AROC - SULSO - GREMLIN Contacts

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AROC - Chorismate synthase

UniProt:	Q980I7	Sequences: MPGNSFGKLFRITTFGESHGPAVGVVIDGVPAGLPLTVEDIKFELEFRRPGRLYVSGRREKDEPEILSGIFNNRTTGSPIAVIVRNTDVISSFYDEIKYKPRPGHADLPFIMKYGYENWDYRGGGRASARETVSRVIAGAVAKKLLMLTDTWIAGHLRSLGPEELSEEVTFEEVLCSKYSPVRASKKDLEEKYEALIKKATQEGDSYGGIAEVIAKNPPIGLGEPVFDKMKAELAKAIMSIPAVMGFEYGLGFIASKMKGSEANDEIIRKNNRIGWKYNYAGGILGGLTNGEDLIVRCAFKPTSSIRKPQKTIDLRNLEESYISVIGRHDPAVAIRGVTVVESMVALTIVDHAMRAGAIPLVKLTEDQANTIQQRWERYVKSCKPMEESQS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	391 (351)
Sequences:	3226 (1551)
Seq/√Len:	82.8

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
65_E	85_R	4.871	1.00
230_M	289_T	3.641	1.00
215_A	345_V	3.251	1.00
40_D	144_K	3.248	1.00
314_D	319_E	3.244	1.00
246_G	253_F	3.205	1.00
44_E	143_K	3.182	1.00
84_V	133_V	3.123	1.00
251_L	280_Y	2.984	1.00
205_D	261_S	2.983	1.00
218_P	294_L	2.913	1.00
145_L	350_V	2.713	1.00
233_E	352_H	2.545	1.00
203_E	259_K	2.379	1.00
253_F	299_A	2.339	1.00
71_F	121_Y	2.312	1.00
30_V	80_I	2.296	1.00
184_A	193_Y	2.275	1.00
216_K	293_D	2.271	1.00
234_L	345_V	2.271	1.00
101_P	111_I	2.263	1.00
238_I	296_V	2.234	1.00
246_G	299_A	2.179	1.00
12_I	25_V	2.160	1.00
309_P	322_Y	2.123	1.00
27_I	141_V	2.119	1.00
159_S	257_K	2.110	1.00
215_A	349_I	2.104	1.00
248_E	297_R	2.078	1.00
64_P	82_V	2.075	1.00
37_T	40_D	2.038	1.00
15_F	81_A	2.001	1.00
156_H	185_S	1.989	1.00
238_I	345_V	1.985	1.00
176_C	179_Y	1.975	1.00
153_I	346_A	1.962	1.00
199_K	203_E	1.960	1.00
61_K	87_T	1.959	1.00
228_D	236_K	1.931	1.00
35_P	74_R	1.929	1.00
180_S	190_E	1.888	1.00
162_P	196_L	1.859	1.00
106_A	286_G	1.858	1.00
296_V	345_V	1.837	1.00
266_E	311_K	1.834	1.00
277_K	311_K	1.830	1.00
159_S	162_P	1.816	1.00
25_V	82_V	1.813	1.00
189_L	192_K	1.800	1.00
268_I	277_K	1.794	1.00
159_S	164_E	1.762	1.00
196_L	200_A	1.761	1.00
233_E	236_K	1.748	1.00
131_E	135_R	1.746	1.00
309_P	324_S	1.734	1.00
212_E	297_R	1.724	1.00
22_A	83_I	1.706	1.00
200_A	207_Y	1.700	1.00
241_I	341_V	1.670	1.00
269_R	320_E	1.662	1.00
255_A	263_A	1.661	1.00
214_I	293_D	1.639	1.00
181_P	194_E	1.632	1.00
36_L	141_V	1.632	1.00
42_K	46_E	1.620	1.00
22_A	67_L	1.592	1.00
5_S	13_T	1.581	1.00
233_E	355_R	1.552	1.00
191_E	194_E	1.537	1.00
15_F	24_G	1.513	0.99
284_I	294_L	1.462	0.99
82_V	137_I	1.460	0.99
210_I	297_R	1.457	0.99
209_G	334_A	1.457	0.99
158_R	212_E	1.456	0.99
41_I	140_A	1.449	0.99
258_M	263_A	1.448	0.99
300_F	341_V	1.448	0.99
298_C	341_V	1.445	0.99
30_V	141_V	1.432	0.99
264_N	310_Q	1.432	0.99
10_F	30_V	1.429	0.99
238_I	298_C	1.424	0.99
254_I	257_K	1.423	0.99
108_L	267_I	1.395	0.99
21_P	65_E	1.388	0.99
96_E	326_I	1.387	0.99
268_I	275_G	1.387	0.99
178_K	183_R	1.384	0.99
160_L	332_A	1.380	0.99
147_M	152_W	1.375	0.99
237_A	348_T	1.365	0.99
213_V	341_V	1.357	0.99
267_I	276_W	1.356	0.99
284_I	289_T	1.356	0.99
143_K	342_E	1.340	0.99
238_I	247_F	1.335	0.99
25_V	138_A	1.329	0.99
34_L	145_L	1.328	0.99
101_P	315_L	1.325	0.99
70_I	80_I	1.322	0.99
152_W	216_K	1.315	0.98
235_A	239_M	1.313	0.98
36_L	75_T	1.310	0.98
99_Y	316_R	1.308	0.98
247_F	296_V	1.301	0.98
311_K	322_Y	1.295	0.98
198_K	201_T	1.293	0.98
182_V	197_I	1.290	0.98
314_D	321_S	1.288	0.98
275_G	292_E	1.282	0.98
174_V	177_S	1.275	0.98
225_P	288_L	1.271	0.98
8_K	11_R	1.265	0.98
100_K	321_S	1.263	0.98
155_G	338_V	1.257	0.98
44_E	140_A	1.240	0.98
129_A	333_V	1.230	0.98
244_V	300_F	1.230	0.98
195_A	199_K	1.229	0.98
47_F	342_E	1.228	0.98
25_V	134_S	1.228	0.98
205_D	259_K	1.224	0.98
239_M	249_Y	1.223	0.98
111_I	315_L	1.220	0.98
232_A	236_K	1.208	0.97
154_A	177_S	1.206	0.97
159_S	210_I	1.206	0.97
21_P	85_R	1.205	0.97
243_A	333_V	1.200	0.97
149_T	353_A	1.199	0.97
10_F	347_L	1.188	0.97
251_L	255_A	1.185	0.97
54_Y	198_K	1.184	0.97
151_T	353_A	1.182	0.97
35_P	148_L	1.180	0.97
163_E	189_L	1.180	0.97
10_F	27_I	1.180	0.97
27_I	82_V	1.175	0.97
37_T	144_K	1.170	0.97
204_G	307_R	1.168	0.97
256_S	299_A	1.164	0.97
352_H	355_R	1.163	0.97
215_A	294_L	1.160	0.97
222_L	353_A	1.159	0.97
215_A	218_P	1.156	0.97
143_K	346_A	1.149	0.96
224_E	352_H	1.143	0.96
104_G	285_L	1.140	0.96
266_E	277_K	1.115	0.96
196_L	259_K	1.110	0.96
40_D	43_F	1.107	0.96
90_I	93_F	1.105	0.96
261_S	306_I	1.105	0.96
300_F	337_G	1.098	0.95
154_A	174_V	1.096	0.95
251_L	258_M	1.095	0.95
186_K	189_L	1.093	0.95
36_L	40_D	1.089	0.95
196_L	199_K	1.085	0.95
74_R	116_Y	1.080	0.95
305_S	325_V	1.079	0.95
166_S	189_L	1.076	0.95
300_F	333_V	1.075	0.95
57_G	88_D	1.073	0.95
194_E	198_K	1.073	0.95
210_I	253_F	1.064	0.94
49_R	61_K	1.062	0.94
285_L	290_N	1.060	0.94
10_F	142_A	1.058	0.94
142_A	347_L	1.056	0.94
176_C	187_K	1.053	0.94
99_Y	314_D	1.052	0.94
218_P	222_L	1.047	0.94
40_D	147_M	1.043	0.94
312_T	323_I	1.039	0.94
206_S	303_T	1.038	0.94
312_T	321_S	1.035	0.94
244_V	298_C	1.034	0.94
311_K	320_E	1.028	0.93
203_E	308_K	1.027	0.93
164_E	257_K	1.020	0.93
276_W	292_E	1.015	0.93
159_S	256_S	1.014	0.93
270_K	275_G	1.014	0.93
211_A	341_V	1.000	0.92
135_R	344_M	1.000	0.92
345_V	349_I	0.994	0.92
112_M	220_I	0.993	0.92
108_L	112_M	0.988	0.92
17_E	76_T	0.988	0.92
212_E	295_I	0.979	0.92
237_A	344_M	0.977	0.92
241_I	344_M	0.976	0.92
163_E	192_K	0.973	0.91
109_P	267_I	0.972	0.91
57_G	201_T	0.970	0.91
11_R	28_D	0.968	0.91
42_K	45_L	0.963	0.91
184_A	190_E	0.953	0.91
109_P	288_L	0.943	0.90
234_L	296_V	0.941	0.90
30_V	34_L	0.939	0.90
190_E	194_E	0.930	0.89
192_K	195_A	0.930	0.89
251_L	254_I	0.929	0.89
211_A	300_F	0.926	0.89
49_R	59_R	0.917	0.89
191_E	195_A	0.913	0.89
97_I	121_Y	0.912	0.88
33_G	74_R	0.911	0.88
92_S	95_D	0.907	0.88
236_K	240_S	0.904	0.88
95_D	121_Y	0.897	0.88
23_V	134_S	0.896	0.88
23_V	133_V	0.895	0.88
213_V	296_V	0.894	0.87
163_E	196_L	0.894	0.87
188_D	192_K	0.893	0.87
157_L	334_A	0.892	0.87
150_D	217_N	0.889	0.87
200_A	259_K	0.888	0.87
182_V	190_E	0.888	0.87
154_A	216_K	0.887	0.87
258_M	262_E	0.886	0.87
157_L	160_L	0.885	0.87
144_K	147_M	0.885	0.87
189_L	193_Y	0.885	0.87
161_G	207_Y	0.884	0.87
266_E	278_Y	0.878	0.87
268_I	320_E	0.875	0.86
210_I	246_G	0.874	0.86
25_V	81_A	0.870	0.86
156_H	212_E	0.869	0.86
163_E	193_Y	0.868	0.86
269_R	274_I	0.868	0.86
303_T	331_P	0.868	0.86
196_L	207_Y	0.864	0.86
229_K	242_P	0.864	0.86
9_L	355_R	0.863	0.86
104_G	281_A	0.860	0.85
100_K	312_T	0.858	0.85
316_R	319_E	0.854	0.85
71_F	122_R	0.842	0.84
131_E	226_V	0.839	0.84
154_A	214_I	0.837	0.84
161_G	196_L	0.837	0.84
213_V	298_C	0.833	0.84
274_I	313_I	0.832	0.83
66_I	70_I	0.828	0.83
65_E	83_I	0.828	0.83
155_G	213_V	0.824	0.83
307_R	326_I	0.823	0.83
303_T	333_V	0.822	0.83
270_K	273_R	0.820	0.83
180_S	187_K	0.820	0.83
230_M	352_H	0.817	0.82
234_L	348_T	0.812	0.82
215_A	296_V	0.811	0.82
32_A	359_I	0.810	0.82
334_A	337_G	0.809	0.82
109_P	285_L	0.808	0.82
84_V	134_S	0.806	0.81
205_D	308_K	0.804	0.81
17_E	20_G	0.802	0.81
251_L	263_A	0.799	0.81
190_E	193_Y	0.798	0.81
184_A	189_L	0.797	0.81
276_W	290_N	0.794	0.80
70_I	144_K	0.794	0.80
231_K	245_M	0.792	0.80
34_L	350_V	0.792	0.80
80_I	141_V	0.792	0.80
66_I	137_I	0.791	0.80
135_R	240_S	0.788	0.80
231_K	235_A	0.788	0.80
95_D	98_K	0.786	0.80
5_S	11_R	0.786	0.80
281_A	285_L	0.785	0.80
304_S	340_V	0.785	0.80
41_I	66_I	0.784	0.80
67_L	83_I	0.780	0.79
207_Y	259_K	0.779	0.79
96_E	100_K	0.778	0.79
228_D	233_E	0.778	0.79
222_L	349_I	0.776	0.79
157_L	335_I	0.772	0.79
42_K	63_E	0.770	0.78
204_G	308_K	0.768	0.78
175_L	179_Y	0.765	0.78
224_E	228_D	0.765	0.78
165_L	189_L	0.764	0.78
14_T	135_R	0.759	0.77
14_T	131_E	0.759	0.77
30_V	142_A	0.755	0.77
47_F	339_T	0.752	0.77
63_E	87_T	0.751	0.77
337_G	341_V	0.751	0.77
160_L	197_I	0.749	0.76
356_A	359_I	0.748	0.76
348_T	351_D	0.747	0.76
238_I	341_V	0.740	0.76
231_K	249_Y	0.738	0.75
6_F	347_L	0.737	0.75
23_V	84_V	0.737	0.75
26_V	81_A	0.736	0.75
45_L	133_V	0.731	0.75
233_E	348_T	0.729	0.75
109_P	290_N	0.729	0.75
198_K	202_Q	0.727	0.74
24_G	67_L	0.726	0.74
8_K	355_R	0.726	0.74
314_D	317_N	0.725	0.74
210_I	299_A	0.725	0.74
356_A	360_P	0.724	0.74
38_V	42_K	0.723	0.74
210_I	256_S	0.723	0.74
197_I	332_A	0.720	0.74
129_A	242_P	0.720	0.74
20_G	122_R	0.715	0.73
193_Y	197_I	0.715	0.73
255_A	281_A	0.715	0.73
239_M	296_V	0.711	0.73
289_T	294_L	0.710	0.73
162_P	257_K	0.709	0.72
228_D	355_R	0.705	0.72
42_K	49_R	0.703	0.72
38_V	65_E	0.703	0.72
10_F	350_V	0.701	0.72
199_K	202_Q	0.700	0.72
131_E	134_S	0.698	0.71
254_I	258_M	0.696	0.71
300_F	340_V	0.695	0.71
267_I	274_I	0.695	0.71
261_S	308_K	0.694	0.71
27_I	142_A	0.694	0.71
153_I	349_I	0.694	0.71
13_T	26_V	0.693	0.71
195_A	198_K	0.693	0.71
135_R	226_V	0.691	0.71
12_I	347_L	0.690	0.70
46_E	49_R	0.690	0.70
218_P	353_A	0.688	0.70
55_V	197_I	0.687	0.70
42_K	64_P	0.683	0.70
66_I	82_V	0.677	0.69
91_S	122_R	0.677	0.69
200_A	203_E	0.677	0.69
15_F	26_V	0.676	0.69
6_F	344_M	0.671	0.68
32_A	356_A	0.671	0.68
75_T	144_K	0.669	0.68
259_K	262_E	0.669	0.68
104_G	304_S	0.667	0.68
67_L	81_A	0.667	0.68
55_V	182_V	0.665	0.68
166_S	186_K	0.664	0.67
55_V	194_E	0.664	0.67
89_V	93_F	0.661	0.67
218_P	288_L	0.657	0.67
267_I	285_L	0.655	0.66
110_F	127_A	0.654	0.66
211_A	337_G	0.653	0.66
12_I	138_A	0.651	0.66
82_V	141_V	0.647	0.65
239_M	247_F	0.646	0.65
6_F	237_A	0.644	0.65
284_I	290_N	0.643	0.65
213_V	345_V	0.643	0.65
231_K	247_F	0.642	0.65
229_K	232_A	0.641	0.65
192_K	196_L	0.640	0.65
170_T	173_E	0.639	0.65
158_R	164_E	0.639	0.65
41_I	82_V	0.635	0.64
224_E	355_R	0.635	0.64
269_R	313_I	0.635	0.64
152_W	174_V	0.633	0.64
281_A	294_L	0.632	0.64
67_L	85_R	0.631	0.64
59_R	88_D	0.630	0.63
88_D	92_S	0.629	0.63
129_A	340_V	0.627	0.63
165_L	185_S	0.625	0.63
14_T	229_K	0.625	0.63
248_E	252_G	0.623	0.63
49_R	52_R	0.623	0.63
268_I	311_K	0.623	0.63
111_I	121_Y	0.621	0.62
44_E	47_F	0.621	0.62
14_T	126_R	0.620	0.62
143_K	153_I	0.619	0.62
171_F	175_L	0.619	0.62
38_V	63_E	0.619	0.62
14_T	134_S	0.611	0.61
197_I	200_A	0.611	0.61
354_M	357_G	0.609	0.61
126_R	131_E	0.608	0.61
333_V	340_V	0.607	0.61
214_I	295_I	0.607	0.61
75_T	141_V	0.606	0.60
294_L	349_I	0.605	0.60
24_G	81_A	0.605	0.60
269_R	272_N	0.603	0.60
255_A	258_M	0.602	0.60
71_F	120_D	0.600	0.60
152_W	217_N	0.600	0.60
234_L	238_I	0.599	0.60
156_H	214_I	0.598	0.59
241_I	340_V	0.596	0.59
268_I	274_I	0.595	0.59
228_D	352_H	0.595	0.59
156_H	165_L	0.595	0.59
33_G	116_Y	0.594	0.59
27_I	30_V	0.593	0.59
12_I	344_M	0.591	0.59
232_A	240_S	0.590	0.58
98_K	121_Y	0.589	0.58
166_S	171_F	0.589	0.58
144_K	148_L	0.588	0.58
78_S	110_F	0.587	0.58
156_H	174_V	0.586	0.58
234_L	247_F	0.584	0.58
158_R	210_I	0.583	0.58
12_I	27_I	0.583	0.58
47_F	178_K	0.582	0.57
164_E	254_I	0.582	0.57
72_N	121_Y	0.580	0.57
204_G	324_S	0.580	0.57
97_I	323_I	0.578	0.57
165_L	184_A	0.577	0.57
243_A	337_G	0.576	0.57
35_P	144_K	0.575	0.56
304_S	325_V	0.575	0.56
36_L	144_K	0.574	0.56
151_T	218_P	0.574	0.56
155_G	342_E	0.573	0.56
344_M	348_T	0.573	0.56
350_V	354_M	0.572	0.56
333_V	337_G	0.572	0.56
205_D	262_E	0.571	0.56
37_T	43_F	0.569	0.56
90_I	95_D	0.569	0.56
38_V	144_K	0.569	0.56
158_R	295_I	0.569	0.56
307_R	325_V	0.568	0.56
158_R	297_R	0.566	0.55
243_A	300_F	0.565	0.55
27_I	140_A	0.565	0.55
32_A	360_P	0.563	0.55
249_Y	296_V	0.560	0.55
155_G	341_V	0.560	0.55
34_L	144_K	0.560	0.55
36_L	43_F	0.557	0.54
197_I	201_T	0.555	0.54
71_F	76_T	0.555	0.54
36_L	66_I	0.555	0.54
53_L	180_S	0.554	0.54
227_F	242_P	0.554	0.54
39_E	43_F	0.553	0.54
76_T	122_R	0.553	0.54
248_E	253_F	0.552	0.53
81_A	134_S	0.552	0.53
201_T	204_G	0.551	0.53
215_A	234_L	0.549	0.53
111_I	116_Y	0.547	0.53
156_H	172_E	0.544	0.52
165_L	186_K	0.544	0.52
52_R	56_S	0.544	0.52
304_S	307_R	0.544	0.52
72_N	95_D	0.544	0.52
192_K	199_K	0.543	0.52
44_E	136_V	0.540	0.52
30_V	347_L	0.538	0.52
163_E	200_A	0.538	0.52
269_R	273_R	0.536	0.51
8_K	228_D	0.536	0.51
45_L	137_I	0.535	0.51
17_E	122_R	0.535	0.51
41_I	144_K	0.534	0.51
82_V	134_S	0.534	0.51
267_I	313_I	0.533	0.51
131_E	240_S	0.533	0.51
138_A	347_L	0.533	0.51
226_V	229_K	0.532	0.51
15_F	67_L	0.531	0.51
285_L	305_S	0.530	0.51
263_A	281_A	0.528	0.50
30_V	145_L	0.528	0.50
45_L	219_P	0.527	0.50
43_F	46_E	0.527	0.50
12_I	82_V	0.527	0.50
242_P	337_G	0.527	0.50
25_V	242_P	0.526	0.50
10_F	354_M	0.526	0.50
193_Y	196_L	0.525	0.50
20_G	76_T	0.525	0.50
155_G	211_A	0.522	0.50
293_D	296_V	0.521	0.49
52_R	55_V	0.521	0.49
226_V	240_S	0.520	0.49
127_A	131_E	0.520	0.49
219_P	353_A	0.520	0.49
126_R	135_R	0.519	0.49
281_A	290_N	0.518	0.49
222_L	352_H	0.518	0.49
64_P	70_I	0.516	0.49
305_S	340_V	0.516	0.49
182_V	194_E	0.516	0.49
113_K	224_E	0.515	0.49
173_E	176_C	0.514	0.48
94_Y	327_G	0.513	0.48
149_T	350_V	0.512	0.48
244_V	247_F	0.510	0.48
210_I	295_I	0.510	0.48
331_P	337_G	0.507	0.48
59_R	87_T	0.505	0.47
215_A	222_L	0.505	0.47
281_A	284_I	0.503	0.47
38_V	73_N	0.503	0.47
96_E	99_Y	0.503	0.47
55_V	160_L	0.502	0.47
32_A	78_S	0.501	0.47
38_V	66_I	0.501	0.47
156_H	177_S	0.501	0.47
68_S	81_A	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	0.7059	100	0.084	Contact Map
2o11A	4	0.9207	100	0.088	Contact Map
4ob9A	2	0.7954	100	0.09	Contact Map
1q1lA	4	0.8363	100	0.091	Contact Map
1sq1A	4	0.7366	100	0.092	Contact Map
4ecdA	3	0.6829	100	0.095	Contact Map
1qxoA	4	0.9386	100	0.098	Contact Map
1um0A	4	0.9156	100	0.099	Contact Map
4wdcA	1	0.3964	29.1	0.98	Contact Map
2ekmA	3	0.1381	22	0.981	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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