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]
50gbs164941 74% 0.595 PF01177 C3_S158 - (41)7 - / - / 30 3
51gbs026340 77% 0.612 PF00370 C4_S157 - (57)14 - / 2 / 18 4
52gbs004340 63% 0.605 PF00731 C4_S138 - (28)12 - / 1 / 20 4
53gbs204739 63% 0.547 PF00154 C3_S139 - (0)11 - / 17 / 7 5
54gbs212439 73% 0.710 PF02729 C8_S150 - (42)11 - / 5 / 20 5
55gbs211839 69% 0.539 PF00478 C3_S164 - (45)15 - / 10 / 19 4
56gbs033539 55% 0.658 PF00106 C1_S159 - (38)13 12 / 4 / 2 3
57gbs208539 65% 0.624 PF02729 C8_S146 - (36)12 - / 8 / 18 5
58gbs117838 49% 0.482 PF00005 C2_S133 - (0)11 - / - / 17 5
59gbs162138 48% 0.522 PF00266 C1_S156 - (43)3 - / - / 37 1
60gbs110338 38% 0.427 PF00005 C4_S150 - (48)6 - / 21 / 1 4
61gbs094137 60% 0.651 PF00383 C5_S156 - (38)13 - / - / 29 7
62gbs033937 58% 0.622 PF02786 C1_S170 - (33)14 - / 15 / 10 8
63gbs195037 37% 0.483 PF00005 C1_S135 - (0)12 - / 9 / 13 6
64gbs056037 38% 0.429 PF08282 C1_S134 - (25)11 - / 5 / 9 1
65gbs208437 48% 0.558 PF00696 C6_S144 - (19)8 - / 8 / 14 2
66gbs212636 65% 0.589 PF00696 C2_S144 - (19)8 - / 8 / 14 2
67gbs012036 40% 0.571 PF00005 C1_S121 - (0)10 - / 2 / 18 5
68gbs188336 83% 0.485 PF01327 C5_S195 - (25)18 - / 4 / 19 7
69gbs050136 43% 0.495 PF01467 C1_S1112 - (90)10 - / 12 / 9 5
70gbs154235 48% 0.640 PF00248 C6_S1121 - (72)13 15 / - / 3 3
71gbs140035 56% 0.434 PF00005 C1_S142 - (42)3 - / 15 / - 2
72gbs066334 37% 0.527 PF08402 C1_S152 - (49)10 - / - / 15 5
73gbs014734 38% 0.461 PF00005 C1_S147 - (0)5 - / 1 / 16 3
74gbs092234 35% 0.398 PF08282 C1_S132 - (24)8 - / 3 / 7 1
75gbs185334 90% 0.634 PF00215 C1_S142 - (37)11 - / - / 27 6
76gbs076934 58% 0.566 PF00926 C7_S124 - (0)8 - / - / 17 3
77gbs191234 50% 0.519 PF08402 C1_S129 - (0)9 - / 1 / 13 4
78gbs183934 42% 0.431 PF00005 C2_S125 - (0)10 - / - / 19 5
79gbs028633 63% 0.539 PF02540 C6_S156 - (50)11 1 / 11 / 13 5
80gbs144833 39% 0.455 PF01202 C3_S158 - (54)4 4 / 13 / 8 2
81gbs122833 85% 0.490 PF00521 C3_S164 - (0)8 - / - / 28 1
82gbs102333 39% 0.533 PF00005 C1_S132 - (0)12 - / 8 / 16 6
83gbs185033 54% 0.580 PF00923 C4_S153 - (1)8 - / - / 17 3
84gbs015733 51% 0.393 PF04998 54 - (0)0 - / - / - 0
85gbs192733 49% 0.607 PF02580 C11_S119 - (0)9 - / 1 / 8 2
86gbs046632 47% 0.574 PF00248 C7_S1185 - (128)6 - / - / 8 0
87gbs108632 75% 0.567 PF02774 C2_S161 - (35)20 10 / 12 / 16 8
88gbs015632 63% 0.390 PF04560 C7_S172 - (0)2 - / - / 21 0
89gbs028432 52% 0.523 PF07992 C1_S1111 - (101)8 5 / 11 / 4 3
90gbs084132 67% 0.533 PF00171 C4_S120 - (0)8 2 / 10 / 1 4
91gbs085832 46% 0.541 PF08543 C2_S1108 - (74)8 - / 5 / 12 2
92gbs055131 77% 0.490 PF00216 C6_S158 - (0)2 3 / 4 / 10 0
93gbs001831 38% 0.608 PF00155 C1_S145 - (34)9 - / 1 / 22 2
94gbs019830 49% 0.445 PF00575 C3_S130 - (0)? - / 3 / 10 0
95gbs118330 59% 0.626 PF01227 C9_S125 - (0)8 - / - / 22 3
96gbs015430 60% 0.574 PF00579 C3_S151 - (40)7 - / 9 / 7 4
97gbs089830 43% 0.554 PF02852 C3_S158 - (51)4 18 / 2 / - 2
98gbs068430 64% 0.533 PF07973 C3_S126 - (10)14 1 / 8 / 9 7
99gbs016730 52% 0.528 PF00871 C8_S153 - (44)20 2 / 8 / 15 12
100gbs057130 40% 0.633 PF00155 C1_S138 - (33)7 - / 1 / 24 3

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