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]
100gbs068430 64% 0.533 PF07973 C3_S126 - (10)14 1 / 8 / 9 7
101gbs089830 43% 0.554 PF02852 C3_S158 - (51)4 18 / 2 / - 2
102gbs077129 62% 0.503 PF01336 C6_S138 - (25)12 - / 6 / 6 5
103gbs002329 79% 0.473 PF01259 C3_S142 - (36)12 - / 17 / 10 6
104gbs088629 72% 0.466 PF01409 C4_S120 - (13)11 2 / 6 / 6 9
105gbs050729 43% 0.355 PF00005 C1_S184 - (75)5 - / 6 / 1 2
106gbs174029 43% 0.378 PF00005 C1_S175 - (75)7 - / 7 / 4 4
107gbs172428 42% 0.715 PF08501 C7_S150 - (47)7 10 / 6 / 4 2
108gbs191128 75% 0.532 PF00128 C1_S1106 - (0)16 - / 1 / 18 7
109gbs086828 68% 0.532 PF03119 C1_S154 - (34)20 - / 16 / 12 14
110gbs115428 75% 0.558 PF00478 C2_S156 - (41)5 - / 4 / 6 3
111gbs169428 71% 0.606 PF02733 C11_S147 - (25)8 3 / - / 7 0
112gbs054028 54% 0.659 PF02882 C5_S151 - (37)15 7 / 6 / 12 7
113gbs067328 47% 0.617 PF01081 C2_S130 - (26)4 - / - / 10 1
114gbs093328 57% 0.573 PF01380 C1_S114 - (13)10 - / - / 11 5
115gbs181128 100% 0.507 PF00044 C1_S118 - (10)3 6 / 2 / - 2
116gbs061028 67% 0.538 PF00275 C8_S126 - (15)9 2 / 2 / 7 4
117gbs011627 56% 0.712 PF05025 C1_S126 - (0)6 - / - / 10 1
118gbs173027 37% 0.518 PF00793 C4_S120 - (17)8 - / - / 8 3
119gbs174227 36% 0.371 PF00005 C2_S120 - (0)10 - / 1 / 16 5
120gbs084927 61% 0.510 PF00438 C2_S19 - (5)6 - / - / 6 1
121gbs027927 52% 0.547 PF00271 C5_S142 - (0)4 1 / 4 / 4 3
122gbs116527 41% 0.529 PF00266 C1_S143 - (33)7 - / - / 19 2
123gbs202327 88% 0.597 PF01676 C7_S117 - (4)7 - / - / 8 3
124gbs145527 75% 0.674 PF02224 C3_S132 - (29)11 1 / 10 / 8 6
125gbs205426 38% 0.491 PF00488 C3_S169 - (0)2 - / 12 / 12 0
126gbs144926 69% 0.592 PF01487 C4_S130 - (13)15 - / - / 15 4
127gbs174826 41% 0.471 PF13193 C5_S153 - (21)13 - / - / 6 0
128gbs088326 62% 0.516 PF00275 C6_S119 - (11)6 1 / 2 / 6 3
129gbs175126 42% 0.575 PF00557 C1_S120 - (1)4 - / 1 / 4 0
130gbs081926 63% 0.606 PF01182 C1_S119 - (11)12 - / - / 12 6
131gbs005426 65% 0.614 PF00107 C1_S158 - (33)8 1 / 1 / 2 2
132gbs053826 63% 0.632 PF08402 C1_S133 - (0)8 - / 1 / 9 0
133gbs102426 37% 0.540 PF00005 C1_S131 - (0)10 - / 6 / 10 5
134gbs144326 39% 0.516 PF00266 C1_S146 - (35)5 - / - / 14 1
135gbs202426 42% 0.553 PF01791 C4_S133 - (12)6 - / - / 7 1
136gbs057226 43% 0.477 PF01336 C7_S173 - (49)10 - / 13 / - 5
137gbs172826 49% 0.473 PF01168 C2_S148 - (37)6 - / 6 / 14 3
138gbs000725 78% 0.573 PF01195 C2_S123 - (0)13 - / 1 / 8 5
139gbs014825 36% 0.555 PF00005 C1_S147 - (0)5 - / 2 / 3 4
140gbs012325 48% 0.534 PF00764 C5_S119 - (16)6 - / - / 4 2
141gbs157225 93% 0.644 PF00696 C1_S128 - (19)7 - / 3 / 4 3
142gbs140125 44% 0.395 PF00005 C1_S157 - (55)6 - / 2 / 2 2
143gbs086125 80% 0.538 PF00275 C6_S119 - (11)6 - / 6 / 2 3
144gbs181925 83% 0.728 PF00834 C3_S116 - (10)5 - / - / 4 2
145gbs061525 45% 0.609 PF03767 C5_S130 - (1)11 - / - / 19 4
146gbs191925 61% 0.480 PF04650 C5_S175 - (37)10 - / - / 19 4
147gbs033825 53% 0.512 PF07977 C1_S124 - (1)6 - / - / 5 0
148gbs003825 31% 0.593 PF00701 C7_S116 - (16)5 - / - / 8 1
149gbs030125 64% 0.582 PF00625 C3_S120 - (10)1 - / 4 / 1 1
150gbs056525 39% 0.528 PF08402 C1_S115 - (0)2 - / - / 5 1

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