GCH1 - ECOLI - GREMLIN Contacts

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GCH1 - GTP cyclohydrolase 1

UniProt:	P0A6T5	Sequences: MPSLSKEAALVHEALVARGLETPLRPPVHEMDNETRKSLIAGHMTEIMQLLNLDLADDSLMETPHRIAKMYVDEIFSGLDYANFPKITLIENKMKVDEMVTVRDITLTSTCEHHFVTIDGKATVAYIPKDSVIGLSKINRIVQFFAQRPQVQERLTQQILIALQTLLGTNNVAVSIDAVHYCVKARGIRDATSATTTTSLGGLFKSSQNTRHEFLRAVRHHN	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11375
Length:	222 (185)
Sequences:	3014 (1462)
Seq/√Len:	107.5

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
41_A	65_H	3.386	1.00
124_V	138_I	3.036	1.00
65_H	69_K	2.950	1.00
37_K	73_D	2.567	1.00
43_H	46_E	2.544	1.00
40_I	47_I	2.509	1.00
79_L	149_P	2.399	1.00
125_A	173_A	2.381	1.00
62_E	65_H	2.246	1.00
107_L	178_A	2.186	1.00
161_I	201_G	2.139	1.00
45_T	56_A	2.086	1.00
129_K	170_N	2.027	1.00
39_L	46_E	1.988	1.00
84_F	165_T	1.986	1.00
75_I	116_V	1.973	1.00
39_L	49_Q	1.931	1.00
71_Y	76_F	1.913	1.00
82_A	85_P	1.881	1.00
122_A	176_I	1.852	1.00
44_M	67_I	1.834	1.00
125_A	214_F	1.827	1.00
173_A	200_L	1.783	1.00
43_H	50_L	1.745	1.00
97_D	205_K	1.732	1.00
53_L	57_D	1.721	1.00
145_F	158_Q	1.703	1.00
99_M	204_F	1.692	1.00
86_K	144_F	1.639	1.00
38_S	41_A	1.632	1.00
160_L	201_G	1.596	1.00
108_T	185_A	1.579	1.00
108_T	181_Y	1.559	1.00
46_E	49_Q	1.547	1.00
209_N	212_H	1.540	1.00
115_F	149_P	1.517	1.00
106_T	192_T	1.514	1.00
170_N	203_L	1.511	1.00
42_G	46_E	1.507	1.00
76_F	149_P	1.506	1.00
99_M	214_F	1.487	1.00
121_K	177_D	1.469	1.00
123_T	177_D	1.459	1.00
179_V	184_K	1.444	1.00
212_H	216_R	1.440	1.00
148_R	158_Q	1.416	1.00
177_D	194_A	1.395	1.00
107_L	142_V	1.394	1.00
124_V	142_V	1.380	1.00
143_Q	190_D	1.368	1.00
203_L	207_S	1.361	1.00
175_S	218_V	1.355	1.00
173_A	214_F	1.347	1.00
77_S	81_Y	1.347	1.00
76_F	110_T	1.339	1.00
164_Q	201_G	1.339	1.00
70_M	75_I	1.324	0.99
127_I	203_L	1.320	0.99
208_Q	212_H	1.289	0.99
40_I	68_A	1.279	0.99
99_M	125_A	1.268	0.99
175_S	214_F	1.266	0.99
36_R	39_L	1.265	0.99
81_Y	144_F	1.263	0.99
104_D	121_K	1.263	0.99
175_S	198_T	1.260	0.99
181_Y	185_A	1.250	0.99
160_L	199_S	1.237	0.99
48_M	115_F	1.215	0.99
74_E	189_R	1.213	0.99
141_I	163_L	1.200	0.99
119_D	181_Y	1.192	0.99
145_F	162_A	1.182	0.99
78_G	148_R	1.174	0.99
129_K	168_G	1.174	0.99
48_M	53_L	1.164	0.99
163_L	167_L	1.157	0.99
142_V	159_I	1.138	0.98
145_F	155_L	1.131	0.98
132_V	151_V	1.128	0.98
133_I	138_I	1.127	0.98
58_D	93_K	1.126	0.98
135_L	195_T	1.120	0.98
38_S	42_G	1.109	0.98
179_V	192_T	1.101	0.98
46_E	50_L	1.101	0.98
156_T	197_T	1.100	0.98
151_V	154_R	1.092	0.98
47_I	71_Y	1.087	0.98
122_A	159_I	1.085	0.98
99_M	210_T	1.073	0.98
45_T	55_L	1.072	0.98
216_R	219_R	1.071	0.98
102_V	193_S	1.064	0.97
107_L	176_I	1.063	0.97
198_T	210_T	1.060	0.97
200_L	211_R	1.060	0.97
137_K	140_R	1.058	0.97
161_I	165_T	1.035	0.97
37_K	41_A	1.030	0.97
122_A	142_V	1.025	0.97
62_E	89_L	1.024	0.97
53_L	59_S	1.011	0.97
87_I	133_I	1.006	0.96
160_L	174_V	1.004	0.96
101_T	125_A	0.994	0.96
155_L	159_I	0.990	0.96
94_M	154_R	0.983	0.96
110_T	116_V	0.973	0.96
108_T	119_D	0.967	0.96
84_F	166_L	0.963	0.95
179_V	194_A	0.960	0.95
123_T	175_S	0.948	0.95
44_M	47_I	0.943	0.95
107_L	155_L	0.923	0.94
83_N	144_F	0.920	0.94
67_I	71_Y	0.918	0.94
44_M	71_Y	0.918	0.94
116_V	185_A	0.917	0.94
36_R	50_L	0.899	0.93
157_Q	161_I	0.899	0.93
81_Y	86_K	0.890	0.93
143_Q	147_Q	0.887	0.93
131_S	168_G	0.884	0.93
102_V	195_T	0.877	0.93
133_I	173_A	0.875	0.92
77_S	147_Q	0.867	0.92
102_V	138_I	0.862	0.92
56_A	61_M	0.862	0.92
51_L	71_Y	0.857	0.92
210_T	213_E	0.854	0.92
55_L	60_L	0.849	0.91
67_I	115_F	0.848	0.91
53_L	60_L	0.848	0.91
45_T	49_Q	0.841	0.91
102_V	135_L	0.840	0.91
146_A	155_L	0.838	0.91
133_I	167_L	0.831	0.90
43_H	47_I	0.827	0.90
164_Q	172_V	0.821	0.90
136_S	140_R	0.814	0.89
59_S	112_E	0.814	0.89
160_L	172_V	0.808	0.89
106_T	121_K	0.808	0.89
101_T	217_A	0.806	0.89
39_L	50_L	0.806	0.89
37_K	69_K	0.805	0.89
57_D	60_L	0.804	0.89
161_I	199_S	0.801	0.89
156_T	176_I	0.800	0.89
184_K	191_A	0.798	0.89
119_D	179_V	0.797	0.88
203_L	206_S	0.795	0.88
75_I	110_T	0.795	0.88
103_R	196_T	0.793	0.88
139_N	183_V	0.785	0.88
86_K	141_I	0.784	0.88
98_E	199_S	0.783	0.88
204_F	214_F	0.782	0.88
91_E	131_S	0.782	0.88
107_L	119_D	0.782	0.88
40_I	44_M	0.782	0.88
87_I	141_I	0.777	0.87
198_T	213_E	0.770	0.87
200_L	205_K	0.769	0.87
118_I	181_Y	0.766	0.86
133_I	141_I	0.764	0.86
71_Y	75_I	0.761	0.86
96_V	154_R	0.753	0.86
214_F	218_V	0.750	0.85
98_E	205_K	0.749	0.85
138_I	163_L	0.745	0.85
155_L	176_I	0.743	0.85
39_L	43_H	0.743	0.85
136_S	188_I	0.740	0.85
164_Q	169_T	0.740	0.85
162_A	165_T	0.732	0.84
181_Y	184_K	0.729	0.84
200_L	210_T	0.728	0.84
139_N	190_D	0.712	0.82
164_Q	168_G	0.708	0.82
200_L	215_L	0.707	0.82
97_D	170_N	0.707	0.82
207_S	210_T	0.705	0.82
133_I	139_N	0.705	0.82
161_I	164_Q	0.704	0.81
123_T	218_V	0.704	0.81
108_T	147_Q	0.701	0.81
75_I	185_A	0.699	0.81
141_I	162_A	0.699	0.81
112_E	154_R	0.695	0.81
173_A	198_T	0.694	0.81
106_T	179_V	0.693	0.80
183_V	195_T	0.692	0.80
37_K	65_H	0.687	0.80
44_M	115_F	0.687	0.80
102_V	128_P	0.685	0.80
137_K	188_I	0.680	0.79
120_G	178_A	0.679	0.79
165_T	168_G	0.676	0.79
79_L	145_F	0.674	0.79
200_L	213_E	0.670	0.78
110_T	185_A	0.668	0.78
79_L	115_F	0.668	0.78
113_H	153_E	0.665	0.78
93_K	131_S	0.665	0.78
162_A	166_L	0.664	0.78
200_L	204_F	0.660	0.77
135_L	140_R	0.659	0.77
106_T	191_A	0.655	0.77
147_Q	189_R	0.654	0.77
92_N	132_V	0.650	0.76
121_K	194_A	0.645	0.76
114_H	153_E	0.641	0.75
90_I	93_K	0.636	0.75
153_E	182_C	0.635	0.74
144_F	162_A	0.630	0.74
175_S	210_T	0.628	0.74
98_E	198_T	0.621	0.73
175_S	217_A	0.620	0.73
83_N	87_I	0.616	0.72
40_I	50_L	0.615	0.72
110_T	118_I	0.613	0.72
135_L	180_H	0.605	0.71
198_T	205_K	0.604	0.71
57_D	112_E	0.598	0.70
151_V	195_T	0.597	0.70
157_Q	199_S	0.594	0.69
40_I	71_Y	0.587	0.69
152_Q	182_C	0.586	0.68
120_G	142_V	0.585	0.68
122_A	138_I	0.585	0.68
94_M	157_Q	0.582	0.68
48_M	67_I	0.576	0.67
84_F	88_T	0.571	0.66
119_D	184_K	0.571	0.66
127_I	170_N	0.569	0.66
171_N	203_L	0.563	0.65
113_H	182_C	0.556	0.64
125_A	175_S	0.555	0.64
44_M	48_M	0.554	0.64
203_L	210_T	0.551	0.64
114_H	182_C	0.547	0.63
107_L	120_G	0.546	0.63
39_L	42_G	0.545	0.63
35_T	50_L	0.541	0.62
212_H	215_L	0.540	0.62
104_D	194_A	0.540	0.62
141_I	145_F	0.539	0.62
187_G	195_T	0.538	0.62
127_I	210_T	0.537	0.62
106_T	190_D	0.535	0.61
86_K	90_I	0.533	0.61
99_M	127_I	0.531	0.61
186_R	195_T	0.528	0.60
104_D	123_T	0.525	0.60
155_L	158_Q	0.524	0.60
86_K	89_L	0.524	0.60
83_N	133_I	0.524	0.60
97_D	131_S	0.522	0.60
200_L	214_F	0.521	0.59
157_Q	201_G	0.520	0.59
42_G	45_T	0.519	0.59
41_A	45_T	0.519	0.59
209_N	216_R	0.515	0.59
102_V	183_V	0.514	0.58
73_D	80_D	0.513	0.58
78_G	147_Q	0.512	0.58
81_Y	85_P	0.512	0.58
98_E	210_T	0.511	0.58
203_L	216_R	0.511	0.58
182_C	187_G	0.507	0.57
99_M	218_V	0.506	0.57
111_C	114_H	0.506	0.57
165_T	216_R	0.505	0.57
67_I	75_I	0.504	0.57
150_Q	154_R	0.500	0.56
205_K	208_Q	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
1a8rA	7	0.9955	100	0.046	Contact Map
1is8A	5	0.8649	100	0.072	Contact Map
4uqfA	5	0.8333	100	0.085	Contact Map
1wurA	6	0.8333	100	0.136	Contact Map
4f8bA	5	0.6171	96	0.919	Contact Map
3uxjA	2	0.8288	52.7	0.954	Contact Map
3lq9A	1	0.4189	15.7	0.965	Contact Map
1w5dA	1	0.6622	12.7	0.966	Contact Map
1nbuA	4	0.4505	10.4	0.968	Contact Map
2q2kA	3	0.1982	9.5	0.968	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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