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]
100SA108039 54% 0.540 PF02978 C4_S161 - (0)13 3 / 13 / 15 4
101SA207245 39% 0.549 PF08402 C1_S134 - (0)13 - / - / 25 6
102SA142458 72% 0.659 PF08501 C4_S175 - (70)13 1 / 19 / 28 4
103SA220446 54% 0.455 PF00300 C1_S143 - (36)13 - / - / 22 5
104SA232729 34% 0.575 PF02776 C7_S190 - (61)13 - / 21 / - 6
105SA160668 56% 0.498 PF00248 C7_S1156 - (118)13 36 / 7 / 4 3
106SA071939 97% 0.634 PF07992 C2_S1113 - (100)13 6 / 12 / 8 4
107SA042061 52% 0.518 PF00005 C1_S163 - (0)13 - / 23 / 22 7
108SA017634 38% 0.558 PF00696 C1_S155 - (43)12 - / 3 / 15 5
109SA088423 43% 0.564 PF03099 C4_S132 - (20)12 3 / 2 / 13 3
110SA104723 54% 0.659 PF00215 C1_S142 - (28)12 - / 11 / 5 3
111SA224355 35% 0.533 PF00005 C1_S147 - (0)12 - / 23 / 19 7
112SA095044 46% 0.580 PF08402 C2_S129 - (0)12 - / 8 / 16 7
113SA107438 100% 0.661 PF00106 C1_S163 - (41)12 12 / 5 / 8 2
114SA108327 44% 0.583 PF01746 C5_S129 - (18)12 - / 21 / 4 5
115SA014720 36% 0.540 PF02719 C1_S177 - (68)12 4 / 6 / 5 5
116SA191446 76% 0.517 PF13793 C3_S159 - (46)12 - / 10 / 22 4
117SA073158 81% 0.631 PF03952 C1_S148 - (33)12 - / 3 / 33 6
118SA233325 42% 0.557 PF00368 C4_S121 - (12)12 - / 1 / - 1
119SA240220 37% 0.571 PF13193 C5_S168 - (40)12 - / 3 / 8 4
120SA046030 43% 0.592 PF01195 C3_S119 - (0)12 - / 1 / 8 4
121SA060238 35% 0.517 PF00005 C1_S138 - (0)12 - / 7 / 22 5
122SA130932 100% 0.575 PF02224 C1_S134 - (31)12 1 / 13 / 10 6
123SA225140 35% 0.597 PF00005 C1_S131 - (0)12 - / 12 / 12 5
124SA029746 38% 0.601 PF00005 C1_S141 - (0)12 - / 13 / 15 5
125SA220041 57% 0.626 PF08402 C1_S142 - (0)12 - / 9 / 22 5
126SA091632 100% 0.679 PF00731 C9_S138 - (28)12 - / 1 / 16 4
127SA052727 49% 0.611 PF01182 C4_S117 - (11)12 - / - / 13 7
128SA059965 52% 0.407 PF00005 C2_S159 - (59)12 - / 38 / 10 7
129SA047529 73% 0.482 PF01336 C5_S140 - (28)12 - / 7 / 5 5
130SA212925 34% 0.492 PF01263 C4_S148 - (39)12 - / - / 9 6
131SA101239 64% 0.700 PF02729 C5_S150 - (42)12 - / 8 / 17 5
132SA242740 64% 0.616 PF02729 C8_S146 - (36)12 - / 8 / 17 5
133SA091830 57% 0.475 PF01259 C4_S152 - (39)12 - / 18 / 9 6
134SA067744 46% 0.621 PF08402 C1_S128 - (0)12 - / 16 / 8 5
135SA025623 61% 0.611 PF00232 C3_S191 - (72)12 - / 2 / 8 6
136SA168353 100% 0.405 PF00005 C1_S164 - (58)11 - / 29 / 7 6
137SA225228 33% 0.554 PF09383 C1_S121 - (0)11 - / - / 15 5
138SA233748 48% 0.457 PF07670 C9_S165 - (0)11 5 / 28 / 10 7
139SA034736 39% 0.519 PF01053 C1_S123 - (17)11 - / 2 / 11 5
140SA112833 67% 0.521 PF00154 C2_S141 - (0)11 - / 16 / 8 5
141SA172833 59% 0.531 PF02540 C7_S161 - (54)11 - / 14 / 13 5
142SA085528 64% 0.571 PF00579 C5_S131 - (23)11 6 / 1 / 6 3
143SA134225 69% 0.497 PF03446 C1_S128 - (16)11 - / 3 / 9 5
144SA098529 93% 0.454 PF01409 C3_S120 - (13)11 2 / 6 / 6 9
145SA188757 100% 0.619 PF01820 C1_S181 - (57)11 - / 18 / 22 3
146SA011253 37% 0.445 PF00291 C2_S175 - (50)11 - / 4 / 40 4
147SA234633 38% 0.555 PF02826 C2_S153 - (37)11 2 / 9 / 9 4
148SA242029 39% 0.449 PF00245 C7_S118 - (5)11 - / - / 5 1
149SA154530 45% 0.585 PF02826 C2_S164 - (50)11 10 / 3 / 4 2
150SA041936 54% 0.571 PF01053 C1_S125 - (19)11 - / 2 / 11 5

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