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]
100gbs180951 63% 0.603 PF00162 C8_S182 - (72)18 - / 25 / 20 8
101gbs158687 49% 0.596 PF00160 C6_S1140 - (0)20 - / 23 / 28 8
102gbs107970 50% 0.622 PF02729 C9_S171 - (45)20 - / 23 / 21 6
103gbs110247 56% 0.454 PF00005 C1_S157 - (57)12 - / 23 / 10 7
104gbs050846 47% 0.452 PF00005 C1_S157 - (55)8 - / 23 / 8 5
105gbs140742 55% 0.463 PF00005 C1_S157 - (57)11 - / 21 / 2 6
106gbs174141 42% 0.384 PF00005 C2_S151 - (49)7 - / 21 / 1 5
107gbs110338 38% 0.427 PF00005 C4_S150 - (48)6 - / 21 / 1 4
108gbs091668 55% 0.636 PF00334 C7_S162 - (57)20 - / 18 / 41 9
109gbs078744 75% 0.586 PF01820 C1_S168 - (50)9 - / 18 / 16 3
110gbs002329 79% 0.473 PF01259 C3_S142 - (36)12 - / 17 / 10 6
111gbs204739 63% 0.547 PF00154 C3_S139 - (0)11 - / 17 / 7 5
112gbs086828 68% 0.532 PF03119 C1_S154 - (34)20 - / 16 / 12 14
113gbs179222 36% 0.570 PF02353 C2_S146 - (26)10 - / 16 / 8 0
114gbs142424 50% 0.574 PF01746 C5_S130 - (19)12 - / 16 / 6 5
115gbs033937 58% 0.622 PF02786 C1_S170 - (33)14 - / 15 / 10 8
116gbs140035 56% 0.434 PF00005 C1_S142 - (42)3 - / 15 / - 2
117gbs150752 81% 0.492 PF00343 C5_S1103 - (32)20 - / 14 / 38 31
118gbs057226 43% 0.477 PF01336 C7_S173 - (49)10 - / 13 / - 5
119gbs205426 38% 0.491 PF00488 C3_S169 - (0)2 - / 12 / 12 0
120gbs050136 43% 0.495 PF01467 C1_S1112 - (90)10 - / 12 / 9 5
121gbs013130 55% 0.605 PF08402 C1_S144 - (0)9 - / 12 / 7 5
122gbs108221 52% 0.601 PF00215 C1_S141 - (24)11 - / 12 / 3 3
123gbs034324 55% 0.446 PF00587 C2_S135 - (34)7 - / 11 / 6 4
124gbs139523 68% 0.526 PF00288 C1_S151 - (26)9 - / 11 / 1 3
125gbs177322 42% 0.461 PF01243 C4_S139 - (0)2 - / 11 / - 1
126gbs163546 71% 0.583 PF00156 C2_S164 - (45)13 - / 10 / 21 4
127gbs211839 69% 0.539 PF00478 C3_S164 - (45)15 - / 10 / 19 4
128gbs004920 55% 0.535 PF05496 C3_S122 - (0)7 - / 10 / 5 4
129gbs183321 74% 0.545 PF13193 C3_S158 - (31)8 - / 10 / 3 3
130gbs162921 36% 0.672 PF00005 C1_S119 - (0)4 - / 10 / 2 2
131gbs195037 37% 0.483 PF00005 C1_S135 - (0)12 - / 9 / 13 6
132gbs015430 60% 0.574 PF00579 C3_S151 - (40)7 - / 9 / 7 4
133gbs033121 58% 0.518 PF08541 C1_S122 - (10)7 - / 9 / 3 4
134gbs010023 37% 0.603 PF08543 C1_S193 - (58)7 - / 9 / 2 2
135gbs110820 36% 0.547 PF05175 C1_S133 - (0)4 - / 9 / 1 0
136gbs044120 46% 0.534 PF00483 C1_S138 - (30)4 - / 9 / 1 2
137gbs043252 51% 0.538 PF01702 C6_S141 - (16)20 - / 8 / 24 21
138gbs208539 65% 0.624 PF02729 C8_S146 - (36)12 - / 8 / 18 5
139gbs102333 39% 0.533 PF00005 C1_S132 - (0)12 - / 8 / 16 6
140gbs208437 48% 0.558 PF00696 C6_S144 - (19)8 - / 8 / 14 2
141gbs212636 65% 0.589 PF00696 C2_S144 - (19)8 - / 8 / 14 2
142gbs184020 44% 0.529 PF00456 C3_S115 - (10)7 - / 8 / 3 4
143gbs181217 67% 0.488 PF03144 C2_S119 - (0)4 - / 8 / 2 2
144gbs180020 44% 0.569 PF00814 C2_S133 - (33)7 - / 8 / 2 4
145gbs125370 79% 0.586 PF01048 C3_S180 - (43)20 - / 7 / 46 19
146gbs116121 46% 0.562 PF01513 C3_S144 - (34)20 - / 7 / 15 13
147gbs004423 50% 0.545 PF02222 C2_S152 - (37)8 - / 7 / 11 5
148gbs086020 42% 0.624 PF02581 C2_S144 - (35)13 - / 7 / 10 4
149gbs087420 36% 0.545 PF00534 C1_S150 - (21)6 - / 7 / 7 3
150gbs143422 61% 0.661 PF00156 C3_S183 - (44)6 - / 7 / 6 2

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