Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000586 (2017 - Streptococcus pneumoniae - STRR6: Streptococcus pneumoniae (strain ATCC BAA-255 / R6))

Download : Data.csv | 3D Common Core | 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]
1spr106010 98% 0.71 -2 - (0)? - / - / - 0
2spr10780 18% 0.50 -0 - (0)? - / - / - 0
3spr109818 100% 0.48 -4 - (0)? - / - / - 0
4spr11840 50% ? -0 - (0)? - / - / - 0
5spr124320 100% 0.58 -C1_S139 - (0)7 - / - / 7 2
6spr13457 100% 0.44 -2 - (0)1 - / - / - 0
7spr141812 98% 0.65 -2 - (0)1 - / - / - 0
8spr17302 32% 0.35 -1 - (0)? - / - / - 0
9spr17550 26% 0.07 -0 - (0)? - / - / - 0
10spr17721 21% 0.17 -0 - (0)? - / - / - 0
11spr01796 100% 0.77 -11 - (0)2 - / - / - 0
12spr19140 31% 0.65 -0 - (0)? - / - / - 0
13spr196520 99% 0.65 -C2_S129 - (0)4 - / - / 2 1
14spr03421 18% 0.45 -2 - (0)? - / - / - 0
15spr037014 78% 0.57 -9 - (0)2 - / - / - 0
16spr008317 100% 0.60 -43 - (0)2 - / - / - 0
17spr00878 16% 0.25 -7 - (0)? - / - / - 0
18spr090710 100% 0.76 -0 - (0)? - / - / - 0
19spr09107 71% 0.73 -0 - (0)? - / - / - 0
20spr09830 27% 0.38 PF00001 0 - (0)? - / - / - 0
21spr15480 35% 0.45 PF00001 0 - (0)? - / - / - 0
22spr15120 43% 0.24 PF00001 11 - (0)? - / - / - 0
23spr15600 16% 0.29 PF00004 0 - (0)? - / - / - 0
24spr102120 35% 0.44 PF00005 C1_S17 - (0)2 - / - / 2 0
25spr17356 21% 0.08 PF00005 4 - (0)? - / - / - 0
26spr203519 28% 0.49 PF00005 8 - (0)? - / - / - 0
27spr045920 56% 0.56 PF00005 11 - (0)1 - / - / - 0
28spr154613 31% 0.49 PF00005 C2_S111 - (0)2 - / - / 2 0
29spr17611 63% 0.91 PF00005 29 - (0)1 - / - / - 0
30spr138115 35% ? PF00005 6 - (0)1 - / - / - 0
31spr067820 31% 0.50 PF00005 C2_S110 - (0)1 - / - / 1 0
32spr181720 34% 0.49 PF00005 C1_S118 - (0)9 - / 2 / 4 0
33spr156220 33% 0.57 PF00005 C1_S119 - (0)7 - / 5 / 1 0
34spr141220 35% 0.43 PF00005 C1_S112 - (0)4 - / 1 / 3 0
35spr055719 42% 0.44 PF00005 C1_S111 - (0)2 - / 1 / 2 1
36spr12908 28% ? PF00005 7 - (0)? - / - / - 0
37spr013717 28% 0.36 PF00005 6 - (0)? - / - / - 0
38spr12035 21% 0.42 PF00005 6 - (0)? - / - / - 0
39spr177015 29% ? PF00005 C2_S16 - (0)1 - / - / 1 0
40spr116115 32% 0.40 PF00005 6 - (0)? - / - / - 0
41spr05584 40% 0.34 PF00005 0 - (0)? - / - / - 0
42spr20375 28% 0.32 PF00005 0 - (0)? - / - / - 0
43spr017110 68% 0.49 PF00005 4 - (0)1 - / - / - 0
44spr07660 41% 0.48 PF00005 2 - (0)? - / - / - 0
45spr12012 33% 0.30 PF00005 0 - (0)? - / - / - 0
46spr18164 30% 0.25 PF00005 1 - (0)? - / - / - 0
47spr20360 26% ? PF00005 2 - (0)? - / - / - 0
48spr063219 34% 0.47 PF00005 C2_S119 - (0)6 - / - / 5 0
49spr123821 34% 0.48 PF00005 C1_S119 - (0)3 - / 1 / 1 0
50spr119117 36% 0.33 PF00005 8 - (0)1 - / - / - 0

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