THIH - ECOLI - GREMLIN Contacts

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THIH - 2-iminoacetate synthase

UniProt:	P30140	Sequences: MKTFSDRWRQLDWDDIRLRINGKTAADVERALNASQLTRDDMMALLSPAASGYLEQLAQRAQRLTRQRFGNTVSFYVPLYLSNLCANDCTYCGFSMSNRIKRKTLDEADIARESAAIREMGFEHLLLVTGEHQAKVGMDYFRRHLPALREQFSSLQMEVQPLAETEYAELKQLGLDGVMVYQETYHEATYARHHLKGKKQDFFWRLETPDRLGRAGIDKIGLGALIGLSDNWRVDSYMVAEHLLWLQQHYWQSRYSVSFPRLRPCTGGIEPASIMDERQLVQTICAFRLLAPEIELSLSTRESPWFRDRVIPLAINNVSAFSKTQPGGYADNHPELEQFSPHDDRRPEAVAAALTAQGLQPVWKDWDSYLGRASQRL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11590
Length:	377 (302)
Sequences:	5530 (3133)
Seq/√Len:	180.3

ECOLI - THIH BIOB
BACSU - BIOB
HALSA - COFH COFG

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
142_R	169_E	4.825	1.00
187_E	203_F	4.255	1.00
164_E	214_R	4.175	1.00
210_D	249_H	3.227	1.00
107_E	143_R	3.169	1.00
149_R	176_D	3.117	1.00
39_R	238_M	3.056	1.00
62_Q	66_R	3.046	1.00
115_A	151_Q	2.952	1.00
188_A	235_D	2.927	1.00
88_D	97_S	2.906	1.00
30_R	41_D	2.725	1.00
64_L	289_L	2.708	1.00
106_D	109_D	2.655	1.00
138_M	142_R	2.649	1.00
164_E	168_A	2.633	1.00
107_E	147_A	2.626	1.00
295_E	316_N	2.581	1.00
110_I	144_H	2.571	1.00
139_D	169_E	2.403	1.00
164_E	211_R	2.383	1.00
43_M	234_V	2.324	1.00
111_A	147_A	2.243	1.00
241_E	290_L	2.226	1.00
39_R	241_E	2.221	1.00
168_A	172_Q	2.199	1.00
203_F	207_E	2.148	1.00
207_E	211_R	2.093	1.00
112_R	115_A	2.031	1.00
233_R	279_Q	2.014	1.00
45_L	286_A	1.982	1.00
115_A	119_E	1.979	1.00
257_V	291_A	1.959	1.00
60_R	289_L	1.953	1.00
62_Q	312_P	1.919	1.00
147_A	150_E	1.907	1.00
171_K	215_A	1.895	1.00
182_Q	239_V	1.880	1.00
114_S	148_L	1.839	1.00
142_R	146_P	1.835	1.00
43_M	47_S	1.818	1.00
222_L	243_L	1.787	1.00
147_A	151_Q	1.786	1.00
66_R	71_N	1.764	1.00
236_S	279_Q	1.758	1.00
188_A	238_M	1.739	1.00
296_L	315_I	1.736	1.00
177_G	219_K	1.728	1.00
143_R	146_P	1.718	1.00
42_M	290_L	1.706	1.00
185_Y	235_D	1.692	1.00
38_T	41_D	1.689	1.00
43_M	237_Y	1.688	1.00
142_R	173_L	1.655	1.00
62_Q	65_T	1.655	1.00
111_A	115_A	1.617	1.00
165_T	168_A	1.616	1.00
171_K	217_I	1.611	1.00
30_R	35_S	1.604	1.00
109_D	112_R	1.599	1.00
39_R	234_V	1.597	1.00
145_L	175_L	1.569	1.00
116_A	119_E	1.567	1.00
54_L	282_Q	1.555	1.00
204_W	207_E	1.548	1.00
240_A	287_F	1.537	1.00
141_F	170_L	1.523	1.00
117_I	122_F	1.517	1.00
39_R	237_Y	1.493	1.00
111_A	151_Q	1.485	1.00
39_R	43_M	1.484	1.00
189_T	192_R	1.477	1.00
47_S	233_R	1.470	1.00
58_A	313_L	1.464	1.00
163_A	166_E	1.449	1.00
59_Q	63_R	1.439	1.00
167_Y	215_A	1.438	1.00
162_L	170_L	1.427	1.00
37_L	289_L	1.415	1.00
298_L	310_V	1.414	1.00
63_R	67_Q	1.414	1.00
29_E	33_N	1.414	1.00
145_L	160_Q	1.382	1.00
138_M	166_E	1.375	1.00
210_D	214_R	1.366	1.00
210_D	246_L	1.355	1.00
201_D	204_W	1.330	1.00
187_E	191_A	1.326	1.00
42_M	241_E	1.320	1.00
281_V	310_V	1.311	1.00
28_V	60_R	1.309	1.00
115_A	152_F	1.307	1.00
236_S	283_T	1.294	1.00
46_L	286_A	1.293	1.00
47_S	234_V	1.289	1.00
49_A	282_Q	1.281	1.00
82_S	129_T	1.268	1.00
141_F	159_V	1.262	1.00
202_F	206_L	1.258	1.00
226_I	283_T	1.253	1.00
108_A	112_R	1.245	1.00
169_E	172_Q	1.230	1.00
42_M	237_Y	1.222	1.00
241_E	245_W	1.219	1.00
187_E	202_F	1.216	1.00
112_R	116_A	1.208	1.00
32_L	63_R	1.197	1.00
187_E	242_H	1.193	1.00
168_A	171_K	1.191	1.00
111_A	150_E	1.183	1.00
226_I	280_L	1.176	1.00
164_E	215_A	1.174	1.00
88_D	196_K	1.174	1.00
240_A	290_L	1.174	1.00
188_A	192_R	1.172	1.00
54_L	58_A	1.159	1.00
298_L	315_I	1.152	1.00
139_D	142_R	1.151	1.00
28_V	31_A	1.150	1.00
65_T	69_F	1.142	1.00
211_R	214_R	1.134	1.00
188_A	232_W	1.134	1.00
36_Q	244_L	1.121	1.00
146_P	173_L	1.120	1.00
84_L	104_T	1.118	1.00
104_T	132_H	1.115	1.00
277_E	306_F	1.111	1.00
235_D	238_M	1.102	1.00
44_A	48_P	1.101	1.00
305_W	308_D	1.101	1.00
263_R	274_I	1.090	1.00
207_E	210_D	1.088	1.00
64_L	67_Q	1.082	1.00
46_L	283_T	1.079	1.00
159_V	178_V	1.076	1.00
168_A	215_A	1.064	1.00
224_A	239_V	1.060	1.00
37_L	42_M	1.056	1.00
46_L	233_R	1.054	1.00
55_E	58_A	1.052	1.00
111_A	152_F	1.051	1.00
127_L	144_H	1.047	1.00
118_R	153_S	1.046	1.00
36_Q	248_Q	1.032	1.00
79_L	125_L	1.032	1.00
60_R	63_R	1.030	1.00
303_S	309_R	1.026	0.99
232_W	235_D	1.026	0.99
57_L	282_Q	1.021	0.99
107_E	111_A	1.015	0.99
107_E	140_Y	1.012	0.99
83_N	94_F	1.004	0.99
26_A	29_E	1.003	0.99
180_V	205_R	0.990	0.99
113_E	116_A	0.988	0.99
202_F	242_H	0.987	0.99
116_A	120_M	0.977	0.99
182_Q	202_F	0.976	0.99
206_L	242_H	0.975	0.99
36_Q	292_P	0.960	0.99
137_G	140_Y	0.959	0.99
276_D	279_Q	0.956	0.99
42_M	286_A	0.955	0.99
88_D	95_S	0.950	0.99
138_M	169_E	0.950	0.99
81_L	110_I	0.948	0.99
107_E	144_H	0.946	0.99
60_R	64_L	0.942	0.99
84_L	102_R	0.941	0.99
169_E	173_L	0.927	0.99
103_K	109_D	0.925	0.99
83_N	100_I	0.916	0.99
338_Q	341_P	0.915	0.99
58_A	285_C	0.913	0.99
29_E	56_Q	0.904	0.99
264_P	274_I	0.897	0.99
146_P	172_Q	0.897	0.99
180_V	208_T	0.896	0.99
48_P	57_L	0.891	0.99
146_P	150_E	0.886	0.99
178_V	212_L	0.885	0.98
142_R	172_Q	0.882	0.98
243_L	291_A	0.878	0.98
213_G	220_I	0.873	0.98
143_R	147_A	0.869	0.98
233_R	283_T	0.869	0.98
238_M	241_E	0.868	0.98
299_S	319_S	0.860	0.98
242_H	245_W	0.855	0.98
87_N	196_K	0.854	0.98
210_D	245_W	0.852	0.98
118_R	152_F	0.850	0.98
189_T	229_S	0.844	0.98
281_V	313_L	0.843	0.98
266_T	270_E	0.841	0.98
237_Y	241_E	0.837	0.98
126_L	299_S	0.832	0.98
113_E	125_L	0.831	0.98
77_V	117_I	0.829	0.98
98_N	134_A	0.828	0.98
69_F	316_N	0.823	0.98
211_R	215_A	0.820	0.98
156_Q	177_G	0.819	0.98
58_A	281_V	0.819	0.98
96_M	101_K	0.818	0.97
68_R	293_E	0.817	0.97
209_P	220_I	0.814	0.97
182_Q	185_Y	0.813	0.97
175_L	217_I	0.807	0.97
104_T	136_V	0.806	0.97
56_Q	59_Q	0.797	0.97
81_L	129_T	0.792	0.97
139_D	143_R	0.791	0.97
189_T	228_L	0.785	0.97
80_Y	103_K	0.780	0.97
48_P	60_R	0.780	0.97
182_Q	242_H	0.779	0.97
108_A	147_A	0.777	0.97
190_Y	205_R	0.776	0.97
114_S	152_F	0.771	0.96
54_L	278_R	0.770	0.96
264_P	268_G	0.767	0.96
69_F	295_E	0.766	0.96
191_A	200_Q	0.765	0.96
248_Q	292_P	0.765	0.96
240_A	291_A	0.763	0.96
48_P	282_Q	0.762	0.96
240_A	243_L	0.761	0.96
35_S	41_D	0.761	0.96
31_A	34_A	0.760	0.96
284_I	310_V	0.757	0.96
46_L	237_Y	0.755	0.96
158_E	299_S	0.754	0.96
27_D	44_A	0.752	0.96
228_L	272_A	0.749	0.96
185_Y	238_M	0.749	0.96
77_V	122_F	0.745	0.96
144_H	147_A	0.742	0.96
95_S	268_G	0.740	0.95
163_A	204_W	0.740	0.95
213_G	247_Q	0.738	0.95
163_A	208_T	0.726	0.95
115_A	118_R	0.725	0.95
311_I	314_A	0.723	0.95
134_A	137_G	0.721	0.95
206_L	210_D	0.716	0.95
166_E	169_E	0.716	0.95
161_P	205_R	0.716	0.95
26_A	44_A	0.713	0.94
101_K	329_Y	0.713	0.94
81_L	159_V	0.712	0.94
269_I	272_A	0.710	0.94
264_P	270_E	0.708	0.94
55_E	59_Q	0.704	0.94
138_M	170_L	0.704	0.94
264_P	271_P	0.704	0.94
184_T	189_T	0.703	0.94
203_F	242_H	0.703	0.94
108_A	111_A	0.702	0.94
29_E	32_L	0.702	0.94
297_S	319_S	0.701	0.94
167_Y	178_V	0.699	0.94
87_N	131_E	0.699	0.94
265_C	268_G	0.699	0.94
87_N	200_Q	0.699	0.94
310_V	315_I	0.697	0.94
128_V	158_E	0.696	0.94
241_E	244_L	0.694	0.94
284_I	315_I	0.694	0.94
138_M	157_M	0.693	0.94
66_R	70_G	0.693	0.94
158_E	161_P	0.688	0.93
32_L	60_R	0.686	0.93
28_V	32_L	0.685	0.93
189_T	193_H	0.684	0.93
37_L	290_L	0.683	0.93
27_D	30_R	0.682	0.93
136_V	140_Y	0.682	0.93
34_A	41_D	0.681	0.93
161_P	180_V	0.680	0.93
126_L	319_S	0.680	0.93
184_T	235_D	0.678	0.93
159_V	170_L	0.676	0.93
43_M	233_R	0.673	0.93
81_L	127_L	0.672	0.93
131_E	161_P	0.671	0.93
126_L	179_M	0.670	0.92
111_A	114_S	0.670	0.92
237_Y	286_A	0.668	0.92
28_V	56_Q	0.668	0.92
185_Y	188_A	0.665	0.92
285_C	314_A	0.665	0.92
167_Y	208_T	0.663	0.92
263_R	327_G	0.661	0.92
167_Y	217_I	0.661	0.92
333_H	336_L	0.661	0.92
163_A	211_R	0.661	0.92
141_F	145_L	0.660	0.92
282_Q	286_A	0.658	0.92
284_I	314_A	0.656	0.92
118_R	123_E	0.654	0.92
303_S	306_F	0.649	0.91
40_D	234_V	0.647	0.91
212_L	217_I	0.647	0.91
65_T	73_V	0.645	0.91
291_A	294_I	0.644	0.91
206_L	246_L	0.644	0.91
40_D	44_A	0.641	0.91
226_I	236_S	0.640	0.91
32_L	67_Q	0.640	0.91
185_Y	242_H	0.639	0.91
330_A	333_H	0.637	0.90
243_L	294_I	0.634	0.90
36_Q	249_H	0.633	0.90
281_V	309_R	0.632	0.90
34_A	249_H	0.630	0.90
93_G	265_C	0.628	0.90
283_T	286_A	0.628	0.90
63_R	66_R	0.627	0.90
145_L	155_L	0.626	0.90
90_T	193_H	0.626	0.90
112_R	119_E	0.621	0.89
126_L	297_S	0.621	0.89
305_W	309_R	0.619	0.89
62_Q	71_N	0.618	0.89
333_H	337_E	0.617	0.89
28_V	63_R	0.617	0.89
284_I	296_L	0.616	0.89
275_M	280_L	0.616	0.89
190_Y	194_H	0.614	0.89
57_L	64_L	0.612	0.89
233_R	236_S	0.611	0.89
225_L	228_L	0.610	0.89
30_R	33_N	0.609	0.88
287_F	291_A	0.607	0.88
158_E	319_S	0.606	0.88
79_L	114_S	0.606	0.88
75_F	320_A	0.605	0.88
41_D	44_A	0.605	0.88
209_P	222_L	0.604	0.88
42_M	240_A	0.603	0.88
261_R	280_L	0.602	0.88
27_D	60_R	0.600	0.88
44_A	47_S	0.600	0.88
304_P	307_R	0.599	0.88
93_G	194_H	0.599	0.88
90_T	192_R	0.598	0.88
141_F	144_H	0.597	0.87
237_Y	290_L	0.596	0.87
221_G	297_S	0.594	0.87
90_T	98_N	0.592	0.87
39_R	42_M	0.590	0.87
142_R	170_L	0.587	0.87
132_H	161_P	0.587	0.87
209_P	246_L	0.586	0.86
58_A	62_Q	0.586	0.86
278_R	306_F	0.584	0.86
58_A	309_R	0.582	0.86
184_T	224_A	0.582	0.86
162_L	166_E	0.581	0.86
65_T	316_N	0.580	0.86
277_E	303_S	0.579	0.86
156_Q	176_D	0.579	0.86
277_E	305_W	0.577	0.86
277_E	309_R	0.576	0.86
248_Q	293_E	0.575	0.85
279_Q	283_T	0.575	0.85
303_S	308_D	0.570	0.85
306_F	310_V	0.569	0.85
233_R	286_A	0.568	0.85
195_L	200_Q	0.568	0.85
162_L	165_T	0.566	0.85
128_V	319_S	0.566	0.85
334_P	339_F	0.566	0.85
262_L	274_I	0.563	0.84
31_A	60_R	0.563	0.84
55_E	312_P	0.561	0.84
289_L	292_P	0.561	0.84
126_L	158_E	0.560	0.84
167_Y	212_L	0.560	0.84
81_L	144_H	0.560	0.84
209_P	213_G	0.557	0.84
65_T	70_G	0.556	0.83
244_L	247_Q	0.556	0.83
55_E	71_N	0.554	0.83
298_L	307_R	0.553	0.83
221_G	319_S	0.551	0.83
124_H	156_Q	0.549	0.83
50_A	282_Q	0.549	0.83
266_T	271_P	0.549	0.83
106_D	112_R	0.548	0.83
128_V	161_P	0.548	0.83
247_Q	294_I	0.546	0.82
76_Y	181_Y	0.545	0.82
90_T	269_I	0.544	0.82
88_D	96_M	0.544	0.82
73_V	311_I	0.543	0.82
128_V	179_M	0.543	0.82
77_V	320_A	0.539	0.82
192_R	230_D	0.539	0.82
276_D	280_L	0.539	0.82
59_Q	62_Q	0.536	0.81
86_A	133_Q	0.532	0.81
189_T	235_D	0.531	0.81
107_E	110_I	0.530	0.80
61_A	285_C	0.530	0.80
120_M	321_F	0.529	0.80
56_Q	60_R	0.527	0.80
79_L	110_I	0.527	0.80
81_L	95_S	0.527	0.80
105_L	113_E	0.527	0.80
261_R	267_G	0.526	0.80
196_K	200_Q	0.526	0.80
124_H	297_S	0.525	0.80
128_V	259_F	0.524	0.80
37_L	41_D	0.524	0.80
140_Y	144_H	0.523	0.80
78_P	300_T	0.522	0.80
295_E	317_N	0.521	0.79
55_E	67_Q	0.521	0.79
245_W	249_H	0.521	0.79
212_L	220_I	0.520	0.79
158_E	225_L	0.520	0.79
49_A	54_L	0.519	0.79
82_S	104_T	0.518	0.79
188_A	191_A	0.517	0.79
57_L	285_C	0.517	0.79
91_Y	205_R	0.516	0.79
267_G	270_E	0.516	0.79
128_V	225_L	0.516	0.79
188_A	234_V	0.515	0.79
237_Y	244_L	0.515	0.79
30_R	34_A	0.514	0.78
75_F	318_V	0.513	0.78
311_I	315_I	0.512	0.78
286_A	290_L	0.511	0.78
28_V	289_L	0.511	0.78
193_H	229_S	0.511	0.78
118_R	148_L	0.510	0.78
297_S	317_N	0.509	0.78
183_E	319_S	0.509	0.78
326_P	329_Y	0.508	0.78
179_M	212_L	0.507	0.78
88_D	195_L	0.507	0.78
226_I	275_M	0.506	0.77
140_Y	143_R	0.505	0.77
278_R	282_Q	0.505	0.77
332_N	335_E	0.505	0.77
332_N	336_L	0.504	0.77
145_L	170_L	0.503	0.77
263_R	267_G	0.503	0.77
221_G	254_R	0.503	0.77
98_N	102_R	0.500	0.77

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
4wcxA	1	0.9894	100	0.458	Contact Map
4r33A	2	0.9629	100	0.46	Contact Map
4rtbA	2	0.9629	100	0.47	Contact Map
3t7vA	1	0.878	100	0.47	Contact Map
3iixA	1	0.9045	100	0.493	Contact Map
1r30A	2	0.7984	100	0.515	Contact Map
4u0oB	1	0.679	100	0.72	Contact Map
1oltA	1	0.8833	99.8	0.811	Contact Map
2qgqA	1	0.679	99.7	0.822	Contact Map
4jc0A	1	0.8886	99.7	0.827	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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