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]
100bsu3750043 100% 0.775 PF00891 C1_S194 - (52)19 4 / 27 / 18 7
101bsu3756037 52% 0.521 PF07973 C2_S127 - (11)15 4 / 15 / 4 8
102bsu1595053 54% 0.586 PF02978 C8_S170 - (0)15 4 / 13 / 16 4
103bsu1809039 73% 0.555 PF01751 C3_S136 - (0)17 4 / 13 / 11 13
104bsu1826035 50% 0.550 PF02771 C1_S137 - (37)8 4 / 12 / 7 4
105bsu2902041 74% 0.627 PF00044 C1_S137 - (19)3 4 / 11 / 2 2
106bsu2284025 100% 0.631 PF01926 C1_S133 - (0)4 4 / 11 / - 2
107bsu2733025 54% 0.532 PF00485 C1_S148 - (35)14 4 / 9 / 8 7
108bsu2279035 87% 0.548 PF00216 C7_S161 - (0)2 4 / 5 / 14 1
109bsu0661025 80% 0.456 PF13361 C3_S141 - (0)2 4 / 4 / 8 1
110bsu1142032 100% 0.575 PF00579 C4_S135 - (24)11 4 / 3 / 6 3
111bsu3517018 100% 0.517 PF00271 C5_S131 - (0)3 4 / 3 / 1 0
112bsu2307025 49% 0.503 PF02826 C1_S130 - (24)3 4 / 3 / - 2
113bsu1119020 43% 0.469 PF02774 C4_S128 - (14)3 4 / 2 / - 1
114bsu3705024 41% 0.661 PF03949 C2_S112 - (7)5 4 / 1 / 3 2
115bsu1396027 42% 0.570 PF03446 C1_S128 - (15)5 4 / 1 / 2 3
116bsu2283020 44% 0.643 PF01210 C1_S138 - (29)5 4 / 1 / 1 3
117bsu3284021 32% 0.508 PF02737 C2_S120 - (20)3 4 / 1 / - 2
118bsu3617019 100% 0.516 PF04493 C5_S118 - (0)2 4 / 1 / - 0
119bsu4000026 36% 0.600 PF00106 C2_S199 - (71)7 4 / - / 8 3
120bsu0419022 61% 0.553 PF00106 C1_S199 - (59)6 4 / - / 3 1
121bsu0945022 65% 0.559 PF00106 C1_S1104 - (67)7 4 / - / 2 1
122bsu1040020 67% 0.446 PF00106 C3_S136 - (25)4 4 / - / 2 1
123bsu3984022 41% 0.585 PF00106 C2_S176 - (50)3 4 / - / 1 1
124bsu2787015 38% 0.454 PF02910 C1_S150 - (45)5 4 / - / 1 2
125bsu1862020 42% 0.543 PF11794 C6_S114 - (9)2 4 / - / - 1
126bsu3816011 51% 0.397 PF00115 C1_S125 - (0)2 4 / - / - 0
127bsu1032019 99% 0.518 PF00107 C1_S123 - (15)2 4 / - / - 2
128bsu0865021 100% 0.616 PF00106 C1_S1154 - (79)3 4 / - / - 1
129bsu3911066 100% 0.551 PF00271 C1_S157 - (0)13 3 / 17 / 29 7
130bsu1568038 69% 0.564 PF00625 C3_S146 - (34)14 3 / 15 / 10 5
131bsu2416039 56% 0.612 PF02737 C2_S139 - (34)6 3 / 12 / 8 2
132bsu3198025 99% 0.810 PF13193 C4_S162 - (18)14 3 / 9 / 3 7
133bsu2799019 51% 0.565 PF01656 C2_S153 - (0)5 3 / 9 / 1 1
134bsu4040018 100% 0.563 PF00512 C3_S140 - (25)8 3 / 9 / 1 4
135bsu2163020 100% 0.557 PF02522 C2_S114 - (0)3 3 / 9 / 1 1
136bsu2261020 42% 0.509 PF01795 C3_S147 - (37)7 3 / 7 / 3 3
137bsu2741028 50% 0.437 PF07973 C1_S127 - (21)14 3 / 6 / 8 6
138bsu3193025 63% 0.600 PF05222 C3_S167 - (57)10 3 / 6 / 6 3
139bsu2214025 55% 0.605 PF00106 C1_S1120 - (69)9 3 / 5 / 1 3
140bsu1514016 52% 0.535 PF00107 C3_S114 - (9)1 3 / 3 / 2 0
141bsu2979018 36% 0.566 PF08245 C2_S133 - (16)5 3 / 3 / 1 3
142bsu1902022 51% 0.548 PF01593 C4_S179 - (78)3 3 / 3 / - 1
143bsu1025023 47% 0.584 PF03099 C2_S127 - (17)12 3 / 2 / 13 3
144bsu2378031 36% 0.555 PF00106 C1_S1113 - (74)7 3 / 2 / 10 2
145bsu1570020 59% 0.534 PF02441 C2_S126 - (11)6 3 / 1 / 8 3
146bsu0953030 98% 0.601 PF00248 C5_S143 - (28)7 3 / 1 / 6 2
147bsu0038022 67% 0.612 PF01588 C2_S121 - (0)3 3 / 1 / 1 3
148bsu3558020 48% 0.597 PF03721 C3_S123 - (13)2 3 / 1 / - 2
149bsu3934024 99% 0.650 PF09021 C6_S128 - (0)4 3 / - / 16 1
150bsu1490018 44% 0.431 PF00115 C4_S124 - (0)2 3 / - / - 0

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