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]
1spr168220 100% 0.58 PF02127 15 - (0)1 - / - / - 0
2spr034014 100% 0.61 PF00288 C2_S124 - (17)2 - / 2 / - 1
3spr153630 100% 0.58 PF04650 C5_S161 - (27)15 - / 4 / 18 5
4spr091832 100% 0.58 PF02774 C3_S166 - (0)9 13 / 11 / 2 3
5spr062813 100% 0.60 PF03070 C1_S129 - (9)1 - / - / 2 1
6spr169313 100% 0.61 PF00571 47 - (43)0 - / - / - 0
7spr082019 100% 0.55 PF03435 C3_S119 - (11)2 3 / - / - 1
8spr124320 100% 0.58 -C1_S139 - (0)7 - / - / 7 2
9spr028622 100% 0.77 PF08124 C1_S133 - (0)9 1 / 1 / 11 4
10spr143282 100% 0.58 PF00121 C6_S180 - (58)20 - / - / 47 10
11spr030419 100% ? PF00905 C1_S122 - (0)9 - / 1 / 8 3
12spr109972 100% 0.55 PF00521 C7_S1142 - (0)9 - / 6 / 52 0
13spr147917 100% 0.63 PF00149 C4_S16 - (0)2 - / 1 / 1 1
14spr102434 100% 0.52 PF03119 C7_S158 - (27)20 2 / 16 / 18 14
15spr189919 100% 0.58 PF01895 2 - (0)? - / - / - 0
16spr100420 100% 0.51 PF04607 2 - (0)1 - / - / - 0
17spr083116 100% 0.53 PF01183 C2_S115 - (0)7 - / 1 / 2 0
18spr093417 100% 0.65 PF01497 C2_S149 - (0)6 3 / 2 / 2 2
19spr075761 100% 0.54 PF00521 C6_S1111 - (0)10 - / 3 / 43 1
20spr133518 100% 0.58 PF01408 C2_S143 - (37)2 4 / - / - 1
21spr131041 100% 0.47 PF01327 C6_S1127 - (28)20 - / 6 / 26 14
22spr01796 100% 0.77 -11 - (0)2 - / - / - 0
23spr197221 100% 0.52 PF00596 C2_S123 - (23)4 - / - / 3 2
24spr090620 100% 0.59 PF01297 9 - (3)? - / - / - 0
25spr076820 100% 0.62 PF00233 C2_S110 - (5)3 - / - / 4 1
26spr069013 100% 0.61 PF03830 C2_S118 - (0)5 2 / - / 6 3
27spr07332 100% 0.60 PF07745 11 - (0)? - / - / - 0
28spr13457 100% 0.44 -2 - (0)1 - / - / - 0
29spr014616 100% 0.56 PF00497 19 - (0)? - / - / - 0
30spr109818 100% 0.48 -4 - (0)? - / - / - 0
31spr03346 100% 0.60 PF01063 9 - (9)? - / - / - 0
32spr033818 100% 0.58 PF00288 C1_S136 - (24)4 - / - / 4 1
33spr021090 100% 0.56 PF05191 C3_S1160 - (148)14 54 / 29 / 3 2
34spr056516 100% 0.47 PF02837 C1_S112 - (0)3 - / - / 3 1
35spr010120 100% 0.57 PF00497 C2_S144 - (0)2 - / - / 3 1
36spr123219 100% 0.51 PF01264 C5_S13 - (0)2 - / - / 1 0
37spr033619 100% 0.72 PF00486 12 - (0)? - / - / - 0
38spr17283 100% 0.45 PF04433 5 - (0)? - / - / - 0
39spr032812 100% 0.50 PF04650 26 - (0)0 - / - / - 0
40spr055420 100% 0.64 PF01079 C5_S110 - (0)5 - / - / 4 1
41spr044161 100% 0.64 PF00162 C6_S192 - (82)20 - / 26 / 23 9
42spr117516 100% 0.55 PF00258 C1_S161 - (61)2 2 / - / - 1
43spr130513 100% 0.62 PF13472 C1_S111 - (0)1 - / - / 1 0
44spr075643 100% 0.45 PF01751 C4_S1103 - (0)4 - / 4 / 27 1
45spr166618 100% 0.49 PF03061 C1_S151 - (0)2 - / - / 13 1
46spr021119 100% 0.64 PF01176 1 - (0)1 - / - / - 0
47spr20074 100% 0.65 PF01423 10 - (0)? - / - / - 0
48spr175415 100% 0.59 PF01183 C2_S117 - (0)3 - / 2 / 2 2
49spr089483 100% 0.61 PF01048 C1_S1112 - (64)20 - / 46 / 20 16
50spr033720 100% 0.56 PF01183 C3_S111 - (0)3 - / - / 3 1

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