GCH1 - SULSO - GREMLIN Contacts

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GCH1 - GTP cyclohydrolase 1

UniProt:	Q980E8	Sequences: MQKTELDDQKLVEEIARRIREILELLGENPEREGLKETPERVAKALLEMTSGLRTPPPQIKVFNLGDDGEVYEKNQIVLIKDVNFSSLCEHHMLPIIGKIHVAYIVSNSGKVAGFSKIIRIVNYYSSRLQIQERLVEQIADAIMNSEIKPKGVMVIGNAIHMCSYVRGVKDKEAKLVSVAYRGLFKTNRALQNHVFRLLDNANKVNLL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	208 (182)
Sequences:	2958 (1394)
Seq/√Len:	103.3

ECOLI - GCH1
BACSU - GCH1
SULSO - GCH1

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
16_A	40_E	3.336	1.00
102_V	118_I	3.109	1.00
40_E	44_K	2.979	1.00
12_V	47_L	2.548	1.00
15_I	22_I	2.541	1.00
18_R	21_E	2.534	1.00
53_L	129_L	2.416	1.00
103_A	154_M	2.321	1.00
37_E	40_E	2.239	1.00
85_F	159_A	2.127	1.00
20_R	31_E	2.126	1.00
141_D	182_R	2.076	1.00
107_S	151_K	2.043	1.00
14_E	21_E	2.005	1.00
14_E	24_E	1.968	1.00
49_M	94_L	1.932	1.00
46_L	50_T	1.919	1.00
58_P	146_S	1.905	1.00
100_I	157_G	1.879	1.00
103_A	195_V	1.828	1.00
56_P	59_Q	1.798	1.00
154_M	181_Y	1.786	1.00
28_E	32_R	1.766	1.00
18_R	25_L	1.753	1.00
19_I	42_V	1.734	1.00
125_Y	138_Q	1.727	1.00
77_I	185_F	1.696	1.00
60_I	124_Y	1.668	1.00
75_N	186_K	1.667	1.00
13_E	16_A	1.634	1.00
67_D	111_K	1.608	1.00
190_A	193_N	1.555	1.00
21_E	24_E	1.553	1.00
93_M	129_L	1.518	1.00
140_A	182_R	1.508	1.00
128_R	138_Q	1.508	1.00
99_K	158_N	1.502	1.00
86_S	162_M	1.499	1.00
77_I	195_V	1.496	1.00
101_H	158_N	1.494	1.00
17_R	21_E	1.482	1.00
86_S	166_V	1.476	1.00
84_N	173_E	1.461	1.00
50_T	129_L	1.452	1.00
160_I	165_Y	1.406	1.00
151_K	184_L	1.402	1.00
193_N	197_R	1.402	1.00
85_F	122_V	1.399	1.00
50_T	88_L	1.399	1.00
184_L	188_N	1.395	1.00
158_N	175_K	1.355	0.99
33_E	67_D	1.354	0.99
156_I	199_L	1.341	0.99
189_R	193_N	1.335	0.99
154_M	195_V	1.334	0.99
144_M	182_R	1.321	0.99
105_I	184_L	1.320	0.99
51_S	55_T	1.310	0.99
143_I	148_I	1.303	0.99
102_V	122_V	1.297	0.99
123_N	171_D	1.277	0.99
11_L	14_E	1.265	0.99
55_T	124_Y	1.259	0.99
156_I	195_V	1.247	0.99
45_A	49_M	1.245	0.99
48_E	170_K	1.236	0.99
52_G	128_R	1.213	0.99
156_I	179_V	1.206	0.99
15_I	43_A	1.201	0.99
125_Y	142_A	1.200	0.99
23_L	93_M	1.196	0.99
107_S	110_G	1.195	0.99
140_A	180_A	1.185	0.99
162_M	166_V	1.176	0.98
21_E	25_L	1.152	0.98
77_I	103_A	1.149	0.98
125_Y	135_L	1.143	0.98
37_E	63_F	1.141	0.98
107_S	149_K	1.130	0.98
82_D	99_K	1.124	0.98
197_R	200_D	1.123	0.98
80_I	174_A	1.117	0.98
23_L	28_E	1.116	0.98
112_V	131_I	1.108	0.98
61_K	113_A	1.105	0.98
85_F	157_G	1.092	0.98
122_V	139_I	1.077	0.97
100_I	139_I	1.075	0.97
121_I	143_I	1.074	0.97
13_E	17_R	1.069	0.97
136_V	178_S	1.065	0.97
160_I	173_E	1.061	0.97
97_I	162_M	1.052	0.97
115_F	176_L	1.047	0.97
22_I	46_L	1.044	0.97
28_E	34_G	1.044	0.97
113_A	118_I	1.039	0.97
117_K	120_R	1.030	0.96
179_V	191_L	1.017	0.96
131_I	134_R	1.005	0.96
141_D	146_S	1.005	0.96
57_P	124_Y	1.004	0.96
20_R	30_P	1.003	0.96
181_Y	192_Q	1.000	0.96
55_T	60_I	0.965	0.95
79_L	103_A	0.960	0.95
19_I	22_I	0.950	0.95
100_I	122_V	0.949	0.94
51_S	127_S	0.947	0.94
11_L	25_L	0.937	0.94
80_I	176_L	0.924	0.94
88_L	94_L	0.919	0.93
58_P	147_E	0.913	0.93
60_I	121_I	0.908	0.93
140_A	153_V	0.907	0.93
77_I	191_L	0.906	0.93
12_V	16_A	0.901	0.93
140_A	155_V	0.899	0.93
137_E	141_D	0.894	0.93
20_R	24_E	0.885	0.92
160_I	175_K	0.880	0.92
86_S	97_I	0.879	0.92
185_F	195_V	0.878	0.92
135_L	139_I	0.876	0.92
113_A	154_M	0.873	0.92
31_E	36_K	0.871	0.92
84_N	99_K	0.870	0.91
32_R	35_L	0.870	0.91
42_V	46_L	0.870	0.91
144_M	153_V	0.868	0.91
42_V	93_M	0.866	0.91
12_V	44_K	0.863	0.91
101_H	156_I	0.861	0.91
195_V	199_L	0.847	0.90
85_F	135_L	0.842	0.90
94_L	166_V	0.841	0.90
28_E	35_L	0.839	0.90
19_I	46_L	0.839	0.90
72_Y	134_R	0.838	0.90
18_R	22_I	0.837	0.90
116_S	120_R	0.830	0.89
191_L	194_H	0.827	0.89
81_K	177_V	0.822	0.89
113_A	148_I	0.815	0.89
126_S	135_L	0.808	0.88
111_K	149_K	0.803	0.88
14_E	25_L	0.803	0.88
142_A	146_S	0.790	0.87
113_A	121_I	0.789	0.87
80_I	115_F	0.787	0.87
165_Y	172_K	0.784	0.87
123_N	127_S	0.784	0.87
26_L	46_L	0.783	0.87
141_D	180_A	0.776	0.86
34_G	90_E	0.775	0.86
136_V	157_G	0.774	0.86
90_E	134_R	0.765	0.85
30_P	35_L	0.765	0.85
96_I	162_M	0.761	0.85
80_I	118_I	0.760	0.85
49_M	88_L	0.756	0.85
184_L	187_T	0.747	0.84
74_K	134_R	0.745	0.84
188_N	191_L	0.743	0.84
14_E	18_R	0.740	0.83
12_V	40_E	0.738	0.83
65_L	111_K	0.734	0.83
46_L	49_M	0.732	0.83
15_I	19_I	0.729	0.82
116_S	169_V	0.725	0.82
119_I	164_S	0.725	0.82
181_Y	196_F	0.717	0.81
121_I	142_A	0.714	0.81
97_I	160_I	0.713	0.81
76_Q	186_K	0.712	0.81
162_M	165_Y	0.711	0.81
57_P	61_K	0.708	0.81
144_M	150_P	0.705	0.80
118_I	143_I	0.703	0.80
19_I	93_M	0.700	0.80
49_M	166_V	0.700	0.80
113_A	119_I	0.698	0.80
164_S	176_L	0.696	0.79
179_V	194_H	0.693	0.79
135_L	157_G	0.692	0.79
79_L	198_L	0.689	0.79
141_D	144_M	0.689	0.79
84_N	160_I	0.688	0.79
75_N	151_K	0.687	0.78
101_H	199_L	0.686	0.78
61_K	121_I	0.685	0.78
88_L	166_V	0.684	0.78
181_Y	186_K	0.682	0.78
76_Q	180_A	0.675	0.77
91_H	133_E	0.673	0.77
133_E	163_C	0.670	0.77
119_I	171_D	0.668	0.77
181_Y	191_L	0.667	0.76
85_F	97_I	0.665	0.76
154_M	179_V	0.656	0.75
97_I	165_Y	0.653	0.75
105_I	151_K	0.652	0.75
98_G	159_A	0.649	0.74
92_H	133_E	0.647	0.74
181_Y	185_F	0.644	0.74
53_L	125_Y	0.638	0.73
86_S	127_S	0.636	0.73
132_Q	163_C	0.635	0.73
181_Y	194_H	0.633	0.73
179_V	186_K	0.630	0.72
88_L	96_I	0.627	0.72
146_S	149_K	0.621	0.71
80_I	106_V	0.618	0.71
117_K	169_V	0.615	0.70
144_M	147_E	0.614	0.70
67_D	73_E	0.610	0.70
53_L	93_M	0.610	0.70
58_P	62_V	0.609	0.70
144_M	149_K	0.606	0.69
19_I	23_L	0.605	0.69
100_I	118_I	0.605	0.69
127_S	170_K	0.604	0.69
137_E	180_A	0.599	0.68
115_F	120_R	0.597	0.68
84_N	172_K	0.593	0.68
124_Y	142_A	0.593	0.68
76_Q	179_V	0.593	0.68
32_R	90_E	0.591	0.67
142_A	147_E	0.590	0.67
91_H	163_C	0.590	0.67
99_K	175_K	0.585	0.67
167_R	176_L	0.584	0.67
47_L	54_R	0.582	0.66
72_Y	131_I	0.582	0.66
92_H	163_C	0.581	0.66
15_I	25_L	0.580	0.66
131_I	176_L	0.579	0.66
16_A	20_R	0.571	0.65
77_I	105_I	0.571	0.65
115_F	161_H	0.570	0.65
156_I	198_L	0.569	0.65
89_C	92_H	0.563	0.64
57_P	113_A	0.559	0.63
175_K	189_R	0.559	0.63
57_P	65_L	0.557	0.63
59_Q	62_V	0.555	0.63
15_I	46_L	0.554	0.62
30_P	34_G	0.553	0.62
98_G	122_V	0.548	0.62
168_G	176_L	0.547	0.62
121_I	125_Y	0.546	0.61
103_A	156_I	0.544	0.61
82_D	101_H	0.544	0.61
156_I	191_L	0.543	0.61
55_T	59_Q	0.538	0.60
112_V	149_K	0.535	0.60
11_L	47_L	0.534	0.60
135_L	138_Q	0.533	0.60
61_K	65_L	0.531	0.59
184_L	191_L	0.531	0.59
62_V	124_Y	0.531	0.59
85_F	98_G	0.530	0.59
78_V	112_V	0.526	0.59
23_L	42_V	0.521	0.58
152_G	184_L	0.519	0.58
187_T	190_A	0.514	0.57
12_V	17_R	0.513	0.57
193_N	196_F	0.513	0.57
35_L	129_L	0.512	0.57
80_I	164_S	0.512	0.57
76_Q	191_L	0.505	0.56
105_I	191_L	0.503	0.55
17_R	20_R	0.500	0.55

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
1is8A	5	0.9231	100	0.046	Contact Map
4uqfA	5	0.8942	100	0.057	Contact Map
1a8rA	7	0.9423	100	0.059	Contact Map
1wurA	6	0.8894	100	0.11	Contact Map
4f8bA	5	0.6827	87.4	0.935	Contact Map
3uxjA	2	0.8077	35	0.956	Contact Map
3sbtB	1	0.2067	19.5	0.961	Contact Map
1cmbA	2	0.1683	14.2	0.963	Contact Map
2nsaA	2	0.4279	14.1	0.963	Contact Map
1w79A	1	0.6394	12.2	0.964	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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