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]
100SA155231 100% 0.526 PF04650 C4_S147 - (0)10 6 / - / 9 4
101SA155030 100% 0.795 PF00579 C3_S145 - (35)8 - / 9 / 10 4
102SA206316 100% 0.520 PF04055 C3_S162 - (6)3 - / 1 / 9 1
103SA145315 100% 0.631 PF02082 C3_S15 - (0)? - / - / 1 0
104SA206623 100% 0.560 PF02391 C3_S118 - (0)6 - / - / 8 1
105SA072728 100% 0.545 PF00044 C4_S115 - (9)2 5 / 3 / - 1
106SA032222 100% 0.537 PF01047 C2_S131 - (0)? - / 9 / 3 0
107SA220720 100% 0.390 PF07968 5 - (0)? - / - / - 0
108SA07517 100% 0.483 PF06855 3 - (0)? - / - / - 0
109SA115918 100% 0.722 PF00072 6 - (0)1 - / - / - 0
110SA102820 100% 0.578 PF02491 17 - (0)? - / - / - 0
111SA14239 100% 0.564 PF01985 5 - (0)? - / - / - 0
112SA205916 100% 0.525 PF00903 9 - (0)1 - / - / - 0
113SA067420 100% 0.556 PF00884 C3_S111 - (4)3 - / - / 3 1
114SA044120 100% 0.544 PF00543 C1_S128 - (0)2 - / 7 / - 1
115SA094241 100% 0.778 PF01327 C7_S149 - (15)16 - / 6 / 19 7
116SA18043 100% 0.759 PF00717 8 - (0)? - / - / - 0
117SA102949 100% 0.668 PF00091 C6_S158 - (0)10 1 / 31 / 12 5
118SA086932 100% 0.614 PF00106 C3_S148 - (30)6 15 / 1 / - 4
119SA168353 100% 0.405 PF00005 C1_S164 - (58)11 - / 29 / 7 6
120SA014820 100% 0.484 PF02719 C1_S161 - (58)7 16 / 1 / 2 2
121SA100720 100% 0.596 PF07968 54 - (0)1 - / - / - 0
122SA20979 100% 0.550 PF03738 12 - (0)? - / - / - 0
123SA187315 100% 0.646 PF02452 C2_S12 - (0)? 1 / - / - 0
124SA112511 100% 0.649 PF01381 18 - (0)? - / - / - 0
125SA011120 100% 0.606 PF01497 C1_S139 - (0)1 - / 1 / 1 1
126SA23948 100% 0.598 PF03306 9 - (0)4 - / - / - 0
127SA24570 100% 0.568 PF00584 5 - (0)? - / - / - 0
128SA145723 100% 0.566 PF03129 C2_S124 - (8)3 - / 1 / 7 2
129SA106332 100% 0.524 PF00069 C1_S177 - (22)17 - / 9 / 15 7
130SA20899 100% 0.633 PF03144 27 - (0)? - / - / - 0
131SA172420 100% 0.517 PF00206 C2_S115 - (7)4 - / 1 / 3 2
132SA107914 100% 0.657 PF04297 2 - (0)? - / - / - 0
133SA170111 100% 0.700 PF07730 C2_S122 - (20)1 - / 1 / - 1
134SA10038 100% 0.694 PF12199 0 - (0)? - / - / - 0
135SA099820 100% 0.601 PF01725 C3_S114 - (12)5 - / 6 / 5 2
136SA130932 100% 0.575 PF02224 C1_S134 - (31)12 1 / 13 / 10 6
137SA051626 100% 0.605 PF00383 C4_S144 - (11)6 2 / 3 / 5 1
138SA157220 100% 0.573 PF01546 C1_S110 - (1)? - / - / 1 0
139SA02217 100% 0.800 PF11546 0 - (0)? - / - / - 0
140SA22068 100% 0.600 PF02852 0 - (0)? - / - / - 0
141SA002315 100% 0.715 PF02590 C2_S112 - (0)? - / 1 / - 0
142SA125213 100% 0.644 PF00583 40 - (13)1 - / - / - 0
143SA026519 100% 0.645 PF01551 C6_S13 - (0)2 - / - / 2 1
144SA010811 100% 0.878 PF01047 3 - (0)? - / - / - 0
145SA233420 100% 0.508 PF08541 C4_S121 - (13)5 - / - / 3 3
146SA072321 100% 0.606 PF00574 59 - (0)1 - / - / - 0
147SA004016 100% 0.556 PF03965 C3_S116 - (0)2 - / - / 4 0
148SA126090 100% 0.650 PF00303 C5_S1130 - (85)20 - / 4 / 75 9
149SA059820 100% 0.480 PF00768 C3_S140 - (0)7 - / - / 2 1
150SA04569 100% 0.707 PF00056 8 - (0)2 - / - / - 0

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