Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000823 (STRA3: Streptococcus agalactiae serotype III - Nov 2015)

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]
50gbs145527 75% 0.674 PF02224 C3_S132 - (29)11 1 / 10 / 8 6
51gbs107970 50% 0.622 PF02729 C9_S171 - (45)20 - / 23 / 21 6
52gbs140742 55% 0.463 PF00005 C1_S157 - (57)11 - / 21 / 2 6
53gbs102333 39% 0.533 PF00005 C1_S132 - (0)12 - / 8 / 16 6
54gbs004423 50% 0.545 PF02222 C2_S152 - (37)8 - / 7 / 11 5
55gbs170643 47% 0.624 PF01467 C4_S168 - (39)18 12 / 7 / 12 5
56gbs012036 40% 0.571 PF00005 C1_S121 - (0)10 - / 2 / 18 5
57gbs000725 78% 0.573 PF01195 C2_S123 - (0)13 - / 1 / 8 5
58gbs212439 73% 0.710 PF02729 C8_S150 - (42)11 - / 5 / 20 5
59gbs093328 57% 0.573 PF01380 C1_S114 - (13)10 - / - / 11 5
60gbs077129 62% 0.503 PF01336 C6_S138 - (25)12 - / 6 / 6 5
61gbs102426 37% 0.540 PF00005 C1_S131 - (0)10 - / 6 / 10 5
62gbs174227 36% 0.371 PF00005 C2_S120 - (0)10 - / 1 / 16 5
63gbs183934 42% 0.431 PF00005 C2_S125 - (0)10 - / - / 19 5
64gbs057226 43% 0.477 PF01336 C7_S173 - (49)10 - / 13 / - 5
65gbs050846 47% 0.452 PF00005 C1_S157 - (55)8 - / 23 / 8 5
66gbs078445 54% 0.561 PF00300 C1_S149 - (41)15 - / - / 28 5
67gbs082923 48% 0.430 PF07973 C2_S122 - (20)7 1 / 4 / 4 5
68gbs204739 63% 0.547 PF00154 C3_S139 - (0)11 - / 17 / 7 5
69gbs028633 63% 0.539 PF02540 C6_S156 - (50)11 1 / 11 / 13 5
70gbs142424 50% 0.574 PF01746 C5_S130 - (19)12 - / 16 / 6 5
71gbs013130 55% 0.605 PF08402 C1_S144 - (0)9 - / 12 / 7 5
72gbs174141 42% 0.384 PF00005 C2_S151 - (49)7 - / 21 / 1 5
73gbs181018 46% 0.519 PF03767 C2_S119 - (1)8 - / - / 7 5
74gbs050136 43% 0.495 PF01467 C1_S1112 - (90)10 - / 12 / 9 5
75gbs208539 65% 0.624 PF02729 C8_S146 - (36)12 - / 8 / 18 5
76gbs007993 84% 0.676 PF05191 C3_S1143 - (132)10 60 / 26 / 2 5
77gbs066334 37% 0.527 PF08402 C1_S152 - (49)10 - / - / 15 5
78gbs012524 45% 0.699 PF01116 C1_S127 - (21)9 - / - / 18 5
79gbs117023 52% 0.542 PF00232 C2_S190 - (70)13 - / 1 / 9 5
80gbs117838 49% 0.482 PF00005 C2_S133 - (0)11 - / - / 17 5
81gbs191234 50% 0.519 PF08402 C1_S129 - (0)9 - / 1 / 13 4
82gbs184020 44% 0.529 PF00456 C3_S115 - (10)7 - / 8 / 3 4
83gbs074218 56% 0.508 PF09239 C1_S140 - (33)7 4 / 9 / - 4
84gbs061525 45% 0.609 PF03767 C5_S130 - (1)11 - / - / 19 4
85gbs084132 67% 0.533 PF00171 C4_S120 - (0)8 2 / 10 / 1 4
86gbs011725 34% 0.458 PF00294 C1_S159 - (47)7 - / 4 / 20 4
87gbs033121 58% 0.518 PF08541 C1_S122 - (10)7 - / 9 / 3 4
88gbs174029 43% 0.378 PF00005 C1_S175 - (75)7 - / 7 / 4 4
89gbs078817 69% 0.539 PF08245 C1_S142 - (19)5 2 / 2 / - 4
90gbs015430 60% 0.574 PF00579 C3_S151 - (40)7 - / 9 / 7 4
91gbs211839 69% 0.539 PF00478 C3_S164 - (45)15 - / 10 / 19 4
92gbs191925 61% 0.480 PF04650 C5_S175 - (37)10 - / - / 19 4
93gbs144926 69% 0.592 PF01487 C4_S130 - (13)15 - / - / 15 4
94gbs005022 40% 0.530 PF01451 C9_S117 - (2)7 - / - / 9 4
95gbs180020 44% 0.569 PF00814 C2_S133 - (33)7 - / 8 / 2 4
96gbs014825 36% 0.555 PF00005 C1_S147 - (0)5 - / 2 / 3 4
97gbs110338 38% 0.427 PF00005 C4_S150 - (48)6 - / 21 / 1 4
98gbs026340 77% 0.612 PF00370 C4_S157 - (57)14 - / 2 / 18 4
99gbs004920 55% 0.535 PF05496 C3_S122 - (0)7 - / 10 / 5 4
100gbs061028 67% 0.538 PF00275 C8_S126 - (15)9 2 / 2 / 7 4

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