Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000751 (Staphylococcus - Mars 2016)

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]
100SA144625 50% 0.443 PF07973 C2_S122 - (19)13 1 / 4 / 7 6
101SA120226 39% 0.533 PF00218 C3_S136 - (9)13 - / 5 / 5 6
102SA232729 34% 0.575 PF02776 C7_S190 - (61)13 - / 21 / - 6
103SA128929 100% 0.558 PF03099 C2_S135 - (11)13 9 / 7 / 4 7
104SA042061 52% 0.518 PF00005 C1_S163 - (0)13 - / 23 / 22 7
105SA084239 100% 0.545 PF08541 C2_S152 - (30)13 - / 5 / 12 2
106SA142458 72% 0.659 PF08501 C4_S175 - (70)13 1 / 19 / 28 4
107SAP01121 93% 0.537 PF00905 C1_S134 - (1)13 - / 1 / 13 6
108SA059965 52% 0.407 PF00005 C2_S159 - (59)12 - / 38 / 10 7
109SA130932 100% 0.575 PF02224 C1_S134 - (31)12 1 / 13 / 10 6
110SA225140 35% 0.597 PF00005 C1_S131 - (0)12 - / 12 / 12 5
111SA108327 44% 0.583 PF01746 C5_S129 - (18)12 - / 21 / 4 5
112SA095044 46% 0.580 PF08402 C2_S129 - (0)12 - / 8 / 16 7
113SA224355 35% 0.533 PF00005 C1_S147 - (0)12 - / 23 / 19 7
114SA052727 49% 0.611 PF01182 C4_S117 - (11)12 - / - / 13 7
115SA233325 42% 0.557 PF00368 C4_S121 - (12)12 - / 1 / - 1
116SA060238 35% 0.517 PF00005 C1_S138 - (0)12 - / 7 / 22 5
117SA073158 81% 0.631 PF03952 C1_S148 - (33)12 - / 3 / 33 6
118SA091830 57% 0.475 PF01259 C4_S152 - (39)12 - / 18 / 9 6
119SA029746 38% 0.601 PF00005 C1_S141 - (0)12 - / 13 / 15 5
120SA107438 100% 0.661 PF00106 C1_S163 - (41)12 12 / 5 / 8 2
121SA025623 61% 0.611 PF00232 C3_S191 - (72)12 - / 2 / 8 6
122SA091632 100% 0.679 PF00731 C9_S138 - (28)12 - / 1 / 16 4
123SA242740 64% 0.616 PF02729 C8_S146 - (36)12 - / 8 / 17 5
124SA240220 37% 0.571 PF13193 C5_S168 - (40)12 - / 3 / 8 4
125SA104723 54% 0.659 PF00215 C1_S142 - (28)12 - / 11 / 5 3
126SA088423 43% 0.564 PF03099 C4_S132 - (20)12 3 / 2 / 13 3
127SA191446 76% 0.517 PF13793 C3_S159 - (46)12 - / 10 / 22 4
128SA101239 64% 0.700 PF02729 C5_S150 - (42)12 - / 8 / 17 5
129SA212925 34% 0.492 PF01263 C4_S148 - (39)12 - / - / 9 6
130SA017634 38% 0.558 PF00696 C1_S155 - (43)12 - / 3 / 15 5
131SA046030 43% 0.592 PF01195 C3_S119 - (0)12 - / 1 / 8 4
132SA047529 73% 0.482 PF01336 C5_S140 - (28)12 - / 7 / 5 5
133SA067744 46% 0.621 PF08402 C1_S128 - (0)12 - / 16 / 8 5
134SA014720 36% 0.540 PF02719 C1_S177 - (68)12 4 / 6 / 5 5
135SA220041 57% 0.626 PF08402 C1_S142 - (0)12 - / 9 / 22 5
136SA041936 54% 0.571 PF01053 C1_S125 - (19)11 - / 2 / 11 5
137SA112833 67% 0.521 PF00154 C2_S141 - (0)11 - / 16 / 8 5
138SA225228 33% 0.554 PF09383 C1_S121 - (0)11 - / - / 15 5
139SA172833 59% 0.531 PF02540 C7_S161 - (54)11 - / 14 / 13 5
140SA185920 43% 0.549 PF02776 C2_S172 - (28)11 9 / 1 / 8 3
141SA154530 45% 0.585 PF02826 C2_S164 - (50)11 10 / 3 / 4 2
142SA085528 64% 0.571 PF00579 C5_S131 - (23)11 6 / 1 / 6 3
143SA188757 100% 0.619 PF01820 C1_S181 - (57)11 - / 18 / 22 3
144SA034736 39% 0.519 PF01053 C1_S123 - (17)11 - / 2 / 11 5
145SA168353 100% 0.405 PF00005 C1_S164 - (58)11 - / 29 / 7 6
146SA233748 48% 0.457 PF07670 C9_S165 - (0)11 5 / 28 / 10 7
147SA134225 69% 0.497 PF03446 C1_S128 - (16)11 - / 3 / 9 5
148SA013748 40% 0.548 PF08402 C1_S146 - (0)11 - / 16 / 19 6
149SA241641 42% 0.456 PF08402 C1_S122 - (0)11 - / 6 / 12 5
150SA098529 93% 0.454 PF01409 C3_S120 - (13)11 2 / 6 / 6 9

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