AROC - HALSA - GREMLIN Contacts

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AROC - Chorismate synthase

UniProt:	Q9HQC2	Sequences: MNGNRFGRLFEVTTYGESHGPGMGVVVSGCPAGVALDERMIQDELDRRKPGQSMITTSRGEPDEVSIQSGLQDGYTTGTPIGMTIENKDAESGKYEPFVTAPRPSHGDYTYSAKFGTRNWGGGGRSSARETVNWVAAGAVAKAVLAQSDHDVRVKAHVNQIGEIEAPDVSFEDIREHSEDNEVRCADPETAERMRALIDDYQERGDSIGGSIYFEARGVPRGLGAPRFDSVPARLGQALFAIPATTSVEFGLGRDARSVAGKQRNEDWTVADGDEDHVVADEGDPIPAGNDHGGLQGGITTGEPIYGEASWHAPTSIPKTQATVDWETGEEKAVTVTGRHDPSLPPRAVPVVEAMLYCTILDFMLLGGRINPDRLDGHPGQYDTDYHPSSPRNE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	394 (351)
Sequences:	3224 (1560)
Seq/√Len:	83.2

ECOLI - AROC
BACSU - AROC
HALSA - AROC
SULSO - AROC

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_S	86_E	4.781	1.00
231_V	300_T	3.572	1.00
247_S	254_R	3.188	1.00
216_A	356_L	3.171	1.00
44_E	142_K	3.168	1.00
40_M	143_A	3.159	1.00
85_I	132_V	3.095	1.00
325_D	330_E	2.998	1.00
206_D	262_K	2.954	1.00
252_L	291_D	2.953	1.00
219_V	305_I	2.873	1.00
144_V	361_L	2.667	1.00
234_R	363_F	2.546	1.00
204_R	260_A	2.329	1.00
254_R	310_S	2.314	1.00
185_C	194_M	2.287	1.00
72_Q	120_W	2.274	1.00
235_L	356_L	2.262	1.00
102_P	112_S	2.254	1.00
30_C	81_I	2.247	1.00
217_R	304_P	2.236	1.00
320_T	333_A	2.198	1.00
239_L	307_G	2.190	1.00
247_S	310_S	2.153	1.00
12_V	25_V	2.144	1.00
27_V	140_V	2.143	1.00
160_Q	258_S	2.103	1.00
216_A	360_I	2.065	1.00
249_E	308_E	2.032	1.00
65_V	83_M	2.004	1.00
200_D	204_R	1.996	1.00
37_D	40_M	1.991	1.00
239_L	356_L	1.983	1.00
15_Y	82_G	1.968	1.00
157_H	186_A	1.962	1.00
35_A	75_Y	1.961	1.00
154_V	357_Y	1.952	1.00
62_P	88_K	1.910	1.00
229_D	237_Q	1.896	1.00
181_N	191_A	1.851	1.00
267_D	322_A	1.849	1.00
163_E	197_L	1.843	1.00
270_V	331_E	1.833	1.00
107_G	297_G	1.828	1.00
288_A	322_A	1.813	1.00
307_G	356_L	1.807	1.00
190_T	193_R	1.797	1.00
322_A	333_A	1.788	1.00
25_V	83_M	1.777	1.00
160_Q	163_E	1.768	1.00
269_T	288_A	1.766	1.00
130_E	134_W	1.762	1.00
271_A	282_E	1.759	1.00
197_L	201_Y	1.758	1.00
160_Q	165_E	1.748	1.00
234_R	237_Q	1.711	1.00
213_Y	308_E	1.705	1.00
22_G	84_T	1.703	1.00
242_I	352_V	1.699	1.00
201_Y	208_I	1.640	1.00
256_A	264_R	1.629	1.00
150_H	364_M	1.627	1.00
320_T	335_T	1.604	1.00
36_L	140_V	1.595	1.00
42_Q	46_D	1.586	1.00
22_G	68_Q	1.585	1.00
215_E	304_P	1.580	1.00
182_E	195_R	1.566	1.00
234_R	366_L	1.563	1.00
5_R	13_T	1.553	1.00
15_Y	24_G	1.526	1.00
192_E	195_R	1.493	0.99
177_H	180_D	1.457	0.99
210_G	345_P	1.445	0.99
159_N	213_Y	1.445	0.99
83_M	136_A	1.442	0.99
311_W	352_V	1.441	0.99
239_L	309_A	1.434	0.99
259_V	264_R	1.432	0.99
295_L	305_I	1.432	0.99
211_S	308_E	1.429	0.99
30_C	140_V	1.429	0.99
309_A	352_V	1.426	0.99
41_I	139_A	1.420	0.99
255_D	258_S	1.413	0.99
265_N	321_Q	1.412	0.99
21_P	66_S	1.411	0.99
10_F	30_C	1.410	0.99
146_A	153_R	1.401	0.99
101_A	332_K	1.394	0.99
179_E	184_R	1.390	0.99
109_Y	268_W	1.382	0.99
214_F	352_V	1.372	0.99
269_T	286_I	1.363	0.99
295_L	300_T	1.363	0.99
71_L	81_I	1.357	0.99
183_V	198_I	1.344	0.99
97_P	337_T	1.343	0.99
238_A	359_T	1.342	0.99
161_I	343_S	1.340	0.99
25_V	137_A	1.336	0.99
142_K	353_E	1.329	0.99
268_W	287_P	1.323	0.99
35_A	147_Q	1.315	0.99
36_L	76_T	1.312	0.98
102_P	326_W	1.310	0.98
239_L	248_V	1.308	0.98
236_G	240_F	1.306	0.98
325_D	332_K	1.302	0.98
286_I	303_E	1.296	0.98
153_R	217_R	1.295	0.98
248_V	307_G	1.295	0.98
54_M	199_D	1.294	0.98
100_T	327_E	1.289	0.98
199_D	202_Q	1.288	0.98
34_V	144_V	1.277	0.98
155_K	178_S	1.268	0.98
8_R	11_E	1.261	0.98
226_P	299_I	1.256	0.98
44_E	139_A	1.253	0.98
245_T	311_W	1.252	0.98
47_R	353_E	1.242	0.98
75_Y	117_T	1.231	0.98
156_A	349_V	1.228	0.98
244_A	344_L	1.218	0.98
25_V	133_N	1.211	0.97
112_S	326_W	1.204	0.97
206_D	260_A	1.199	0.97
160_Q	211_S	1.197	0.97
21_P	86_E	1.196	0.97
363_F	366_L	1.195	0.97
196_A	200_D	1.187	0.97
257_R	310_S	1.185	0.97
37_D	143_A	1.181	0.97
240_F	250_F	1.179	0.97
10_F	27_V	1.179	0.97
216_A	305_I	1.173	0.97
164_I	190_T	1.170	0.97
142_K	357_Y	1.170	0.97
233_A	237_Q	1.164	0.97
322_A	331_E	1.163	0.97
128_A	344_L	1.160	0.97
197_L	260_A	1.159	0.97
252_L	256_A	1.157	0.97
270_V	329_G	1.152	0.97
36_L	40_M	1.146	0.96
205_G	318_P	1.143	0.96
10_F	358_C	1.143	0.96
27_V	83_M	1.142	0.96
216_A	219_V	1.141	0.96
152_V	364_M	1.135	0.96
105_S	296_Q	1.131	0.96
223_L	364_M	1.116	0.96
311_W	348_A	1.107	0.96
91_E	94_K	1.107	0.96
267_D	288_A	1.106	0.96
225_A	363_F	1.106	0.96
323_T	332_K	1.105	0.96
167_P	190_T	1.102	0.96
204_R	319_K	1.090	0.95
197_L	200_D	1.087	0.95
187_D	190_T	1.081	0.95
262_K	317_I	1.078	0.95
40_M	43_D	1.075	0.95
141_A	358_C	1.073	0.95
58_S	89_D	1.072	0.95
100_T	325_D	1.067	0.95
49_K	62_P	1.066	0.95
269_T	331_E	1.065	0.95
311_W	344_L	1.062	0.95
252_L	259_V	1.059	0.94
296_Q	301_T	1.056	0.94
245_T	309_A	1.051	0.94
207_S	314_P	1.048	0.94
211_S	254_R	1.046	0.94
323_T	334_V	1.040	0.94
195_R	199_D	1.040	0.94
219_V	223_L	1.039	0.94
10_F	141_A	1.038	0.94
271_A	286_I	1.032	0.94
287_P	303_E	1.026	0.93
40_M	146_A	1.019	0.93
113_A	221_R	1.010	0.93
165_E	258_S	1.009	0.93
356_L	360_I	1.008	0.93
212_I	352_V	1.000	0.93
160_Q	257_R	0.993	0.92
33_G	75_Y	0.991	0.92
134_W	355_M	0.988	0.92
238_A	355_M	0.982	0.92
110_T	268_W	0.980	0.92
242_I	355_M	0.978	0.92
17_E	77_T	0.976	0.92
11_E	28_S	0.967	0.91
109_Y	113_A	0.963	0.91
42_Q	45_L	0.959	0.91
164_I	193_R	0.958	0.91
193_R	196_A	0.957	0.91
49_K	60_G	0.955	0.91
58_S	202_Q	0.952	0.91
191_A	195_R	0.950	0.90
213_Y	306_Y	0.948	0.90
192_E	196_A	0.935	0.90
110_T	299_I	0.933	0.90
185_C	191_A	0.933	0.90
30_C	34_V	0.931	0.90
235_L	307_G	0.922	0.89
252_L	255_D	0.917	0.89
237_Q	241_A	0.916	0.89
212_I	311_W	0.907	0.88
105_S	292_H	0.903	0.88
23_M	133_N	0.902	0.88
181_N	188_P	0.895	0.88
32_A	370_I	0.895	0.88
267_D	289_G	0.895	0.88
164_I	197_L	0.895	0.88
96_E	120_W	0.893	0.88
155_K	217_R	0.891	0.87
214_F	307_G	0.890	0.87
98_F	120_W	0.888	0.87
158_V	345_P	0.887	0.87
259_V	263_Q	0.880	0.87
190_T	194_M	0.879	0.87
177_H	188_P	0.878	0.87
9_L	366_L	0.878	0.87
53_S	56_T	0.877	0.87
143_A	146_A	0.876	0.87
183_V	191_A	0.874	0.86
167_P	187_D	0.873	0.86
23_M	132_V	0.872	0.86
201_Y	260_A	0.869	0.86
157_H	213_Y	0.867	0.86
271_A	284_D	0.866	0.86
189_E	193_R	0.864	0.86
25_V	82_G	0.863	0.86
52_Q	56_T	0.863	0.86
67_I	71_L	0.858	0.85
156_A	214_F	0.856	0.85
66_S	84_T	0.854	0.85
197_L	208_I	0.853	0.85
211_S	247_S	0.852	0.85
316_S	336_V	0.852	0.85
214_F	309_A	0.852	0.85
158_V	161_I	0.850	0.85
230_S	243_P	0.847	0.85
162_G	208_I	0.844	0.84
110_T	296_Q	0.843	0.84
314_P	342_P	0.839	0.84
96_E	99_V	0.838	0.84
164_I	194_M	0.837	0.84
285_P	324_V	0.832	0.84
155_K	215_E	0.829	0.83
162_G	197_L	0.828	0.83
252_L	264_R	0.824	0.83
216_A	307_G	0.824	0.83
231_V	363_F	0.824	0.83
68_Q	84_T	0.823	0.83
41_I	67_I	0.823	0.83
176_E	180_D	0.822	0.83
206_D	319_K	0.821	0.83
191_A	194_M	0.819	0.83
130_E	227_R	0.816	0.82
270_V	285_P	0.816	0.82
151_D	218_G	0.815	0.82
134_W	241_A	0.813	0.82
327_E	330_E	0.807	0.82
185_C	190_T	0.807	0.82
72_Q	121_G	0.802	0.81
101_A	323_T	0.801	0.81
232_P	246_T	0.800	0.81
81_I	140_V	0.797	0.81
314_P	344_L	0.795	0.81
17_E	20_G	0.792	0.80
292_H	296_Q	0.791	0.80
367_G	370_I	0.789	0.80
30_C	141_A	0.789	0.80
85_I	133_N	0.787	0.80
345_P	348_A	0.784	0.80
8_R	366_L	0.782	0.80
315_T	351_V	0.781	0.80
235_L	359_T	0.779	0.79
93_G	96_E	0.779	0.79
14_T	130_E	0.778	0.79
55_I	198_I	0.778	0.79
71_L	143_A	0.778	0.79
232_P	236_G	0.777	0.79
161_I	198_I	0.773	0.79
14_T	134_W	0.772	0.79
67_I	136_A	0.771	0.79
5_R	11_E	0.768	0.78
208_I	260_A	0.767	0.78
223_L	360_I	0.765	0.78
6_F	358_C	0.765	0.78
170_S	173_D	0.763	0.78
225_A	229_D	0.756	0.77
64_E	88_K	0.750	0.77
47_R	350_P	0.750	0.77
232_P	250_F	0.749	0.77
239_L	352_V	0.749	0.77
287_P	301_T	0.748	0.77
199_D	203_E	0.745	0.76
205_G	319_K	0.744	0.76
158_V	346_P	0.742	0.76
166_A	190_T	0.742	0.76
34_V	361_L	0.741	0.76
42_Q	64_E	0.739	0.76
55_I	195_R	0.738	0.76
110_T	301_T	0.737	0.76
359_T	362_D	0.735	0.75
163_E	258_S	0.734	0.75
45_L	132_V	0.733	0.75
200_D	203_E	0.731	0.75
23_M	85_I	0.729	0.75
130_E	133_N	0.727	0.75
229_D	234_R	0.725	0.74
348_A	352_V	0.725	0.74
198_I	343_S	0.724	0.74
97_P	101_A	0.718	0.74
38_E	42_Q	0.718	0.74
211_S	257_R	0.717	0.74
262_K	319_K	0.717	0.74
240_F	307_G	0.717	0.74
211_S	310_S	0.716	0.73
255_D	259_V	0.714	0.73
38_E	66_S	0.714	0.73
234_R	359_T	0.714	0.73
256_A	292_H	0.713	0.73
229_D	366_L	0.713	0.73
128_A	243_P	0.711	0.73
46_D	49_K	0.710	0.73
83_M	140_V	0.707	0.72
300_T	305_I	0.707	0.72
311_W	351_V	0.705	0.72
154_V	360_I	0.702	0.72
24_G	68_Q	0.700	0.72
42_Q	49_K	0.700	0.72
15_Y	26_V	0.698	0.72
10_F	361_L	0.696	0.71
194_M	198_I	0.693	0.71
55_I	183_V	0.693	0.71
26_V	82_G	0.693	0.71
219_V	299_I	0.693	0.71
76_T	143_A	0.692	0.71
225_A	366_L	0.691	0.71
32_A	367_G	0.689	0.71
219_V	364_M	0.688	0.70
318_P	336_V	0.687	0.70
6_F	355_M	0.686	0.70
13_T	26_V	0.685	0.70
67_I	83_M	0.685	0.70
270_V	283_G	0.685	0.70
33_G	117_T	0.679	0.69
268_W	296_Q	0.678	0.69
196_A	199_D	0.676	0.69
268_W	285_P	0.675	0.69
212_I	348_A	0.674	0.69
142_K	154_V	0.672	0.69
240_F	248_V	0.670	0.68
260_A	263_Q	0.669	0.68
193_R	197_L	0.667	0.68
12_V	358_C	0.667	0.68
12_V	137_A	0.667	0.68
105_S	315_T	0.666	0.68
98_F	334_V	0.665	0.68
90_A	94_K	0.665	0.68
269_T	322_A	0.663	0.68
20_G	121_G	0.661	0.67
111_Y	126_S	0.660	0.67
27_V	141_A	0.656	0.67
6_F	238_A	0.655	0.67
232_P	248_V	0.654	0.67
167_P	170_S	0.652	0.66
256_A	259_V	0.651	0.66
99_V	120_W	0.649	0.66
201_Y	204_R	0.648	0.66
295_L	301_T	0.646	0.66
214_F	356_L	0.644	0.65
125_R	130_E	0.644	0.65
68_Q	82_G	0.643	0.65
42_Q	65_V	0.643	0.65
292_H	305_I	0.639	0.65
128_A	351_V	0.638	0.65
159_N	165_E	0.637	0.65
153_R	218_G	0.637	0.65
168_D	187_D	0.634	0.64
89_D	93_G	0.630	0.64
166_A	186_A	0.628	0.63
230_S	233_A	0.628	0.63
270_V	324_V	0.628	0.63
12_V	355_M	0.626	0.63
92_S	121_G	0.625	0.63
14_T	230_S	0.625	0.63
14_T	125_R	0.624	0.63
305_I	360_I	0.623	0.63
36_L	143_A	0.623	0.63
112_S	120_W	0.622	0.63
159_N	211_S	0.621	0.63
14_T	133_N	0.621	0.63
143_A	147_Q	0.619	0.62
365_L	368_G	0.619	0.62
344_L	351_V	0.616	0.62
44_E	47_R	0.615	0.62
39_R	43_D	0.614	0.62
72_Q	119_N	0.611	0.61
244_A	348_A	0.611	0.61
198_I	201_Y	0.608	0.61
68_Q	86_E	0.604	0.60
41_I	83_M	0.603	0.60
24_G	82_G	0.602	0.60
269_T	285_P	0.601	0.60
157_H	215_E	0.600	0.60
28_S	227_R	0.597	0.60
233_A	241_A	0.597	0.60
270_V	282_E	0.597	0.60
38_E	64_E	0.597	0.60
35_A	143_A	0.595	0.59
249_E	253_G	0.594	0.59
355_M	359_T	0.594	0.59
27_V	30_C	0.593	0.59
134_W	227_R	0.593	0.59
76_T	140_V	0.592	0.59
227_R	241_A	0.592	0.59
244_A	311_W	0.592	0.59
156_A	353_E	0.591	0.59
53_S	181_N	0.590	0.59
73_D	120_W	0.587	0.58
235_L	248_V	0.586	0.58
268_W	324_V	0.586	0.58
235_L	239_L	0.585	0.58
242_I	351_V	0.584	0.58
215_E	306_Y	0.584	0.58
165_E	255_D	0.580	0.57
38_E	143_A	0.578	0.57
147_Q	150_H	0.577	0.57
12_V	27_V	0.577	0.57
34_V	143_A	0.576	0.57
249_E	254_R	0.576	0.57
60_G	89_D	0.574	0.57
205_G	335_T	0.571	0.56
227_R	230_S	0.568	0.56
216_A	235_L	0.566	0.56
361_L	365_L	0.565	0.55
250_F	307_G	0.565	0.55
37_D	43_D	0.565	0.55
137_A	358_C	0.564	0.55
166_A	185_C	0.560	0.55
72_Q	77_T	0.560	0.55
202_Q	205_G	0.560	0.55
228_F	243_P	0.559	0.55
173_D	180_D	0.557	0.54
344_L	348_A	0.554	0.54
77_T	122_G	0.553	0.54
47_R	179_E	0.551	0.54
130_E	241_A	0.551	0.54
157_H	166_A	0.550	0.53
44_E	135_V	0.550	0.53
59_R	94_K	0.549	0.53
82_G	133_N	0.549	0.53
193_R	200_D	0.548	0.53
52_Q	199_D	0.548	0.53
65_V	71_L	0.547	0.53
159_N	306_Y	0.547	0.53
36_L	43_D	0.547	0.53
30_C	358_C	0.547	0.53
216_A	223_L	0.547	0.53
79_T	111_Y	0.547	0.53
126_S	130_E	0.546	0.53
159_N	308_E	0.546	0.53
114_K	225_A	0.545	0.53
164_I	201_Y	0.545	0.53
60_G	88_K	0.544	0.53
52_Q	57_T	0.543	0.52
156_A	352_V	0.542	0.52
36_L	67_I	0.541	0.52
229_D	363_F	0.541	0.52
30_C	144_V	0.540	0.52
41_I	143_A	0.540	0.52
315_T	335_T	0.540	0.52
45_L	136_A	0.539	0.52
27_V	139_A	0.536	0.52
220_P	364_M	0.536	0.52
32_A	79_T	0.535	0.51
152_V	219_V	0.533	0.51
8_R	229_D	0.533	0.51
243_P	348_A	0.533	0.51
206_D	263_Q	0.532	0.51
296_Q	316_S	0.531	0.51
166_A	187_D	0.531	0.51
166_A	169_V	0.531	0.51
83_M	133_N	0.531	0.51
364_M	368_G	0.529	0.51
49_K	52_Q	0.529	0.51
340_H	347_R	0.529	0.51
41_I	45_L	0.529	0.51
25_V	243_P	0.528	0.51
316_S	351_V	0.527	0.50
125_R	134_W	0.527	0.50
188_P	191_A	0.526	0.50
264_R	292_H	0.525	0.50
69_S	82_G	0.523	0.50
157_H	178_S	0.523	0.50
198_I	202_Q	0.522	0.50
318_P	337_T	0.521	0.50
350_P	368_G	0.520	0.49
91_E	96_E	0.519	0.49
292_H	295_L	0.518	0.49
14_T	227_R	0.517	0.49
156_A	212_I	0.517	0.49
270_V	284_D	0.516	0.49
43_D	46_D	0.514	0.49
31_P	365_L	0.514	0.49
38_E	67_I	0.514	0.49
180_D	188_P	0.513	0.49
45_L	220_P	0.513	0.49
227_R	237_Q	0.512	0.48
142_K	146_A	0.511	0.48
53_S	346_P	0.511	0.48
12_V	83_M	0.511	0.48
17_E	121_G	0.511	0.48
172_E	176_E	0.508	0.48
10_F	365_L	0.508	0.48
20_G	77_T	0.507	0.48
73_D	96_E	0.506	0.48
88_K	91_E	0.502	0.47
56_T	346_P	0.500	0.47
77_T	119_N	0.500	0.47

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
1r53A	4	0.703	100	0.074	Contact Map
1sq1A	4	0.731	100	0.078	Contact Map
4ob9A	2	0.7944	100	0.078	Contact Map
1q1lA	4	0.8299	100	0.082	Contact Map
1um0A	4	0.9112	100	0.083	Contact Map
2o11A	4	0.9137	100	0.083	Contact Map
4ecdA	3	0.6802	100	0.085	Contact Map
1qxoA	4	0.934	100	0.086	Contact Map
4wdcA	1	0.4264	34.9	0.979	Contact Map
2ekmA	3	0.1371	28.1	0.98	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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