SSPI - BACSU - GREMLIN Contacts

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SSPI - Small, acid-soluble spore protein I

UniProt:	P94537	Sequences: MDLNLRHAVIANVTGNNQEQLEHTIVDAIQSGEEKMLPGLGVLFEVIWQHASESEKNEMLKTLEGGLKPAE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	71 (68)
Sequences:	154 (96)
Seq/√Len:	11.6

GREMLIN Results:

Legend: The darker and larger the blue dots, the higher coevolution strength.

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
21_L	63_L	3.320	0.97
47_I	59_M	3.258	0.97
17_N	20_Q	2.805	0.93
3_L	7_H	1.894	0.69
10_I	67_L	1.868	0.68
60_L	64_E	1.858	0.67
16_N	47_I	1.768	0.63
53_E	56_K	1.755	0.63
46_V	67_L	1.742	0.62
47_I	63_L	1.722	0.61
22_E	56_K	1.715	0.61
5_L	25_I	1.569	0.54
24_T	28_A	1.536	0.52
21_L	60_L	1.530	0.52
24_T	35_K	1.396	0.45
16_N	63_L	1.392	0.45
5_L	9_V	1.305	0.41
43_L	47_I	1.304	0.41
46_V	50_H	1.281	0.40
44_F	47_I	1.257	0.39
43_L	59_M	1.243	0.38
21_L	59_M	1.220	0.37
54_S	57_N	1.213	0.37
55_E	61_K	1.209	0.37
57_N	61_K	1.192	0.36
60_L	63_L	1.140	0.33
44_F	59_M	1.136	0.33
21_L	64_E	1.122	0.33
9_V	46_V	1.082	0.31
26_V	30_Q	1.071	0.30
46_V	68_K	1.064	0.30
5_L	36_M	1.054	0.30
53_E	58_E	0.998	0.28
4_N	7_H	0.998	0.28
3_L	62_T	0.981	0.27
4_N	25_I	0.969	0.26
3_L	55_E	0.964	0.26
27_D	33_E	0.953	0.26
13_V	17_N	0.951	0.26
47_I	51_A	0.951	0.26
51_A	58_E	0.941	0.25
50_H	65_G	0.932	0.25
13_V	63_L	0.905	0.24
57_N	62_T	0.897	0.24
15_G	60_L	0.889	0.23
7_H	13_V	0.888	0.23
50_H	62_T	0.888	0.23
36_M	66_G	0.883	0.23
11_A	58_E	0.883	0.23
18_Q	54_S	0.859	0.22
28_A	64_E	0.852	0.22
53_E	65_G	0.836	0.22
11_A	23_H	0.825	0.21
52_S	61_K	0.812	0.21
22_E	53_E	0.808	0.21
46_V	66_G	0.804	0.21
3_L	19_E	0.799	0.20
4_N	22_E	0.785	0.20
56_K	68_K	0.773	0.20
5_L	31_S	0.772	0.20
12_N	33_E	0.765	0.19
4_N	35_K	0.762	0.19
1_M	36_M	0.760	0.19
13_V	62_T	0.749	0.19
30_Q	49_Q	0.743	0.19
50_H	57_N	0.743	0.19
13_V	53_E	0.729	0.18
3_L	11_A	0.725	0.18
19_E	57_N	0.724	0.18
9_V	54_S	0.723	0.18
12_N	35_K	0.716	0.18
11_A	26_V	0.716	0.18
1_M	12_N	0.705	0.18
26_V	52_S	0.692	0.17
21_L	47_I	0.685	0.17
5_L	44_F	0.677	0.17
23_H	52_S	0.661	0.16
61_K	65_G	0.656	0.16
16_N	28_A	0.655	0.16
51_A	57_N	0.648	0.16
23_H	66_G	0.648	0.16
10_I	23_H	0.646	0.16
15_G	32_G	0.640	0.16
49_Q	60_L	0.640	0.16
9_V	65_G	0.630	0.15
28_A	35_K	0.621	0.15
15_G	47_I	0.618	0.15
18_Q	57_N	0.618	0.15
16_N	49_Q	0.611	0.15
10_I	52_S	0.609	0.15
35_K	43_L	0.605	0.15
44_F	49_Q	0.604	0.15
5_L	13_V	0.587	0.14
52_S	55_E	0.561	0.14
16_N	24_T	0.561	0.14
15_G	46_V	0.559	0.14
62_T	68_K	0.557	0.14
31_S	65_G	0.554	0.14
10_I	14_T	0.546	0.13
2_D	7_H	0.533	0.13
33_E	36_M	0.503	0.12
17_N	49_Q	0.500	0.12

Legend: The i and j are positions as given in the UniProt sequence. Only predictions with Prob ≥ 0.7 are listed. For all 3L/2 predictions, click on one of the links below.

Sco = ((raw_sco - min_sco)/(avg_sco - min_sco))/2 + 0.5
Prob = P(contact | Sco, seq80/√len)
seq80 = effective number of sequences, after reducing redundancy to 80% identity

Text file of predictions (all 3L/2 predictions)
Generate restraints for ROSETTA Structure Modeling
Upload PDB model overlay contacts on the model

HHsearch Results:

Legend: GREMLIN results (Prob ≥ 0.7) overlaid on top PDB hits. The grey/red filled circles underneath are pdb residue contacts (min distance < 5 Angstroms). The shade of the circles is based on the top 10 (or top 20 if e-value < 1E-20) HHsearch results which uses the overall probability and per-site alignment prob. Inter oligomeric contacts in the pdb are in shades of red.

PDB	Chains	Cov	%	HHΔ
3a5iA	1	0.7746	32.3	0.898	Contact Map
3mydA	1	0.8451	29.2	0.9	Contact Map
3mixA	1	0.7606	23.6	0.905	Contact Map
4qjuA	2	0.9718	20.2	0.908	Contact Map
2x49A	1	0.8451	19.3	0.909	Contact Map
2iieA	1	0.9718	18.7	0.909	Contact Map
2x24A	2	0	18	0.91	Contact Map
4ogdA	2	0.8028	17.8	0.91	Contact Map
1mw7A	1	0.8873	16.9	0.911	Contact Map
1owfA	1	0.9577	16.7	0.911	Contact Map

Sequence Conservation (Image Generated using WebLogo v3)

Legend: Color is used to show Hydrophobicity (Blue: Hydrophilic, Green: Neutral and Black: Hydrophobic). Amount of gaps is represented by width.

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