THIS - BACSU - GREMLIN Contacts

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THIS - Sulfur carrier protein ThiS

UniProt:	O31617	Sequences: MLQLNGKDVKWKKDTGTIQDLLASYQLENKIVIVERNKEIIGKERYHEVELCDRDVIEIVHFVGGG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	66 (65)
Sequences:	121 (96)
Seq/√Len:	11.9

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
41_I	46_Y	5.381	1.00
12_K	24_S	4.606	1.00
53_D	57_I	2.869	0.94
52_C	57_I	2.457	0.88
31_I	46_Y	2.344	0.85
2_L	11_W	1.967	0.73
42_G	48_E	1.904	0.71
21_L	27_L	1.848	0.68
42_G	45_R	1.635	0.58
36_R	51_L	1.437	0.48
19_Q	30_K	1.422	0.48
4_L	54_R	1.395	0.46
14_D	48_E	1.368	0.45
33_I	59_I	1.363	0.45
30_K	48_E	1.342	0.44
10_K	20_D	1.340	0.44
7_K	32_V	1.310	0.42
4_L	30_K	1.274	0.40
8_D	48_E	1.266	0.40
23_A	28_E	1.252	0.39
7_K	18_I	1.190	0.36
30_K	59_I	1.184	0.36
37_N	55_D	1.171	0.36
23_A	47_H	1.102	0.32
14_D	45_R	1.059	0.31
44_E	47_H	1.039	0.30
7_K	31_I	1.033	0.30
29_N	60_V	0.986	0.28
33_I	43_K	0.981	0.27
16_G	54_R	0.970	0.27
26_Q	32_V	0.966	0.27
38_K	45_R	0.955	0.26
46_Y	60_V	0.936	0.26
38_K	56_V	0.926	0.25
38_K	60_V	0.898	0.24
9_V	57_I	0.880	0.24
33_I	57_I	0.876	0.23
22_L	30_K	0.865	0.23
16_G	26_Q	0.857	0.23
22_L	53_D	0.851	0.23
13_K	25_Y	0.839	0.22
30_K	61_H	0.833	0.22
25_Y	33_I	0.822	0.22
11_W	53_D	0.811	0.21
24_S	47_H	0.807	0.21
11_W	16_G	0.803	0.21
52_C	59_I	0.802	0.21
13_K	56_V	0.801	0.21
32_V	59_I	0.797	0.21
20_D	32_V	0.791	0.21
43_K	56_V	0.780	0.20
7_K	33_I	0.779	0.20
30_K	46_Y	0.778	0.20
19_Q	26_Q	0.773	0.20
25_Y	39_E	0.740	0.19
20_D	56_V	0.730	0.19
2_L	10_K	0.729	0.19
19_Q	44_E	0.727	0.18
3_Q	44_E	0.726	0.18
2_L	57_I	0.717	0.18
15_T	39_E	0.710	0.18
20_D	44_E	0.694	0.18
30_K	34_V	0.691	0.17
13_K	19_Q	0.687	0.17
7_K	25_Y	0.686	0.17
25_Y	34_V	0.685	0.17
11_W	29_N	0.673	0.17
34_V	43_K	0.672	0.17
27_L	42_G	0.670	0.17
38_K	43_K	0.664	0.17
3_Q	17_T	0.660	0.17
18_I	41_I	0.659	0.17
2_L	29_N	0.655	0.16
9_V	24_S	0.653	0.16
9_V	52_C	0.653	0.16
12_K	34_V	0.626	0.16
4_L	21_L	0.617	0.15
9_V	43_K	0.614	0.15
22_L	39_E	0.607	0.15
38_K	51_L	0.598	0.15
38_K	54_R	0.595	0.15
36_R	60_V	0.594	0.15
21_L	37_N	0.583	0.15
25_Y	61_H	0.578	0.14
12_K	18_I	0.563	0.14
14_D	49_V	0.562	0.14
18_I	56_V	0.558	0.14
34_V	57_I	0.540	0.13
3_Q	34_V	0.536	0.13
14_D	50_E	0.531	0.13
16_G	51_L	0.528	0.13
19_Q	39_E	0.526	0.13
4_L	32_V	0.517	0.13
31_I	47_H	0.513	0.13
3_Q	36_R	0.504	0.13
12_K	15_T	0.504	0.13
16_G	47_H	0.503	0.13
47_H	54_R	0.500	0.13

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
2lekA	1	0.9697	99.6	0.411	Contact Map
2k5pA	1	1	99.6	0.415	Contact Map
1tygB	1	0.9697	99.5	0.457	Contact Map
2cu3A	2	0.9697	99.4	0.49	Contact Map
1f0zA	1	0.9848	99.3	0.513	Contact Map
1ryjA	1	0.9242	98.9	0.592	Contact Map
2l32A	1	0.9091	98.8	0.604	Contact Map
4hrsA	2	0.8939	98.8	0.606	Contact Map
1rwsA	1	0.9242	98.7	0.618	Contact Map
2g1eA	1	0.9848	98.4	0.647	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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