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]
150bsu1188034 51% 0.605 PF01053 C1_S122 - (16)12 - / 1 / 16 5
151bsu2236023 46% 0.520 PF01336 C7_S122 - (16)10 - / 9 / 1 5
152bsu2743039 62% 0.613 PF08402 C1_S142 - (0)12 - / 21 / 7 5
153bsu0373045 37% 0.532 PF00005 C1_S131 - (0)10 - / 1 / 20 5
154bsu1830029 43% 0.536 PF00550 C1_S143 - (24)7 - / 13 / 1 5
155bsu3583020 52% 0.395 PF00083 C1_S124 - (0)6 - / - / 9 5
156bsu0883039 40% 0.668 PF08402 C1_S125 - (0)12 - / 1 / 17 5
157bsu0643031 61% 0.595 PF02222 C2_S149 - (36)9 - / 12 / 10 5
158bsu0651047 54% 0.595 PF00551 C2_S1144 - (20)14 - / 12 / 23 5
159bsu3526041 40% 0.554 PF08402 C1_S123 - (0)10 - / 14 / 7 5
160bsu3395018 100% 0.633 PF04198 C3_S136 - (15)8 - / - / 9 5
161bsu0594024 45% 0.592 PF00814 C2_S132 - (25)10 - / 14 / 4 5
162bsu3488024 44% 0.693 PF00977 C1_S129 - (0)9 2 / 5 / 4 5
163bsu3706044 70% 0.467 PF00265 C10_S142 - (41)11 13 / 16 / 3 5
164bsu1841048 100% 0.612 PF01019 C3_S143 - (24)7 - / - / 22 5
165bsu0351024 99% 0.552 PF00550 C1_S154 - (28)8 - / 13 / 2 5
166bsu1529053 100% 0.623 PF00091 C3_S156 - (0)10 1 / 30 / 13 5
167bsu1300050 36% 0.497 PF00005 C1_S144 - (0)9 - / 5 / 22 5
168bsu3076040 35% 0.578 PF00005 C1_S133 - (0)11 - / 1 / 21 5
169bsu3255046 52% 0.530 PF08402 C1_S142 - (0)12 - / 18 / 7 5
170bsu2266023 48% 0.470 PF00218 C1_S113 - (5)10 - / 5 / 4 5
171bsu1110040 55% 0.470 PF02868 C9_S139 - (0)17 - / 1 / 7 5
172bsu3155038 34% 0.383 PF00005 C5_S138 - (0)8 - / - / 20 5
173bsu2913043 100% 0.868 PF00180 C7_S156 - (52)17 - / 13 / 23 5
174bsu2327019 42% 0.441 PF00677 C2_S121 - (21)4 - / 4 / 4 4
175bsu2566057 45% 0.553 PF08501 C6_S168 - (63)12 5 / 15 / 26 4
176bsu1863019 100% 0.659 PF03330 C3_S120 - (0)8 - / 2 / 8 4
177bsu0166025 100% 0.558 PF01915 C1_S134 - (15)16 - / - / 14 4
178bsu0449025 42% 0.416 PF00005 C1_S128 - (0)8 - / 1 / 10 4
179bsu0456070 50% 0.572 PF01820 C1_S1109 - (82)15 2 / 35 / 21 4
180bsu1826035 50% 0.550 PF02771 C1_S137 - (37)8 4 / 12 / 7 4
181bsu3435017 36% 0.501 PF02719 C1_S157 - (55)8 12 / 2 / 2 4
182bsu2905091 100% 0.634 PF00248 C5_S1151 - (87)15 31 / 6 / 25 4
183bsu3850022 100% 0.559 PF13193 C2_S126 - (16)7 - / 8 / 2 4
184bsu3373035 43% 0.641 PF08402 C2_S135 - (0)9 - / 9 / 5 4
185bsu1187038 50% 0.586 PF01053 C1_S121 - (15)10 - / 2 / 15 4
186bsu0457019 39% 0.540 PF08245 C1_S146 - (22)10 1 / 6 / - 4
187bsu2573024 41% 0.464 PF03446 C1_S130 - (16)9 - / - / 13 4
188bsu2971085 35% 0.543 PF00850 C2_S1145 - (0)20 - / 7 / 61 4
189bsu1439023 52% 0.498 PF00294 C1_S143 - (32)9 - / 1 / 8 4
190bsu3291034 50% 0.747 PF00106 C1_S194 - (75)10 - / 17 / 14 4
191bsu0069036 72% 0.619 PF09336 C2_S121 - (21)5 - / 14 / 5 4
192bsu1011020 46% 0.391 PF00905 C1_S19 - (0)4 - / - / 4 4
193bsu2968022 35% 0.542 PF13193 C3_S147 - (9)8 - / 2 / 3 4
194bsu2260028 68% 0.574 PF00275 C7_S119 - (13)7 2 / 2 / 6 4
195bsu4034056 78% 0.554 PF00202 C1_S184 - (55)12 - / 8 / 30 4
196bsu3462035 56% 0.490 PF16657 C1_S135 - (0)9 - / 2 / 23 4
197bsu1017040 45% 0.509 PF08541 C2_S152 - (31)18 - / 3 / 15 4
198bsu1733024 58% 0.571 PF01715 C2_S135 - (15)8 - / - / 9 4
199bsu1784039 66% 0.636 PF00903 C1_S151 - (0)14 - / - / 27 4
200bsu4040018 100% 0.563 PF00512 C3_S140 - (25)8 3 / 9 / 1 4

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