GCH1 - BACSU - GREMLIN Contacts

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GCH1 - GTP cyclohydrolase 1

UniProt:	P19465	Sequences: MKEVNKEQIEQAVRQILEAIGEDPNREGLLDTPKRVAKMYAEVFSGLNEDPKEHFQTIFGENHEELVLVKDIAFHSMCEHHLVPFYGKAHVAYIPRGGKVTGLSKLARAVEAVAKRPQLQERITSTIAESIVETLDPHGVMVVVEAEHMCMTMRGVRKPGAKTVTSAVRGVFKDDAAARAEVLEHIKRQD	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	190 (180)
Sequences:	2903 (1448)
Seq/√Len:	108.0

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
10_E	34_K	3.240	1.00
91_V	106_L	3.098	1.00
34_K	38_K	3.000	1.00
12_A	15_Q	2.538	1.00
9_I	16_I	2.518	1.00
6_K	41_A	2.449	1.00
47_L	117_P	2.429	1.00
92_A	141_M	2.263	1.00
31_D	34_K	2.221	1.00
14_R	25_N	2.175	1.00
74_F	146_A	2.090	1.00
96_R	138_H	2.041	1.00
129_E	169_R	2.038	1.00
8_Q	15_Q	2.011	1.00
8_Q	18_E	1.979	1.00
43_V	83_V	1.968	1.00
50_D	53_E	1.905	1.00
40_Y	44_F	1.902	1.00
89_A	144_V	1.873	1.00
52_K	133_E	1.862	1.00
141_M	168_V	1.831	1.00
66_L	172_F	1.801	1.00
13_V	36_V	1.788	1.00
92_A	182_V	1.782	1.00
22_E	26_R	1.761	1.00
12_A	19_A	1.752	1.00
7_E	10_E	1.686	1.00
113_V	126_T	1.678	1.00
54_H	112_A	1.662	1.00
64_E	173_K	1.600	1.00
177_A	180_A	1.595	1.00
15_Q	18_E	1.587	1.00
128_A	169_R	1.542	1.00
75_H	149_M	1.517	1.00
66_L	182_V	1.512	1.00
75_H	153_M	1.495	1.00
11_Q	15_Q	1.487	1.00
82_L	117_P	1.474	1.00
88_K	145_E	1.472	1.00
44_F	117_P	1.455	1.00
116_R	126_T	1.446	1.00
73_A	160_G	1.444	1.00
90_H	145_E	1.435	1.00
74_F	110_V	1.434	1.00
147_E	152_T	1.414	1.00
180_A	184_E	1.413	1.00
138_H	171_V	1.400	1.00
141_M	182_V	1.383	1.00
171_V	175_D	1.374	1.00
44_F	77_M	1.371	1.00
132_V	169_R	1.358	1.00
45_S	49_E	1.346	1.00
145_E	162_K	1.344	1.00
143_V	186_I	1.344	1.00
111_E	158_K	1.342	1.00
39_M	43_V	1.293	0.99
94_I	171_V	1.287	0.99
176_A	180_A	1.279	0.99
49_E	112_A	1.273	0.99
91_V	110_V	1.264	0.99
9_I	37_A	1.257	0.99
113_V	130_S	1.247	0.99
143_V	182_V	1.238	0.99
46_G	116_R	1.236	0.99
42_E	157_R	1.230	0.99
15_Q	19_A	1.227	0.99
113_V	123_I	1.220	0.99
143_V	166_S	1.214	0.99
17_L	82_L	1.210	0.99
149_M	153_M	1.194	0.99
128_A	167_A	1.191	0.99
96_R	136_D	1.188	0.99
103_L	163_T	1.159	0.99
131_I	135_L	1.157	0.99
100_V	119_L	1.154	0.99
17_L	22_E	1.153	0.99
71_D	88_K	1.136	0.98
31_D	57_T	1.130	0.98
74_F	144_V	1.114	0.98
55_F	101_T	1.112	0.98
66_L	92_A	1.106	0.98
7_E	11_Q	1.104	0.98
27_E	60_G	1.096	0.98
147_E	160_G	1.094	0.98
110_V	127_I	1.093	0.98
124_T	165_T	1.072	0.98
69_V	161_A	1.070	0.98
109_A	131_I	1.068	0.98
166_S	178_A	1.067	0.98
119_L	122_R	1.050	0.97
101_T	106_L	1.048	0.97
89_A	127_I	1.047	0.97
168_V	179_R	1.044	0.97
129_E	133_E	1.033	0.97
105_K	108_R	1.029	0.97
86_Y	149_M	1.017	0.97
14_R	24_P	1.014	0.97
58_I	99_K	0.997	0.96
51_P	112_A	0.994	0.96
22_E	28_G	0.994	0.96
16_I	40_Y	0.991	0.96
60_G	99_K	0.988	0.96
77_M	83_V	0.973	0.96
128_A	142_V	0.959	0.95
75_H	86_Y	0.952	0.95
123_I	127_I	0.951	0.95
13_V	16_I	0.945	0.95
45_S	115_K	0.943	0.95
25_N	30_L	0.941	0.95
66_L	178_A	0.940	0.95
54_H	109_A	0.934	0.95
26_R	29_L	0.926	0.94
89_A	110_V	0.924	0.94
49_E	54_H	0.923	0.94
68_L	92_A	0.922	0.94
13_V	40_Y	0.918	0.94
128_A	140_V	0.914	0.94
101_T	141_M	0.908	0.94
20_I	40_Y	0.904	0.94
147_E	162_K	0.904	0.94
90_H	143_V	0.885	0.93
61_E	122_R	0.883	0.93
36_V	40_Y	0.876	0.93
73_A	88_K	0.875	0.93
69_V	163_T	0.874	0.93
58_I	61_E	0.872	0.92
132_V	140_V	0.872	0.92
178_A	181_E	0.863	0.92
74_F	123_I	0.862	0.92
52_K	134_T	0.862	0.92
83_V	153_M	0.858	0.92
79_E	122_R	0.846	0.91
6_K	38_K	0.845	0.91
22_E	29_L	0.843	0.91
6_K	10_E	0.842	0.91
8_Q	19_A	0.840	0.91
125_S	129_E	0.836	0.91
172_F	182_V	0.834	0.91
114_A	123_I	0.833	0.91
14_R	18_E	0.829	0.90
101_T	109_A	0.827	0.90
124_T	144_V	0.826	0.90
36_V	82_L	0.825	0.90
12_A	16_I	0.825	0.90
111_E	115_K	0.822	0.90
182_V	186_I	0.811	0.89
40_Y	43_V	0.810	0.89
69_V	106_L	0.810	0.89
24_P	29_L	0.795	0.88
70_K	164_V	0.791	0.88
85_F	149_M	0.789	0.88
104_S	108_R	0.788	0.88
104_S	156_V	0.788	0.88
28_G	79_E	0.779	0.87
9_I	13_V	0.776	0.87
130_S	133_E	0.775	0.87
43_V	77_M	0.768	0.87
171_V	174_D	0.763	0.86
69_V	103_L	0.762	0.86
129_E	167_A	0.753	0.86
101_T	135_L	0.751	0.85
86_Y	147_E	0.750	0.85
175_D	178_A	0.745	0.85
47_L	113_V	0.744	0.85
109_A	130_S	0.741	0.85
99_K	136_D	0.738	0.84
168_V	178_A	0.737	0.84
65_E	173_K	0.732	0.84
107_A	151_M	0.730	0.84
123_I	144_V	0.728	0.84
106_L	131_I	0.728	0.84
152_T	159_P	0.727	0.84
69_V	95_P	0.726	0.84
65_E	167_A	0.719	0.83
166_S	181_E	0.719	0.83
168_V	173_K	0.718	0.83
101_T	107_A	0.708	0.82
168_V	183_L	0.706	0.82
80_H	121_E	0.706	0.82
63_H	122_R	0.705	0.82
8_Q	12_A	0.705	0.82
13_V	82_L	0.705	0.82
78_C	81_H	0.704	0.82
151_M	163_T	0.695	0.81
81_H	121_E	0.689	0.80
141_M	166_S	0.689	0.80
149_M	152_T	0.682	0.80
129_E	132_V	0.681	0.79
168_V	181_E	0.678	0.79
43_V	153_M	0.677	0.79
87_G	146_A	0.673	0.79
77_M	153_M	0.672	0.79
132_V	136_D	0.671	0.78
51_P	55_F	0.671	0.78
105_K	156_V	0.669	0.78
125_S	167_A	0.668	0.78
86_Y	152_T	0.666	0.78
94_I	138_H	0.666	0.78
132_V	137_P	0.665	0.78
68_L	185_H	0.660	0.77
74_F	86_Y	0.658	0.77
121_E	150_C	0.656	0.77
107_A	158_K	0.656	0.77
130_S	134_T	0.654	0.77
168_V	172_F	0.654	0.77
55_F	109_A	0.653	0.77
73_A	147_E	0.647	0.76
9_I	19_A	0.646	0.76
75_H	115_K	0.644	0.76
166_S	173_K	0.642	0.75
6_K	34_K	0.640	0.75
103_L	108_R	0.639	0.75
133_E	136_D	0.635	0.75
47_L	82_L	0.634	0.74
13_V	17_L	0.626	0.74
88_K	162_K	0.625	0.73
120_Q	150_C	0.623	0.73
90_H	186_I	0.616	0.72
77_M	85_F	0.615	0.72
154_R	163_T	0.615	0.72
52_K	56_Q	0.605	0.71
119_L	163_T	0.603	0.71
73_A	159_P	0.603	0.71
112_A	130_S	0.599	0.70
115_K	157_R	0.598	0.70
109_A	113_V	0.597	0.70
10_E	14_R	0.594	0.70
80_H	150_C	0.589	0.69
81_H	150_C	0.583	0.68
143_V	185_H	0.582	0.68
67_V	100_V	0.581	0.68
171_V	178_A	0.573	0.67
139_G	171_V	0.570	0.66
26_R	79_E	0.567	0.66
32_T	35_R	0.566	0.66
143_V	178_A	0.557	0.65
173_K	176_A	0.557	0.65
17_L	36_V	0.555	0.64
89_A	106_L	0.552	0.64
103_L	119_L	0.552	0.64
74_F	87_G	0.551	0.64
92_A	143_V	0.543	0.63
64_E	138_H	0.541	0.62
57_T	61_E	0.540	0.62
56_Q	112_A	0.537	0.62
69_V	151_M	0.536	0.62
155_G	163_T	0.536	0.62
65_E	166_S	0.532	0.61
156_V	163_T	0.529	0.61
103_L	148_H	0.526	0.60
54_H	57_T	0.525	0.60
71_D	90_H	0.525	0.60
81_H	120_Q	0.521	0.60
41_A	48_N	0.520	0.59
100_V	136_D	0.519	0.59
10_E	41_A	0.518	0.59
166_S	185_H	0.515	0.59
14_R	68_L	0.515	0.59
80_H	120_Q	0.512	0.58
48_N	186_I	0.511	0.58
123_I	126_T	0.510	0.58
35_R	108_R	0.509	0.58
87_G	110_V	0.507	0.58
180_A	183_L	0.507	0.58
42_E	155_G	0.507	0.58
71_D	162_K	0.504	0.57
8_Q	11_Q	0.502	0.57
19_A	41_A	0.501	0.57
65_E	178_A	0.501	0.57
37_A	41_A	0.500	0.56

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
4uqfA	5	0.9789	100	0.002	Contact Map
1is8A	5	0.9737	100	0.012	Contact Map
1a8rA	7	0.9947	100	0.027	Contact Map
1wurA	6	0.9684	100	0.078	Contact Map
4f8bA	5	0.7158	95.7	0.913	Contact Map
3uxjA	2	0.8789	79.5	0.939	Contact Map
2nsaA	2	0.4211	35.5	0.954	Contact Map
2q2kA	3	0.1105	18	0.961	Contact Map
1w79A	1	0.6579	15.6	0.962	Contact Map
1w5dA	1	0.6263	15.2	0.962	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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