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]
1spr162216 100% 0.63 PF02302 C4_S15 - (0)2 - / - / 2 0
2spr111515 100% 0.52 PF00293 24 - (0)? - / - / - 0
3spr123219 100% 0.51 PF01264 C5_S13 - (0)2 - / - / 1 0
4spr109972 100% 0.55 PF00521 C7_S1142 - (0)9 - / 6 / 52 0
5spr024055 100% 0.65 PF01255 C8_S1131 - (44)20 10 / 13 / 24 14
6spr099220 100% 0.58 PF00557 C4_S154 - (0)13 - / 1 / 13 1
7spr133518 100% 0.58 PF01408 C2_S143 - (37)2 4 / - / - 1
8spr117516 100% 0.55 PF00258 C1_S161 - (61)2 2 / - / - 1
9spr130513 100% 0.62 PF13472 C1_S111 - (0)1 - / - / 1 0
10spr021090 100% 0.56 PF05191 C3_S1160 - (148)14 54 / 29 / 3 2
11spr091832 100% 0.58 PF02774 C3_S166 - (0)9 13 / 11 / 2 3
12spr047617 100% 0.55 PF02390 13 - (0)? - / - / - 0
13spr033818 100% 0.58 PF00288 C1_S136 - (24)4 - / - / 4 1
14spr033619 100% 0.72 PF00486 12 - (0)? - / - / - 0
15spr04793 100% 0.67 PF07888 5 - (0)? - / - / - 0
16spr044015 100% 0.48 PF03256 5 - (0)1 - / - / - 0
17spr124320 100% 0.58 -C1_S139 - (0)7 - / - / 7 2
18spr090620 100% 0.59 PF01297 9 - (3)? - / - / - 0
19spr131041 100% 0.47 PF01327 C6_S1127 - (28)20 - / 6 / 26 14
20spr032812 100% 0.50 PF04650 26 - (0)0 - / - / - 0
21spr064017 100% 0.61 PF00127 2 - (0)? - / - / - 0
22spr166618 100% 0.49 PF03061 C1_S151 - (0)2 - / - / 13 1
23spr102434 100% 0.52 PF03119 C7_S158 - (27)20 2 / 16 / 18 14
24spr202115 100% 0.63 PF00877 8 - (0)1 - / - / - 0
25spr114716 100% 0.57 PF01636 C1_S134 - (11)4 - / - / 5 1
26spr175415 100% 0.59 PF01183 C2_S117 - (0)3 - / 2 / 2 2
27spr125718 100% 0.48 PF12849 C2_S18 - (0)? - / - / 1 0
28spr026668 100% 0.66 PF00809 C4_S185 - (31)20 - / 3 / 61 25
29spr143118 100% 0.49 PF01183 C2_S122 - (0)3 - / - / 2 1
30spr021717 100% 0.63 PF01842 11 - (0)? - / - / - 0
31spr062813 100% 0.60 PF03070 C1_S129 - (9)1 - / - / 2 1
32spr181420 100% 0.68 PF00072 14 - (0)? - / - / - 0
33spr01796 100% 0.77 -11 - (0)2 - / - / - 0
34spr157026 100% 0.60 PF00368 C3_S133 - (23)12 - / 4 / 4 2
35spr20430 100% 0.68 PF01193 0 - (0)? - / - / - 0
36spr076820 100% 0.62 PF00233 C2_S110 - (5)3 - / - / 4 1
37spr149420 100% 0.90 PF01297 C7_S110 - (0)2 - / - / 9 1
38spr030419 100% ? PF00905 C1_S122 - (0)9 - / 1 / 8 3
39spr197120 100% 0.68 PF05025 13 - (0)? - / - / - 0
40spr176018 100% 0.60 PF13302 C1_S148 - (0)3 6 / - / - 1
41spr197813 100% 0.64 PF01047 19 - (0)? - / - / - 0
42spr110710 100% 0.60 PF00072 C2_S197 - (0)3 - / - / 1 0
43spr082019 100% 0.55 PF03435 C3_S119 - (11)2 3 / - / - 1
44spr114417 100% 0.58 PF03641 5 - (0)? - / - / - 0
45spr089130 100% 0.82 PF12804 C2_S178 - (49)12 - / - / 10 2
46spr100420 100% 0.51 PF04607 2 - (0)1 - / - / - 0
47spr089483 100% 0.61 PF01048 C1_S1112 - (64)20 - / 46 / 20 16
48spr17283 100% 0.45 PF04433 5 - (0)? - / - / - 0
49spr028622 100% 0.77 PF08124 C1_S133 - (0)9 1 / 1 / 11 4
50spr090710 100% 0.76 -0 - (0)? - / - / - 0

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