TDXH - SULSO - GREMLIN Contacts

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TDXH - Peroxiredoxin

UniProt:	P95895	Sequences: MSEERIPLIGERFPEMEVITTQGRIKLPDDYKGRWFVLFSHPGDFTPVCTTEFYSFAKKYEEFKKLNTELIGLSVDSNISHIEWIMWIEKNLKVEIPFPIIADPMGNVAKRLGMIHAQSSTATVRAVFVVDDKGVVRLILYYPMEIGRNIDEILRAIRALQLVDKAGVVTPANWPNNELIGDKVINPAPRTIKDAKMRLGQPFDWWFTYKEVKTT	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	215 (180)
Sequences:	3859 (1759)
Seq/√Len:	131.1

ECOLI - AHPC BCP
BACSU - AHPC YKUU BCP
HALSA - Q9HP28 Q9HN00 Q9HQE6
SULSO - TDXH Q97VL0 Q97WG5

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
66_L	158_R	3.712	1.00
68_T	157_I	3.451	1.00
137_R	143_P	3.211	1.00
31_Y	36_F	3.089	1.00
34_R	69_E	2.951	1.00
17_E	24_R	2.877	1.00
131_D	137_R	2.788	1.00
17_E	26_K	2.664	1.00
62_E	65_K	2.617	1.00
13_F	112_L	2.536	1.00
60_Y	64_K	2.471	1.00
19_I	24_R	2.463	1.00
64_K	69_E	2.446	1.00
45_F	83_E	2.428	1.00
18_V	101_I	2.286	1.00
59_K	151_D	2.278	1.00
72_G	100_I	2.264	1.00
158_R	176_N	2.258	1.00
61_E	65_K	2.167	1.00
137_R	164_D	2.164	1.00
138_L	156_A	2.053	1.00
57_A	97_P	1.943	1.00
12_R	135_V	1.886	1.00
107_N	111_R	1.882	1.00
18_V	108_V	1.849	1.00
175_P	178_E	1.818	1.00
146_I	159_A	1.804	1.00
59_K	62_E	1.778	1.00
53_F	98_F	1.721	1.00
35_W	132_D	1.676	1.00
19_I	78_N	1.670	1.00
116_H	124_V	1.667	1.00
133_K	164_D	1.653	1.00
89_E	95_E	1.630	1.00
44_D	81_H	1.609	1.00
61_E	64_K	1.608	1.00
7_P	136_V	1.602	1.00
15_E	26_K	1.583	1.00
55_S	173_N	1.553	1.00
106_G	115_I	1.536	1.00
26_K	29_D	1.509	1.00
36_F	71_I	1.482	1.00
29_D	32_K	1.470	1.00
126_A	141_Y	1.467	1.00
75_V	109_A	1.444	1.00
63_F	154_L	1.433	1.00
122_A	144_M	1.413	1.00
56_F	70_L	1.402	1.00
75_V	104_P	1.377	1.00
83_E	86_M	1.329	1.00
20_T	101_I	1.288	1.00
114_M	128_F	1.285	1.00
151_D	175_P	1.273	1.00
110_K	117_A	1.264	1.00
109_A	115_I	1.256	1.00
127_V	153_I	1.217	1.00
13_F	136_V	1.211	1.00
146_I	160_L	1.207	0.99
55_S	172_A	1.207	0.99
54_Y	92_L	1.200	0.99
55_S	58_K	1.192	0.99
60_Y	97_P	1.187	0.99
129_V	138_L	1.185	0.99
116_H	119_S	1.169	0.99
106_G	110_K	1.168	0.99
129_V	157_I	1.158	0.99
136_V	139_I	1.155	0.99
188_A	191_T	1.137	0.99
140_L	156_A	1.136	0.99
37_V	153_I	1.132	0.99
152_E	155_R	1.104	0.99
37_V	157_I	1.089	0.99
88_I	91_N	1.087	0.99
37_V	129_V	1.085	0.99
56_F	153_I	1.065	0.99
22_Q	99_P	1.055	0.99
25_I	71_I	1.053	0.99
15_E	29_D	1.051	0.99
75_V	123_T	1.031	0.98
30_D	33_G	1.027	0.98
67_N	161_Q	1.022	0.98
131_D	164_D	1.001	0.98
8_L	113_G	1.000	0.98
56_F	150_I	0.996	0.98
82_I	86_M	0.994	0.98
66_L	157_I	0.974	0.98
108_V	112_L	0.971	0.98
168_V	184_V	0.962	0.97
35_W	161_Q	0.962	0.97
66_L	154_L	0.957	0.97
61_E	97_P	0.953	0.97
77_S	104_P	0.949	0.97
60_Y	98_F	0.947	0.97
124_V	144_M	0.946	0.97
7_P	11_E	0.941	0.97
8_L	11_E	0.939	0.97
38_L	101_I	0.937	0.97
36_F	69_E	0.932	0.97
78_N	102_A	0.926	0.97
149_N	153_I	0.914	0.97
16_M	112_L	0.913	0.97
161_Q	165_K	0.907	0.96
124_V	142_Y	0.902	0.96
31_Y	71_I	0.896	0.96
127_V	140_L	0.895	0.96
186_N	192_I	0.895	0.96
63_F	70_L	0.892	0.96
37_V	127_V	0.889	0.96
50_T	88_I	0.885	0.96
129_V	140_L	0.878	0.96
41_H	44_D	0.872	0.95
54_Y	58_K	0.872	0.95
14_P	111_R	0.868	0.95
85_I	100_I	0.857	0.95
110_K	115_I	0.854	0.95
62_E	158_R	0.850	0.95
21_T	85_I	0.839	0.94
77_S	80_S	0.832	0.94
162_L	168_V	0.831	0.94
40_S	73_L	0.827	0.94
60_Y	70_L	0.827	0.94
62_E	154_L	0.826	0.94
11_E	118_Q	0.825	0.94
10_G	124_V	0.824	0.94
62_E	66_L	0.821	0.94
13_F	108_V	0.818	0.94
140_L	153_I	0.817	0.94
59_K	150_I	0.817	0.94
59_K	63_F	0.815	0.94
41_H	72_G	0.809	0.93
73_L	101_I	0.807	0.93
64_K	97_P	0.805	0.93
163_V	168_V	0.803	0.93
57_A	60_Y	0.802	0.93
116_H	144_M	0.800	0.93
55_S	59_K	0.800	0.93
37_V	68_T	0.796	0.93
86_M	89_E	0.796	0.93
127_V	173_N	0.793	0.93
39_F	72_G	0.784	0.92
32_K	134_G	0.782	0.92
31_Y	38_L	0.780	0.92
158_R	175_P	0.774	0.92
21_T	78_N	0.774	0.92
162_L	184_V	0.770	0.92
146_I	170_T	0.768	0.91
38_L	130_V	0.767	0.91
72_G	96_I	0.765	0.91
48_V	185_I	0.764	0.91
12_R	136_V	0.761	0.91
78_N	104_P	0.760	0.91
133_K	137_R	0.757	0.91
138_L	142_Y	0.756	0.91
146_I	156_A	0.747	0.90
25_I	31_Y	0.746	0.90
43_G	77_S	0.738	0.90
112_L	130_V	0.737	0.90
38_L	112_L	0.733	0.89
13_F	16_M	0.732	0.89
149_N	173_N	0.731	0.89
189_P	192_I	0.730	0.89
20_T	23_G	0.730	0.89
59_K	154_L	0.727	0.89
89_E	94_V	0.727	0.89
79_I	83_E	0.724	0.89
36_F	130_V	0.721	0.89
132_D	157_I	0.720	0.89
12_R	32_K	0.719	0.88
107_N	110_K	0.706	0.88
60_Y	69_E	0.703	0.87
9_I	124_V	0.698	0.87
47_P	50_T	0.693	0.87
85_I	95_E	0.689	0.86
27_L	30_D	0.688	0.86
43_G	76_D	0.687	0.86
154_L	158_R	0.682	0.86
9_I	136_V	0.678	0.85
129_V	153_I	0.675	0.85
54_Y	57_A	0.673	0.85
43_G	122_A	0.673	0.85
49_C	125_R	0.669	0.85
109_A	123_T	0.665	0.84
162_L	166_A	0.661	0.84
36_F	134_G	0.657	0.84
131_D	135_V	0.655	0.83
82_I	85_I	0.654	0.83
26_K	30_D	0.652	0.83
19_I	102_A	0.648	0.83
30_D	36_F	0.647	0.83
53_F	72_G	0.641	0.82
126_A	139_I	0.637	0.82
116_H	120_S	0.632	0.81
56_F	98_F	0.631	0.81
119_S	144_M	0.630	0.81
43_G	79_I	0.630	0.81
77_S	83_E	0.629	0.81
119_S	122_A	0.626	0.81
117_A	120_S	0.625	0.80
77_S	122_A	0.619	0.80
185_I	191_T	0.611	0.79
48_V	147_G	0.607	0.78
159_A	170_T	0.606	0.78
145_E	163_V	0.606	0.78
169_V	187_P	0.604	0.78
9_I	138_L	0.604	0.78
167_G	187_P	0.604	0.78
10_G	116_H	0.602	0.78
40_S	114_M	0.594	0.77
105_M	110_K	0.593	0.77
59_K	173_N	0.592	0.77
146_I	163_V	0.589	0.76
43_G	80_S	0.588	0.76
142_Y	156_A	0.587	0.76
56_F	63_F	0.586	0.76
165_K	176_N	0.585	0.76
148_R	155_R	0.582	0.76
162_L	165_K	0.580	0.75
11_E	117_A	0.578	0.75
21_T	82_I	0.574	0.75
127_V	150_I	0.569	0.74
55_S	151_D	0.566	0.74
67_N	91_N	0.565	0.73
85_I	89_E	0.564	0.73
16_M	27_L	0.564	0.73
13_F	27_L	0.563	0.73
43_G	78_N	0.562	0.73
35_W	160_L	0.561	0.73
187_P	190_R	0.561	0.73
110_K	118_Q	0.560	0.73
158_R	177_N	0.559	0.73
25_I	101_I	0.557	0.72
65_K	176_N	0.557	0.72
127_V	156_A	0.556	0.72
66_L	161_Q	0.551	0.72
32_K	133_K	0.546	0.71
55_S	150_I	0.545	0.71
18_V	25_I	0.541	0.70
186_N	191_T	0.541	0.70
113_G	126_A	0.540	0.70
43_G	104_P	0.539	0.70
120_S	144_M	0.539	0.70
185_I	192_I	0.538	0.70
82_I	192_I	0.538	0.70
27_L	36_F	0.535	0.69
157_I	161_Q	0.534	0.69
20_T	25_I	0.533	0.69
75_V	119_S	0.532	0.69
16_M	130_V	0.531	0.69
16_M	108_V	0.531	0.69
33_G	134_G	0.529	0.69
75_V	106_G	0.529	0.69
132_D	164_D	0.527	0.68
80_S	100_I	0.524	0.68
35_W	164_D	0.519	0.67
58_K	89_E	0.518	0.67
149_N	172_A	0.518	0.67
127_V	138_L	0.512	0.66
57_A	85_I	0.511	0.66
57_A	96_I	0.511	0.66
85_I	93_K	0.510	0.66
25_I	30_D	0.509	0.66
59_K	149_N	0.508	0.65
168_V	186_N	0.508	0.65
147_G	177_N	0.506	0.65
184_V	187_P	0.505	0.65
31_Y	134_G	0.503	0.65
37_V	56_F	0.502	0.65
38_L	73_L	0.502	0.65
12_R	133_K	0.501	0.64
149_N	152_E	0.500	0.64

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
3a2vA	5	0.9721	100	0.317	Contact Map
2v2gA	2	0.9581	100	0.326	Contact Map
1prxA	2	0.9581	100	0.326	Contact Map
1xccA	2	0.9442	100	0.326	Contact Map
3w6gA	6	0.9349	100	0.331	Contact Map
3tjjA	3	0.7535	100	0.542	Contact Map
2c0dA	2	0.7814	100	0.564	Contact Map
3sbcA	3	0.8884	100	0.566	Contact Map
4rqxA	3	0.7488	100	0.566	Contact Map
2pn8A	4	0.8651	100	0.569	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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