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]
50gbs033539 55% 0.658 PF00106 C1_S159 - (38)13 12 / 4 / 2 3
51gbs125642 77% 0.597 PF06026 C10_S139 - (16)13 - / - / 27 7
52gbs174826 41% 0.471 PF13193 C5_S153 - (21)13 - / - / 6 0
53gbs000725 78% 0.573 PF01195 C2_S123 - (0)13 - / 1 / 8 5
54gbs117023 52% 0.542 PF00232 C2_S190 - (70)13 - / 1 / 9 5
55gbs142424 50% 0.574 PF01746 C5_S130 - (19)12 - / 16 / 6 5
56gbs077129 62% 0.503 PF01336 C6_S138 - (25)12 - / 6 / 6 5
57gbs081926 63% 0.606 PF01182 C1_S119 - (11)12 - / - / 12 6
58gbs102333 39% 0.533 PF00005 C1_S132 - (0)12 - / 8 / 16 6
59gbs002329 79% 0.473 PF01259 C3_S142 - (36)12 - / 17 / 10 6
60gbs110247 56% 0.454 PF00005 C1_S157 - (57)12 - / 23 / 10 7
61gbs004340 63% 0.605 PF00731 C4_S138 - (28)12 - / 1 / 20 4
62gbs138723 63% 0.540 PF00368 C3_S120 - (12)12 - / 1 / - 1
63gbs195037 37% 0.483 PF00005 C1_S135 - (0)12 - / 9 / 13 6
64gbs208539 65% 0.624 PF02729 C8_S146 - (36)12 - / 8 / 18 5
65gbs140742 55% 0.463 PF00005 C1_S157 - (57)11 - / 21 / 2 6
66gbs079751 47% 0.615 PF00271 C6_S153 - (0)11 2 / 12 / 16 6
67gbs187915 36% 0.460 PF05649 C6_S119 - (0)11 - / 2 / 8 7
68gbs212439 73% 0.710 PF02729 C8_S150 - (42)11 - / 5 / 20 5
69gbs028633 63% 0.539 PF02540 C6_S156 - (50)11 1 / 11 / 13 5
70gbs074948 50% 0.622 PF02978 C5_S175 - (52)11 4 / 16 / 8 3
71gbs060857 96% 0.608 PF03952 C1_S142 - (34)11 - / 3 / 31 7
72gbs108221 52% 0.601 PF00215 C1_S141 - (24)11 - / 12 / 3 3
73gbs185334 90% 0.634 PF00215 C1_S142 - (37)11 - / - / 27 6
74gbs204739 63% 0.547 PF00154 C3_S139 - (0)11 - / 17 / 7 5
75gbs117838 49% 0.482 PF00005 C2_S133 - (0)11 - / - / 17 5
76gbs061525 45% 0.609 PF03767 C5_S130 - (1)11 - / - / 19 4
77gbs056037 38% 0.429 PF08282 C1_S134 - (25)11 - / 5 / 9 1
78gbs145527 75% 0.674 PF02224 C3_S132 - (29)11 1 / 10 / 8 6
79gbs088629 72% 0.466 PF01409 C4_S120 - (13)11 2 / 6 / 6 9
80gbs183934 42% 0.431 PF00005 C2_S125 - (0)10 - / - / 19 5
81gbs007993 84% 0.676 PF05191 C3_S1143 - (132)10 60 / 26 / 2 5
82gbs093328 57% 0.573 PF01380 C1_S114 - (13)10 - / - / 11 5
83gbs057226 43% 0.477 PF01336 C7_S173 - (49)10 - / 13 / - 5
84gbs066334 37% 0.527 PF08402 C1_S152 - (49)10 - / - / 15 5
85gbs174227 36% 0.371 PF00005 C2_S120 - (0)10 - / 1 / 16 5
86gbs012036 40% 0.571 PF00005 C1_S121 - (0)10 - / 2 / 18 5
87gbs084422 50% 0.538 PF00485 C2_S137 - (21)10 2 / 5 / 5 6
88gbs144565 55% 0.578 PF02852 C1_S1152 - (102)10 60 / - / 6 1
89gbs179222 36% 0.570 PF02353 C2_S146 - (26)10 - / 16 / 8 0
90gbs191925 61% 0.480 PF04650 C5_S175 - (37)10 - / - / 19 4
91gbs102426 37% 0.540 PF00005 C1_S131 - (0)10 - / 6 / 10 5
92gbs118120 50% 0.555 PF02152 C3_S119 - (6)10 - / - / 11 9
93gbs127023 98% 0.777 PF08124 C1_S129 - (0)10 1 / 1 / 9 3
94gbs050136 43% 0.495 PF01467 C1_S1112 - (90)10 - / 12 / 9 5
95gbs176024 43% 0.504 PF14815 C2_S148 - (0)9 11 / - / 5 2
96gbs084820 36% 0.515 PF08279 C2_S125 - (17)9 7 / - / 3 6
97gbs013130 55% 0.605 PF08402 C1_S144 - (0)9 - / 12 / 7 5
98gbs061028 67% 0.538 PF00275 C8_S126 - (15)9 2 / 2 / 7 4
99gbs078744 75% 0.586 PF01820 C1_S168 - (50)9 - / 18 / 16 3
100gbs192733 49% 0.607 PF02580 C11_S119 - (0)9 - / 1 / 8 2

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