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]
50gbs086420 88% 0.473 PF00557 C3_S152 - (1)2 - / - / 3 1
51gbs083622 87% 0.571 PF00268 C4_S16 - (0)2 - / - / 1 1
52gbs04153 87% 0.710 PF07465 0 - (0)? - / - / - 0
53gbs175019 86% 0.532 PF00383 C5_S122 - (7)2 - / 5 / - 1
54gbs122751 86% 0.514 PF01063 C7_S188 - (73)20 - / 4 / 45 4
55gbs006815 86% 0.659 PF00238 0 - (0)? - / - / - 0
56gbs101815 86% 0.640 PF00440 8 - (0)? - / - / - 0
57gbs133110 85% 0.556 PF02255 0 - (0)? - / - / - 0
58gbs122833 85% 0.490 PF00521 C3_S164 - (0)8 - / - / 28 1
59gbs210314 85% 0.569 PF03054 C1_S122 - (16)2 - / 1 / 2 1
60gbs022316 84% 0.548 PF06013 1 - (0)? - / - / - 0
61gbs122949 84% 0.523 PF01751 C3_S147 - (0)17 5 / 20 / 9 10
62gbs007993 84% 0.676 PF05191 C3_S1143 - (132)10 60 / 26 / 2 5
63gbs181925 83% 0.728 PF00834 C3_S116 - (10)5 - / - / 4 2
64gbs033620 83% 0.876 PF02801 0 - (0)? - / - / - 0
65gbs103115 83% 0.704 PF00325 C1_S15 - (0)1 - / - / 1 1
66gbs201222 83% 0.524 PF13603 C1_S117 - (0)4 - / 4 / 1 1
67gbs188336 83% 0.485 PF01327 C5_S195 - (25)18 - / 4 / 19 7
68gbs197910 83% 0.616 PF06013 1 - (0)? - / - / - 0
69gbs158920 83% 0.611 PF01297 C7_S14 - (0)1 - / - / 1 1
70gbs076412 82% 0.377 PF03830 C6_S18 - (0)5 2 / - / 2 2
71gbs074115 82% 0.565 PF00072 13 - (0)1 - / - / - 0
72gbs157016 81% 0.543 PF00575 5 - (0)1 - / - / - 0
73gbs032610 81% 0.571 PF02482 0 - (0)? - / - / - 0
74gbs006718 81% 0.504 PF00366 1 - (0)? - / - / - 0
75gbs150752 81% 0.492 PF00343 C5_S1103 - (32)20 - / 14 / 38 31
76gbs209620 81% 0.589 PF01479 0 - (0)? - / - / - 0
77gbs185416 80% 0.676 PF00359 3 - (0)? - / - / - 0
78gbs086125 80% 0.538 PF00275 C6_S119 - (11)6 - / 6 / 2 3
79gbs008420 80% 0.549 PF01193 4 - (0)? - / - / - 0
80gbs127713 80% 0.774 PF00160 2 - (0)? - / - / - 0
81gbs033320 80% 0.588 PF00977 C3_S142 - (26)4 4 / 4 / - 2
82gbs011022 80% 0.696 PF00484 9 - (0)3 - / - / - 0
83gbs00050 80% 0.768 PF00717 2 - (0)? - / - / - 0
84gbs054516 80% 0.523 PF05185 21 - (17)? - / - / - 0
85gbs009689 80% 0.602 PF00012 C1_S1105 - (0)20 13 / 49 / 12 9
86gbs029216 80% 0.583 PF05175 C1_S120 - (0)1 - / 2 / 1 1
87gbs094620 79% 0.545 PF02852 C1_S1111 - (100)4 4 / - / - 1
88gbs144720 79% 0.477 PF01264 C7_S12 - (0)2 - / 1 / 1 2
89gbs159450 79% 0.606 PF12804 C4_S150 - (33)20 1 / 27 / 15 12
90gbs125370 79% 0.586 PF01048 C3_S180 - (43)20 - / 7 / 46 19
91gbs155518 79% 0.576 PF00717 12 - (0)? - / - / - 0
92gbs190620 79% 0.487 PF03949 C5_S117 - (12)1 - / - / 1 0
93gbs17966 79% 0.545 PF02852 C3_S150 - (45)2 2 / - / - 1
94gbs002329 79% 0.473 PF01259 C3_S142 - (36)12 - / 17 / 10 6
95gbs110666 79% 0.508 PF00464 C1_S197 - (51)15 - / 1 / 52 4
96gbs11623 79% 0.508 PF01877 4 - (0)1 - / - / - 0
97gbs157921 79% 0.559 PF03946 6 - (0)1 - / - / - 0
98gbs007519 79% 0.565 PF03719 4 - (0)1 - / - / - 0
99gbs000725 78% 0.573 PF01195 C2_S123 - (0)13 - / 1 / 8 5
100gbs048513 78% 0.505 PF07883 7 - (0)? - / - / - 0

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