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]
100gbs014016 78% 0.515 PF01592 5 - (0)? - / - / - 0
101gbs048513 78% 0.505 PF07883 7 - (0)? - / - / - 0
102gbs163721 78% 0.556 PF00588 C5_S127 - (0)3 - / 6 / - 0
103gbs041217 78% 0.557 PF02390 30 - (18)? - / - / - 0
104gbs09508 78% 0.433 PF00903 13 - (0)? - / - / - 0
105gbs145220 78% 0.515 PF00453 0 - (0)? - / - / - 0
106gbs000725 78% 0.573 PF01195 C2_S123 - (0)13 - / 1 / 8 5
107gbs002724 78% 0.636 PF00551 C7_S1145 - (15)3 - / - / 2 1
108gbs171820 77% 0.572 PF00857 C5_S130 - (0)4 - / - / 5 1
109gbs055131 77% 0.490 PF00216 C6_S158 - (0)2 3 / 4 / 10 0
110gbs125642 77% 0.597 PF06026 C10_S139 - (16)13 - / - / 27 7
111gbs026340 77% 0.612 PF00370 C4_S157 - (57)14 - / 2 / 18 4
112gbs088120 77% 0.511 PF02874 0 - (0)? - / - / - 0
113gbs087920 76% 0.513 PF02874 0 - (0)? - / - / - 0
114gbs004720 76% 0.576 PF00206 C3_S119 - (9)3 - / - / 3 1
115gbs005816 76% 0.346 PF00297 0 - (0)? - / - / - 0
116gbs058715 76% 0.445 PF01245 2 - (0)? - / - / - 0
117gbs003220 76% 0.641 PF04131 C2_S133 - (11)6 - / - / 6 2
118gbs108120 76% 0.637 PF00156 C2_S132 - (19)3 - / - / 3 1
119gbs109116 76% 0.608 PF02146 34 - (12)? - / - / - 0
120gbs145527 75% 0.674 PF02224 C3_S132 - (29)11 1 / 10 / 8 6
121gbs010818 75% 0.239 PF00692 C5_S130 - (19)4 - / - / 2 0
122gbs191128 75% 0.532 PF00128 C1_S1106 - (0)16 - / 1 / 18 7
123gbs006115 75% 0.428 PF03947 0 - (0)? - / - / - 0
124gbs115428 75% 0.558 PF00478 C2_S156 - (41)5 - / 4 / 6 3
125gbs108632 75% 0.567 PF02774 C2_S161 - (35)20 10 / 12 / 16 8
126gbs078248 75% 0.637 PF03143 C3_S165 - (0)5 13 / 25 / 2 3
127gbs119820 75% 0.558 PF08534 14 - (0)2 - / - / - 0
128gbs078744 75% 0.586 PF01820 C1_S168 - (50)9 - / 18 / 16 3
129gbs147717 75% 0.484 PF05737 0 - (0)? - / - / - 0
130gbs008517 74% 0.563 PF01196 0 - (0)? - / - / - 0
131gbs20973 74% 0.629 PF01423 2 - (0)? - / - / - 0
132gbs05334 74% 0.643 PF01717 0 - (0)? - / - / - 0
133gbs185944 74% 0.523 PF00709 C3_S171 - (54)18 - / 27 / 14 7
134gbs10937 74% 0.584 PF01597 15 - (0)? - / - / - 0
135gbs017220 74% 0.577 PF02127 2 - (0)? - / - / - 0
136gbs164941 74% 0.595 PF01177 C3_S158 - (41)7 - / - / 30 3
137gbs183321 74% 0.545 PF13193 C3_S158 - (31)8 - / 10 / 3 3
138gbs212439 73% 0.710 PF02729 C8_S150 - (42)11 - / 5 / 20 5
139gbs159167 73% 0.628 PF01048 C1_S191 - (49)20 - / 37 / 17 13
140gbs171912 73% 0.581 PF08222 4 - (0)? - / - / - 0
141gbs166720 73% 0.623 PF01926 C1_S127 - (0)3 - / 5 / - 2
142gbs043619 73% 0.562 PF00383 C4_S127 - (8)2 - / 1 / 4 0
143gbs146917 73% 0.365 PF01595 C1_S124 - (0)1 - / - / 2 1
144gbs119220 73% 0.601 PF00171 C3_S134 - (0)8 - / 2 / 8 3
145gbs007220 73% 0.683 PF00410 9 - (0)? - / - / - 0
146gbs181422 73% 0.536 PF00164 C2_S114 - (0)0 - / - / 2 0
147gbs133320 72% 0.595 PF01791 C5_S110 - (3)1 - / - / 2 1
148gbs007420 72% 0.439 PF00861 1 - (0)? - / - / - 0
149gbs081120 72% 0.590 PF00232 69 - (52)? - / - / - 0
150gbs20997 72% 0.506 PF01281 0 - (0)? - / - / - 0

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