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]
100gbs078817 69% 0.539 PF08245 C1_S142 - (19)5 2 / 2 / - 4
101gbs086020 42% 0.624 PF02581 C2_S144 - (35)13 - / 7 / 10 4
102gbs174029 43% 0.378 PF00005 C1_S175 - (75)7 - / 7 / 4 4
103gbs015430 60% 0.574 PF00579 C3_S151 - (40)7 - / 9 / 7 4
104gbs191925 61% 0.480 PF04650 C5_S175 - (37)10 - / - / 19 4
105gbs084132 67% 0.533 PF00171 C4_S120 - (0)8 2 / 10 / 1 4
106gbs014825 36% 0.555 PF00005 C1_S147 - (0)5 - / 2 / 3 4
107gbs061525 45% 0.609 PF03767 C5_S130 - (1)11 - / - / 19 4
108gbs045518 56% 0.480 PF00317 C4_S18 - (8)3 - / 2 / 2 3
109gbs202015 45% 0.424 PF00905 C2_S134 - (0)3 - / - / 3 3
110gbs027720 60% 0.525 PF00905 C1_S126 - (0)6 - / - / 6 3
111gbs027927 52% 0.547 PF00271 C5_S142 - (0)4 1 / 4 / 4 3
112gbs023320 54% 0.480 PF04069 C3_S129 - (1)7 - / - / 5 3
113gbs127023 98% 0.777 PF08124 C1_S129 - (0)10 1 / 1 / 9 3
114gbs119220 73% 0.601 PF00171 C3_S134 - (0)8 - / 2 / 8 3
115gbs212724 56% 0.530 PF00579 C3_S136 - (28)5 - / - / 7 3
116gbs078744 75% 0.586 PF01820 C1_S168 - (50)9 - / 18 / 16 3
117gbs044018 38% 0.480 PF02608 C3_S114 - (0)3 - / 5 / - 3
118gbs076934 58% 0.566 PF00926 C7_S124 - (0)8 - / - / 17 3
119gbs191620 57% 0.561 PF00294 C1_S143 - (34)5 - / 5 / 2 3
120gbs033539 55% 0.658 PF00106 C1_S159 - (38)13 12 / 4 / 2 3
121gbs200523 72% 0.508 PF01717 C2_S113 - (8)7 - / 1 / 8 3
122gbs204820 37% 0.525 PF00994 C3_S110 - (0)6 - / 2 / 5 3
123gbs139523 68% 0.526 PF00288 C1_S151 - (26)9 - / 11 / 1 3
124gbs166417 36% 0.460 PF08245 C2_S124 - (13)4 1 / 2 / 1 3
125gbs108221 52% 0.601 PF00215 C1_S141 - (24)11 - / 12 / 3 3
126gbs094216 39% 0.604 PF02608 C3_S114 - (0)3 - / 4 / 1 3
127gbs089920 64% 0.581 PF03099 C3_S123 - (16)5 - / 1 / 3 3
128gbs183321 74% 0.545 PF13193 C3_S158 - (31)8 - / 10 / 3 3
129gbs155320 43% 0.672 PF01121 C2_S127 - (19)4 - / 3 / 1 3
130gbs060523 45% 0.603 PF00702 C2_S115 - (13)4 - / - / 4 3
131gbs185033 54% 0.580 PF00923 C4_S153 - (1)8 - / - / 17 3
132gbs004220 52% 0.604 PF02844 C1_S132 - (21)4 - / 3 / 5 3
133gbs133420 61% 0.474 PF00294 C1_S144 - (31)3 - / 2 / 2 3
134gbs118330 59% 0.626 PF01227 C9_S125 - (0)8 - / - / 22 3
135gbs028432 52% 0.523 PF07992 C1_S1111 - (101)8 5 / 11 / 4 3
136gbs086125 80% 0.538 PF00275 C6_S119 - (11)6 - / 6 / 2 3
137gbs172826 49% 0.473 PF01168 C2_S148 - (37)6 - / 6 / 14 3
138gbs115428 75% 0.558 PF00478 C2_S156 - (41)5 - / 4 / 6 3
139gbs104814 47% 0.564 PF01926 C14_S113 - (0)4 - / 7 / - 3
140gbs057130 40% 0.633 PF00155 C1_S138 - (33)7 - / 1 / 24 3
141gbs101919 38% 0.543 PF00512 C3_S130 - (23)4 2 / 3 / - 3
142gbs178320 45% 0.546 PF00348 C1_S124 - (19)7 - / - / 9 3
143gbs043019 37% 0.565 PF00512 C3_S133 - (26)4 1 / 3 / - 3
144gbs087420 36% 0.545 PF00534 C1_S150 - (21)6 - / 7 / 7 3
145gbs014734 38% 0.461 PF00005 C1_S147 - (0)5 - / 1 / 16 3
146gbs012219 34% 0.537 PF00512 C4_S132 - (29)5 3 / 8 / - 3
147gbs083718 51% 0.487 PF00317 C2_S117 - (17)3 - / - / 4 3
148gbs180420 61% 0.552 PF00753 C1_S117 - (0)4 5 / 1 / 3 3
149gbs167123 35% 0.483 PF00512 C3_S129 - (24)6 2 / 4 / 1 3
150gbs186715 34% 0.574 PF01712 C4_S151 - (38)4 - / 7 / 2 3

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