)12 - / 9 / 27 5
152bsu0359038 59% 0.553 PF08402 C1_S131 - (0)10 - / 16 / 14 5
153bsu1568038 69% 0.564 PF00625 C3_S146 - (34)14 3 / 15 / 10 5
154bsu1830029 43% 0.536 PF00550 C1_S143 - (24)7 - / 13 / 1 5
155bsu1529053 100% 0.623 PF00091 C3_S156 - (0)10 1 / 30 / 13 5
156bsu3583020 52% 0.395 PF00083 C1_S124 - (0)6 - / - / 9 5
157bsu2913043 100% 0.868 PF00180 C7_S156 - (52)17 - / 13 / 23 5
158bsu1188034 51% 0.605 PF01053 C1_S122 - (16)12 - / 1 / 16 5
159bsu1110040 55% 0.470 PF02868 C9_S139 - (0)17 - / 1 / 7 5
160bsu0223020 56% 0.531 PF02222 C1_S154 - (39)11 - / 7 / 13 5
161bsu1694036 69% 0.607 PF00154 C1_S142 - (0)11 - / 17 / 8 5
162bsu1841048 100% 0.612 PF01019 C3_S143 - (24)7 - / - / 22 5
163bsu2934033 54% 0.650 PF08402 C1_S126 - (0)12 - / 15 / 7 5
164bsu1300050 36% 0.497 PF00005 C1_S144 - (0)9 - / 5 / 22 5
165bsu0178030 71% 0.566 PF01380 C2_S118 - (15)10 - / - / 11 5
166bsu1818043 50% 0.478 PF00483 C1_S178 - (70)15 - / 14 / 22 5
167bsu3488024 44% 0.693 PF00977 C1_S129 - (0)9 2 / 5 / 4 5
168bsu3061053 39% 0.566 PF08402 C1_S142 - (0)10 - / 6 / 27 5
169bsu1312020 49% 0.518 PF14850 C1_S134 - (26)12 6 / - / 8 5
170bsu2743039 62% 0.613 PF08402 C1_S142 - (0)12 - / 21 / 7 5
171bsu0651047 54% 0.595 PF00551 C2_S1144 - (20)14 - / 12 / 23 5
172bsu3255046 52% 0.530 PF08402 C1_S142 - (0)12 - / 18 / 7 5
173bsu0351024 99% 0.552 PF00550 C1_S154 - (28)8 - / 13 / 2 5
174bsu0972023 47% 0.473 PF00005 C1_S126 - (0)9 - / 8 / 4 4
175bsu1733024 58% 0.571 PF01715 C2_S135 - (15)8 - / - / 9 4
176bsu0788030 100% 0.684 PF01451 C6_S129 - (2)9 - / - / 14 4
177bsu3986025 39% 0.533 PF00171 C3_S118 - (7)8 - / 1 / 6 4
178bsu1011020 46% 0.391 PF00905 C1_S19 - (0)4 - / - / 4 4
179bsu0449025 42% 0.416 PF00005 C1_S128 - (0)8 - / 1 / 10 4
180bsu3135020 81% 0.563 PF00342 C2_S110 - (8)5 - / - / 5 4
181bsu1595053 54% 0.586 PF02978 C8_S170 - (0)15 4 / 13 / 16 4
182bsu2968022 35% 0.542 PF13193 C3_S147 - (9)8 - / 2 / 3 4
183bsu3462035 56% 0.490 PF16657 C1_S135 - (0)9 - / 2 / 23 4
184bsu0269044 59% 0.593 PF00710 C8_S143 - (37)15 - / - / 19 4
185bsu1784039 66% 0.636 PF00903 C1_S151 - (0)14 - / - / 27 4
186bsu2327019 42% 0.441 PF00677 C2_S121 - (21)4 - / 4 / 4 4
187bsu1187038 50% 0.586 PF01053 C1_S121 - (15)10 - / 2 / 15 4
188bsu2386029 83% 0.558 PF03446 C2_S127 - (14)10 - / 3 / 9 4
189bsu0457019 39% 0.540 PF08245 C1_S146 - (22)10 1 / 6 / - 4
190bsu3897029 43% 0.636 PF00106 C1_S186 - (60)6 - / - / 9 4
191bsu3409025 34% 0.447 PF00005 C1_S130 - (0)9 - / 3 / 6 4
192bsu1088020 33% 0.542 PF00155 C2_S147 - (25)8 1 / 4 / 7 4
193bsu2975056 76% 0.544 PF00793 C2_S174 - (74)8 - / - / 38 4
194bsu3712021 79% 0.598 PF01116 C1_S118 - (11)7 - / - / 14 4
195bsu0456070 50% 0.572 PF01820 C1_S1109 - (82)15 2 / 35 / 21 4
196bsu3690065 80% 0.849 PF00464 C1_S1101 - (50)16 - / 1 / 60 4
197bsu1121040 44% 0.561 PF00696 C1_S179 - (66)13 - / 5 / 17 4
198bsu2831022 47% 0.594 PF02776 C5_S182 - (38)15 12 / 4 / 10 4
199bsu3886049 65% 0.611 PF16363 C1_S1139 - (120)10 43 / 10 / - 4
200bsu1136036 37% 0.497 PF00005 C1_S137 - (0)9 - / 2 / 6 4

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