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]
1spr021090 100% 0.56 PF05191 C3_S1160 - (148)14 54 / 29 / 3 2
2spr130513 100% 0.62 PF13472 C1_S111 - (0)1 - / - / 1 0
3spr102434 100% 0.52 PF03119 C7_S158 - (27)20 2 / 16 / 18 14
4spr055420 100% 0.64 PF01079 C5_S110 - (0)5 - / - / 4 1
5spr083116 100% 0.53 PF01183 C2_S115 - (0)7 - / 1 / 2 0
6spr147917 100% 0.63 PF00149 C4_S16 - (0)2 - / 1 / 1 1
7spr100420 100% 0.51 PF04607 2 - (0)1 - / - / - 0
8spr093417 100% 0.65 PF01497 C2_S149 - (0)6 3 / 2 / 2 2
9spr07332 100% 0.60 PF07745 11 - (0)? - / - / - 0
10spr117516 100% 0.55 PF00258 C1_S161 - (61)2 2 / - / - 1
11spr01796 100% 0.77 -11 - (0)2 - / - / - 0
12spr133518 100% 0.58 PF01408 C2_S143 - (37)2 4 / - / - 1
13spr084715 100% 0.55 PF00575 5 - (0)0 - / - / - 0
14spr014616 100% 0.56 PF00497 19 - (0)? - / - / - 0
15spr103674 100% 0.62 PF03952 C1_S158 - (46)15 - / 3 / 48 9
16spr111515 100% 0.52 PF00293 24 - (0)? - / - / - 0
17spr176018 100% 0.60 PF13302 C1_S148 - (0)3 6 / - / - 1
18spr024055 100% 0.65 PF01255 C8_S1131 - (44)20 10 / 13 / 24 14
19spr03346 100% 0.60 PF01063 9 - (9)? - / - / - 0
20spr181420 100% 0.68 PF00072 14 - (0)? - / - / - 0
21spr168220 100% 0.58 PF02127 15 - (0)1 - / - / - 0
22spr076820 100% 0.62 PF00233 C2_S110 - (5)3 - / - / 4 1
23spr17283 100% 0.45 PF04433 5 - (0)? - / - / - 0
24spr110710 100% 0.60 PF00072 C2_S197 - (0)3 - / - / 1 0
25spr189919 100% 0.58 PF01895 2 - (0)? - / - / - 0
26spr149420 100% 0.90 PF01297 C7_S110 - (0)2 - / - / 9 1
27spr13457 100% 0.44 -2 - (0)1 - / - / - 0
28spr033818 100% 0.58 PF00288 C1_S136 - (24)4 - / - / 4 1
29spr089130 100% 0.82 PF12804 C2_S178 - (49)12 - / - / 10 2
30spr002512 100% 0.57 PF01078 C1_S16 - (0)2 - / 2 / 3 1
31spr010120 100% 0.57 PF00497 C2_S144 - (0)2 - / - / 3 1
32spr162216 100% 0.63 PF02302 C4_S15 - (0)2 - / - / 2 0
33spr121728 100% 0.52 PF01641 12 - (1)7 - / - / - 0
34spr026668 100% 0.66 PF00809 C4_S185 - (31)20 - / 3 / 61 25
35spr016231 100% 0.56 PF00926 C4_S130 - (0)8 - / - / 19 3
36spr123219 100% 0.51 PF01264 C5_S13 - (0)2 - / - / 1 0
37spr075761 100% 0.54 PF00521 C6_S1111 - (0)10 - / 3 / 43 1
38spr008317 100% 0.60 -43 - (0)2 - / - / - 0
39spr166513 100% 0.49 PF06044 C5_S113 - (0)2 - / 4 / 2 0
40spr109972 100% 0.55 PF00521 C7_S1142 - (0)9 - / 6 / 52 0
41spr090620 100% 0.59 PF01297 9 - (3)? - / - / - 0
42spr034014 100% 0.61 PF00288 C2_S124 - (17)2 - / 2 / - 1
43spr157026 100% 0.60 PF00368 C3_S133 - (23)12 - / 4 / 4 2
44spr153630 100% 0.58 PF04650 C5_S161 - (27)15 - / 4 / 18 5
45spr089483 100% 0.61 PF01048 C1_S1112 - (64)20 - / 46 / 20 16
46spr02182 100% 0.62 PF00625 0 - (0)? - / - / - 0
47spr064017 100% 0.61 PF00127 2 - (0)? - / - / - 0
48spr173920 100% 0.47 PF01289 C7_S14 - (0)3 - / - / 2 1
49spr20236 100% 0.66 PF04085 2 - (0)0 - / - / - 0
50spr028622 100% 0.77 PF08124 C1_S133 - (0)9 1 / 1 / 11 4

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