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]
150bsu0341066 42% 0.503 PF00232 C3_S174 - (58)20 - / 1 / 40 22
151bsu2975056 76% 0.544 PF00793 C2_S174 - (74)8 - / - / 38 4
152bsu0848010 38% 0.583 PF00881 C2_S174 - (42)1 - / - / 2 0
153bsu3652049 100% 0.536 PF00543 C4_S173 - (0)7 - / 16 / 20 3
154bsu1884061 100% 0.890 PF00722 C8_S173 - (0)20 1 / 2 / 36 9
155bsu1304030 56% 0.582 PF00175 C1_S173 - (29)10 16 / 3 / 4 2
156bsu1461054 78% 0.581 PF02852 C2_S173 - (68)2 44 / 4 / - 1
157bsu0607019 28% 0.412 PF00145 C3_S172 - (24)6 - / - / 6 0
158bsu3811019 100% 0.499 PF00881 C3_S172 - (42)2 - / 9 / - 1
159bsu1768055 100% 0.716 PF00303 C8_S172 - (38)18 - / 9 / 30 7
160bsu1850021 39% 0.567 PF00106 C1_S172 - (38)3 - / - / 1 0
161bsu0745043 48% 0.589 PF00107 C2_S172 - (51)16 25 / 2 / 9 3
162bsu0009050 80% 0.573 PF00478 C2_S172 - (50)19 - / 18 / 26 7
163bsu0713019 97% 0.559 PF00056 C2_S171 - (61)1 - / - / 1 0
164bsu0723018 30% 0.499 PF01494 C1_S171 - (36)1 1 / - / - 1
165bsu3727020 60% 0.424 PF14711 71 - (0)? - / - / - 0
166bsu2956017 37% 0.541 PF13193 C4_S170 - (15)11 - / 2 / 5 3
167bsu266000 35% 0.482 PF00583 70 - (51)? - / - / - 0
168bsu1955018 44% 0.545 PF00881 C2_S170 - (49)2 - / - / 8 0
169bsu1235020 47% 0.549 PF00106 C1_S170 - (46)2 - / 1 / - 1
170bsu2244053 37% 0.517 PF03099 C5_S170 - (22)16 17 / 13 / 17 8
171bsu1595053 54% 0.586 PF02978 C8_S170 - (0)15 4 / 13 / 16 4
172bsu4085027 70% 0.635 PF00132 C1_S169 - (35)4 - / - / 12 1
173bsu3592030 42% 0.578 PF00294 C1_S169 - (56)8 - / 1 / 28 3
174bsu0108039 53% 0.421 PF04998 69 - (0)0 - / - / - 0
175bsu0458072 48% 0.633 PF00271 C2_S169 - (0)14 7 / 22 / 29 7
176bsu1675036 58% 0.592 PF02774 C2_S169 - (35)20 12 / 12 / 14 9
177bsu0947024 44% 0.475 PF02028 C10_S169 - (0)6 - / - / 7 1
178bsu2566057 45% 0.553 PF08501 C6_S168 - (63)12 5 / 15 / 26 4
179bsu0606018 38% 0.354 PF00145 C1_S168 - (25)2 - / 1 / 1 1
180bsu3167026 53% 0.566 PF03061 C1_S168 - (0)3 - / - / 1 0
181bsu2997067 58% 0.555 PF00291 C3_S168 - (46)15 - / 5 / 48 6
182bsu2150016 29% 0.478 PF11798 68 - (63)? - / - / - 0
183bsu1172032 100% 0.614 PF00106 C5_S168 - (36)8 17 / 8 / 1 3
184bsu1554023 68% 0.542 PF01180 C1_S168 - (39)8 - / 3 / 8 3
185bsu1117020 29% 0.354 PF01565 67 - (37)? - / - / - 0
186bsu3789032 44% 0.579 PF01041 C1_S167 - (0)13 - / 4 / 9 5
187bsu3670016 50% 0.502 PF04055 C2_S167 - (9)6 - / 2 / 10 2
188bsu1641020 100% 0.560 PF01656 C1_S167 - (65)4 - / 5 / 2 2
189bsu3193025 63% 0.600 PF05222 C3_S167 - (57)10 3 / 6 / 6 3
190bsu0014014 34% 0.546 PF01712 C1_S167 - (53)5 - / 8 / 2 3
191bsu3220019 28% 0.508 PF07992 67 - (39)? - / - / - 0
192bsu3567022 53% 0.488 PF00483 C1_S166 - (52)10 - / 11 / 5 3
193bsu3215010 100% 0.546 PF00583 C2_S166 - (43)1 - / - / 2 1
194bsu0313033 100% 0.789 PF02540 C5_S166 - (59)12 - / 14 / 16 5
195bsu1120020 61% 0.449 PF01960 66 - (0)? - / - / - 0
196bsu2697020 36% 0.480 PF00107 66 - (42)? - / - / - 0
197bsu0548014 99% 0.622 PF00881 C2_S166 - (38)2 - / - / 3 1
198bsu170700 35% 0.160 PF00998 66 - (0)? - / - / - 0
199bsu0046031 37% 0.507 PF00288 C1_S166 - (46)17 - / 6 / 13 6
200bsu246106 100% 0.711 PF01381 C2_S165 - (0)3 - / - / 2 0

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