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]
50gbs132963 94% 0.817 PF00232 C3_S188 - (66)20 - / - / 44 23
51gbs122751 86% 0.514 PF01063 C7_S188 - (73)20 - / 4 / 45 4
52gbs118044 47% 0.630 PF01288 C7_S188 - (37)18 2 / 21 / 16 9
53gbs030720 45% 0.517 PF00069 C1_S185 - (14)4 - / 4 / 5 3
54gbs12120 39% 0.034 PF00107 85 - (83)? - / - / - 0
55gbs050729 43% 0.355 PF00005 C1_S184 - (75)5 - / 6 / 1 2
56gbs211021 55% 0.510 PF00005 C1_S184 - (0)1 - / - / 1 1
57gbs123154 55% 0.539 PF03167 C10_S184 - (0)20 - / 4 / 36 12
58gbs143422 61% 0.661 PF00156 C3_S183 - (44)6 - / 7 / 6 2
59gbs180951 63% 0.603 PF00162 C8_S182 - (72)18 - / 25 / 20 8
60gbs14049 36% 0.467 PF01327 C5_S181 - (11)1 - / - / 1 0
61gbs125370 79% 0.586 PF01048 C3_S180 - (43)20 - / 7 / 46 19
62gbs157720 41% 0.532 PF00496 79 - (0)? - / - / - 0
63gbs184723 39% 0.571 PF02826 C1_S179 - (62)4 - / - / 4 0
64gbs178820 41% 0.565 PF07992 79 - (53)? - / - / - 0
65gbs054442 57% 0.517 PF00348 C1_S178 - (60)13 - / 1 / 28 7
66gbs101741 51% 0.585 PF02978 C9_S176 - (0)13 3 / 13 / 12 4
67gbs127122 94% 0.772 PF01370 C1_S175 - (68)4 23 / - / - 2
68gbs191925 61% 0.480 PF04650 C5_S175 - (37)10 - / - / 19 4
69gbs174029 43% 0.378 PF00005 C1_S175 - (75)7 - / 7 / 4 4
70gbs074948 50% 0.622 PF02978 C5_S175 - (52)11 4 / 16 / 8 3
71gbs058420 35% 0.647 PF00258 74 - (72)? - / - / - 0
72gbs057226 43% 0.477 PF01336 C7_S173 - (49)10 - / 13 / - 5
73gbs015632 63% 0.390 PF04560 C7_S172 - (0)2 - / - / 21 0
74gbs185944 74% 0.523 PF00709 C3_S171 - (54)18 - / 27 / 14 7
75gbs107970 50% 0.622 PF02729 C9_S171 - (45)20 - / 23 / 21 6
76gbs033937 58% 0.622 PF02786 C1_S170 - (33)14 - / 15 / 10 8
77gbs081120 72% 0.590 PF00232 69 - (52)? - / - / - 0
78gbs205426 38% 0.491 PF00488 C3_S169 - (0)2 - / 12 / 12 0
79gbs078744 75% 0.586 PF01820 C1_S168 - (50)9 - / 18 / 16 3
80gbs170643 47% 0.624 PF01467 C4_S168 - (39)18 12 / 7 / 12 5
81gbs012620 57% 0.574 PF00056 C3_S167 - (56)2 3 / 2 / - 1
82gbs04755 45% 0.626 PF00717 67 - (0)? - / - / - 0
83gbs138217 62% 0.575 PF01926 C1_S167 - (63)3 - / 6 / - 2
84gbs16730 33% 0.242 PF11799 66 - (65)? - / - / - 0
85gbs125157 94% 0.550 PF01048 C1_S166 - (46)20 - / - / 45 15
86gbs078248 75% 0.637 PF03143 C3_S165 - (0)5 13 / 25 / 2 3
87gbs163546 71% 0.583 PF00156 C2_S164 - (45)13 - / 10 / 21 4
88gbs122833 85% 0.490 PF00521 C3_S164 - (0)8 - / - / 28 1
89gbs211839 69% 0.539 PF00478 C3_S164 - (45)15 - / 10 / 19 4
90gbs187520 55% 0.549 PF07992 C2_S164 - (63)2 7 / - / - 1
91gbs025920 41% 0.602 PF02525 64 - (39)1 - / - / - 0
92gbs154310 54% 0.547 PF00881 64 - (41)2 - / - / - 0
93gbs054122 53% 0.618 PF03853 C3_S163 - (51)5 - / 3 / 1 2
94gbs019616 30% 0.397 PF00175 63 - (35)1 - / - / - 0
95gbs156019 47% 0.659 PF01926 C1_S162 - (0)4 6 / 3 / 1 2
96gbs049219 45% 0.465 PF10458 62 - (4)? - / - / - 0
97gbs030420 46% 0.626 PF00551 62 - (8)2 - / - / - 0
98gbs080420 54% 0.524 PF00356 62 - (0)? - / - / - 0
99gbs091668 55% 0.636 PF00334 C7_S162 - (57)20 - / 18 / 41 9
100gbs108632 75% 0.567 PF02774 C2_S161 - (35)20 10 / 12 / 16 8

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