NEMA - ECOLI - GREMLIN Contacts

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NEMA - N-ethylmaleimide reductase

UniProt:	P77258	Sequences: MSSEKLYSPLKVGAITAANRIFMAPLTRLRSIEPGDIPTPLMAEYYRQRASAGLIISEATQISAQAKGYAGAPGIHSPEQIAAWKKITAGVHAENGHMAVQLWHTGRISHASLQPGGQAPVAPSALSAGTRTSLRDENGQAIRVETSMPRALELEEIPGIVNDFRQAIANAREAGFDLVELHSAHGYLLHQFLSPSSNHRTDQYGGSVENRARLVLEVVDAGIEEWGADRIGIRVSPIGTFQNTDNGPNEEADALYLIEQLGKRGIAYLHMSEPDWAGGEPYTDAFREKVRARFHGPIIGAGAYTVEKAETLIGKGLIDAVAFGRDWIANPDLVARLQRKAELNPQRAESFYGGGAEGYTDYPTL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13546
Length:	365 (326)
Sequences:	11202 (7410)
Seq/√Len:	410.4

ECOLI - NEMA FADH
BACSU - YQIG NAMA
HALSA - Q9HQZ6
SULSO - Q97WT9 Q97X55

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
154_L	203_Q	3.611	1.00
220_D	264_R	3.446	1.00
99_A	178_L	3.091	1.00
63_S	163_D	2.935	1.00
207_S	210_N	2.555	1.00
22_F	320_A	2.515	1.00
169_A	225_E	2.501	1.00
150_R	156_E	2.488	1.00
165_R	221_A	2.413	1.00
260_Q	263_K	2.392	1.00
11_K	16_T	2.380	1.00
91_V	98_M	2.359	1.00
40_P	86_K	2.333	1.00
152_L	160_I	2.332	1.00
288_E	317_L	2.329	1.00
10_L	320_A	2.283	1.00
311_T	315_K	2.172	1.00
52_A	327_W	2.164	1.00
78_P	170_N	2.146	1.00
232_G	268_Y	2.127	1.00
152_L	156_E	2.124	1.00
262_G	295_H	2.122	1.00
92_H	177_D	2.103	1.00
47_R	94_E	2.061	1.00
14_A	229_D	2.035	1.00
172_R	226_W	1.987	1.00
299_I	322_A	1.980	1.00
330_N	336_R	1.974	1.00
7_Y	338_Q	1.957	1.00
162_N	166_Q	1.918	1.00
189_L	215_V	1.912	1.00
335_A	339_R	1.886	1.00
169_A	173_E	1.881	1.00
259_E	293_R	1.869	1.00
47_R	90_G	1.856	1.00
310_E	314_G	1.839	1.00
189_L	214_L	1.835	1.00
60_T	100_V	1.829	1.00
85_K	89_A	1.824	1.00
166_Q	170_N	1.797	1.00
159_G	163_D	1.782	1.00
165_R	225_E	1.763	1.00
154_L	158_P	1.732	1.00
158_P	217_E	1.727	1.00
111_A	147_S	1.711	1.00
81_I	173_E	1.710	1.00
5_K	8_S	1.689	1.00
172_R	227_G	1.683	1.00
215_V	233_I	1.681	1.00
204_Y	217_E	1.675	1.00
89_A	93_A	1.662	1.00
256_Y	260_Q	1.657	1.00
183_S	233_I	1.652	1.00
210_N	213_R	1.652	1.00
121_V	152_L	1.650	1.00
5_K	310_E	1.630	1.00
88_T	176_F	1.605	1.00
154_L	204_Y	1.603	1.00
189_L	218_V	1.591	1.00
154_L	157_I	1.588	1.00
153_E	156_E	1.574	1.00
78_P	173_E	1.564	1.00
288_E	292_A	1.541	1.00
43_A	86_K	1.532	1.00
162_N	221_A	1.530	1.00
212_A	260_Q	1.530	1.00
168_I	222_G	1.529	1.00
65_Q	159_G	1.522	1.00
195_P	248_P	1.495	1.00
84_W	176_F	1.477	1.00
40_P	44_E	1.471	1.00
341_A	344_N	1.469	1.00
158_P	203_Q	1.468	1.00
22_F	299_I	1.459	1.00
226_W	230_R	1.453	1.00
291_R	319_D	1.452	1.00
172_R	230_R	1.443	1.00
215_V	257_L	1.441	1.00
75_I	100_V	1.441	1.00
48_Q	332_D	1.424	1.00
44_E	47_R	1.416	1.00
333_L	337_L	1.413	1.00
38_P	84_W	1.399	1.00
57_S	98_M	1.392	1.00
212_A	256_Y	1.388	1.00
26_L	324_G	1.375	1.00
166_Q	169_A	1.372	1.00
125_A	151_A	1.370	1.00
81_I	170_N	1.366	1.00
216_L	260_Q	1.365	1.00
335_A	338_Q	1.361	1.00
18_A	97_H	1.358	1.00
32_I	35_G	1.351	1.00
23_M	49_R	1.350	1.00
5_K	314_G	1.349	1.00
21_I	334_V	1.345	1.00
75_I	167_A	1.341	1.00
119_A	150_R	1.327	1.00
216_L	264_R	1.320	1.00
289_K	293_R	1.318	1.00
309_A	323_F	1.316	1.00
102_L	167_A	1.314	1.00
250_E	253_D	1.311	1.00
165_R	169_A	1.309	1.00
208_V	212_A	1.301	1.00
43_A	90_G	1.295	1.00
219_V	261_L	1.288	1.00
304_Y	312_L	1.282	1.00
306_V	337_L	1.281	1.00
161_V	221_A	1.257	1.00
221_A	224_E	1.251	1.00
10_L	297_P	1.250	1.00
183_S	189_L	1.244	1.00
17_A	54_L	1.235	1.00
165_R	224_E	1.230	1.00
306_V	340_K	1.229	1.00
126_L	199_H	1.223	1.00
212_A	216_L	1.213	1.00
301_A	322_A	1.212	1.00
158_P	204_Y	1.209	1.00
151_A	201_T	1.207	1.00
260_Q	264_R	1.205	1.00
221_A	225_E	1.205	1.00
23_M	55_I	1.202	1.00
156_E	159_G	1.188	1.00
83_A	86_K	1.180	1.00
47_R	93_A	1.175	1.00
327_W	334_V	1.175	1.00
262_G	296_G	1.174	1.00
15_I	97_H	1.170	1.00
43_A	47_R	1.167	1.00
289_K	292_A	1.166	1.00
216_L	220_D	1.165	1.00
185_H	272_S	1.160	1.00
162_N	165_R	1.156	1.00
37_I	79_E	1.150	1.00
100_V	171_A	1.146	1.00
312_L	318_I	1.136	1.00
213_R	217_E	1.134	1.00
126_L	149_P	1.128	1.00
32_I	39_T	1.127	1.00
251_E	289_K	1.122	1.00
300_G	318_I	1.120	1.00
190_H	194_S	1.120	1.00
97_H	177_D	1.118	1.00
68_G	105_T	1.117	1.00
89_A	92_H	1.113	1.00
57_S	176_F	1.111	1.00
161_V	217_E	1.110	1.00
226_W	231_I	1.101	1.00
208_V	256_Y	1.094	1.00
92_H	98_M	1.093	1.00
88_T	98_M	1.083	1.00
28_R	41_L	1.083	1.00
284_D	312_L	1.076	1.00
299_I	320_A	1.076	1.00
183_S	215_V	1.073	1.00
255_L	293_R	1.067	1.00
81_I	174_A	1.064	1.00
36_D	67_K	1.063	1.00
203_Q	213_R	1.057	1.00
161_V	165_R	1.052	1.00
78_P	82_A	1.051	1.00
233_I	266_I	1.050	1.00
32_I	37_I	1.050	1.00
306_V	310_E	1.040	1.00
220_D	224_E	1.036	1.00
256_Y	259_E	1.032	1.00
39_T	42_M	1.030	1.00
86_K	89_A	1.021	1.00
11_K	14_A	1.019	1.00
38_P	83_A	1.015	1.00
163_D	166_Q	1.013	1.00
251_E	255_L	1.009	1.00
161_V	218_V	1.005	1.00
17_A	53_G	1.002	1.00
61_Q	72_A	0.999	1.00
51_S	335_A	0.999	1.00
122_A	125_A	0.999	1.00
166_Q	225_E	0.997	1.00
73_P	84_W	0.996	1.00
23_M	327_W	0.994	1.00
157_I	161_V	0.990	1.00
17_A	320_A	0.989	1.00
43_A	87_I	0.988	1.00
107_R	197_S	0.986	1.00
219_V	266_I	0.986	1.00
5_K	313_I	0.977	1.00
235_V	254_A	0.974	1.00
17_A	22_F	0.973	1.00
88_T	174_A	0.970	1.00
158_P	161_V	0.967	1.00
318_I	321_V	0.960	1.00
77_S	80_Q	0.958	1.00
121_V	150_R	0.952	1.00
212_A	257_L	0.950	1.00
304_Y	321_V	0.948	1.00
180_E	270_H	0.945	1.00
52_A	334_V	0.943	1.00
233_I	261_L	0.941	1.00
255_L	289_K	0.938	1.00
74_G	80_Q	0.937	1.00
178_L	232_G	0.936	1.00
196_S	247_G	0.928	1.00
19_N	53_G	0.926	1.00
193_L	215_V	0.925	1.00
155_E	158_P	0.925	1.00
127_S	148_M	0.923	1.00
258_I	290_V	0.923	1.00
85_K	173_E	0.922	1.00
255_L	259_E	0.920	1.00
204_Y	220_D	0.914	1.00
98_M	177_D	0.911	1.00
75_I	171_A	0.906	1.00
181_L	222_G	0.903	1.00
54_L	99_A	0.900	1.00
21_I	333_L	0.900	1.00
188_L	214_L	0.899	1.00
24_A	270_H	0.897	1.00
258_I	269_L	0.895	1.00
4_E	310_E	0.892	1.00
13_G	267_A	0.889	1.00
6_L	309_A	0.886	1.00
18_A	96_G	0.885	1.00
181_L	218_V	0.883	1.00
37_I	80_Q	0.881	1.00
212_A	215_V	0.880	1.00
38_P	73_P	0.879	1.00
98_M	176_F	0.877	1.00
222_G	231_I	0.877	1.00
268_Y	299_I	0.872	1.00
151_A	199_H	0.870	1.00
158_P	221_A	0.867	1.00
208_V	260_Q	0.867	1.00
82_A	85_K	0.865	1.00
219_V	264_R	0.854	1.00
307_E	340_K	0.852	1.00
161_V	214_L	0.851	1.00
15_I	99_A	0.848	1.00
123_P	197_S	0.846	1.00
223_I	267_A	0.846	1.00
217_E	220_D	0.846	1.00
59_A	103_W	0.844	1.00
107_R	149_P	0.844	1.00
161_V	204_Y	0.843	1.00
10_L	13_G	0.842	1.00
269_L	296_G	0.842	1.00
208_V	253_D	0.841	1.00
168_I	226_W	0.837	1.00
54_L	178_L	0.834	1.00
234_R	270_H	0.831	1.00
23_M	26_L	0.829	1.00
99_A	232_G	0.827	1.00
24_A	322_A	0.824	1.00
310_E	313_I	0.821	1.00
56_I	99_A	0.816	1.00
153_E	158_P	0.815	1.00
258_I	294_F	0.814	1.00
150_R	153_E	0.814	1.00
209_E	256_Y	0.811	1.00
206_G	211_R	0.811	1.00
181_L	219_V	0.809	1.00
123_P	126_L	0.807	1.00
323_F	326_D	0.804	1.00
271_M	298_I	0.803	1.00
57_S	84_W	0.803	1.00
249_N	257_L	0.803	1.00
90_G	94_E	0.802	1.00
332_D	336_R	0.801	1.00
40_P	43_A	0.801	1.00
105_T	109_S	0.801	1.00
24_A	324_G	0.800	1.00
14_A	230_R	0.800	1.00
61_Q	76_H	0.799	1.00
304_Y	309_A	0.799	1.00
154_L	161_V	0.798	1.00
38_P	87_I	0.798	1.00
259_E	263_K	0.796	1.00
281_P	308_K	0.794	1.00
237_P	271_M	0.784	1.00
307_E	311_T	0.784	1.00
23_M	52_A	0.783	1.00
77_S	81_I	0.782	1.00
271_M	290_V	0.781	1.00
160_I	163_D	0.777	1.00
18_A	51_S	0.776	1.00
203_Q	210_N	0.767	1.00
61_Q	67_K	0.764	1.00
44_E	48_Q	0.761	1.00
214_L	218_V	0.760	1.00
15_I	178_L	0.760	1.00
165_R	218_V	0.759	1.00
122_A	126_L	0.757	1.00
56_I	178_L	0.753	1.00
57_S	100_V	0.749	1.00
190_H	254_A	0.749	1.00
170_N	173_E	0.748	1.00
273_E	283_T	0.747	1.00
172_R	225_E	0.745	1.00
63_S	160_I	0.745	1.00
172_R	229_D	0.745	1.00
4_E	8_S	0.743	1.00
62_I	164_F	0.741	1.00
223_I	231_I	0.740	1.00
31_S	42_M	0.740	1.00
323_F	327_W	0.739	1.00
157_I	215_V	0.738	1.00
323_F	333_L	0.727	1.00
196_S	241_F	0.723	1.00
182_H	187_Y	0.722	1.00
152_L	157_I	0.720	1.00
76_H	80_Q	0.720	1.00
249_N	252_A	0.718	1.00
45_Y	49_R	0.717	1.00
125_A	148_M	0.716	1.00
37_I	77_S	0.712	1.00
232_G	299_I	0.711	1.00
124_S	199_H	0.710	1.00
108_I	128_A	0.710	1.00
223_I	227_G	0.707	1.00
90_G	93_A	0.705	1.00
253_D	256_Y	0.704	1.00
46_Y	55_I	0.703	1.00
16_T	97_H	0.701	1.00
21_I	52_A	0.701	1.00
50_A	94_E	0.699	1.00
52_A	55_I	0.698	1.00
85_K	88_T	0.698	1.00
309_A	337_L	0.695	1.00
252_A	255_L	0.694	1.00
169_A	172_R	0.692	1.00
62_I	218_V	0.691	1.00
249_N	254_A	0.688	1.00
290_V	294_F	0.688	1.00
60_T	75_I	0.687	1.00
82_A	86_K	0.684	1.00
92_H	97_H	0.684	1.00
206_G	210_N	0.684	1.00
305_T	308_K	0.682	1.00
284_D	300_G	0.680	1.00
37_I	83_A	0.677	1.00
270_H	322_A	0.676	1.00
50_A	91_V	0.675	0.99
108_I	242_Q	0.674	0.99
311_T	314_G	0.673	0.99
209_E	260_Q	0.671	0.99
112_S	144_V	0.670	0.99
249_N	253_D	0.670	0.99
126_L	130_T	0.669	0.99
22_F	56_I	0.666	0.99
22_F	54_L	0.663	0.99
182_H	185_H	0.657	0.99
219_V	233_I	0.657	0.99
285_A	288_E	0.655	0.99
62_I	103_W	0.655	0.99
100_V	176_F	0.655	0.99
312_L	317_L	0.654	0.99
91_V	96_G	0.651	0.99
25_P	234_R	0.651	0.99
64_A	76_H	0.651	0.99
63_S	159_G	0.651	0.99
262_G	294_F	0.649	0.99
66_A	104_H	0.648	0.99
193_L	212_A	0.648	0.99
12_V	297_P	0.647	0.99
233_I	269_L	0.646	0.99
290_V	298_I	0.646	0.99
17_A	97_H	0.642	0.99
241_F	247_G	0.639	0.99
49_R	332_D	0.639	0.99
203_Q	217_E	0.637	0.99
31_S	73_P	0.636	0.99
130_T	146_T	0.634	0.99
326_D	333_L	0.633	0.99
62_I	163_D	0.631	0.99
75_I	170_N	0.626	0.99
268_Y	320_A	0.625	0.99
18_A	338_Q	0.623	0.99
165_R	222_G	0.623	0.99
190_H	239_G	0.622	0.99
119_A	147_S	0.620	0.99
107_R	191_Q	0.620	0.99
7_Y	334_V	0.618	0.99
193_L	257_L	0.617	0.99
335_A	341_A	0.616	0.99
300_G	321_V	0.616	0.99
219_V	231_I	0.615	0.99
22_F	322_A	0.613	0.99
189_L	222_G	0.611	0.99
65_Q	160_I	0.610	0.99
208_V	249_N	0.608	0.99
329_A	344_N	0.608	0.99
9_P	16_T	0.608	0.99
308_K	311_T	0.607	0.99
86_K	90_G	0.606	0.99
258_I	293_R	0.603	0.99
261_L	266_I	0.603	0.99
270_H	301_A	0.602	0.99
24_A	56_I	0.599	0.99
242_Q	247_G	0.596	0.99
154_L	217_E	0.596	0.99
54_L	97_H	0.595	0.99
121_V	156_E	0.593	0.99
75_I	80_Q	0.593	0.99
81_I	85_K	0.590	0.99
323_F	337_L	0.588	0.99
270_H	299_I	0.587	0.99
81_I	88_T	0.587	0.99
72_A	105_T	0.587	0.99
18_A	95_N	0.587	0.99
218_V	221_A	0.585	0.99
12_V	17_A	0.584	0.99
311_T	317_L	0.583	0.99
237_P	286_F	0.583	0.99
227_G	230_R	0.578	0.98
223_I	228_A	0.577	0.98
164_F	189_L	0.577	0.98
313_I	321_V	0.573	0.98
152_L	188_L	0.573	0.98
254_A	290_V	0.571	0.98
308_K	312_L	0.569	0.98
158_P	162_N	0.569	0.98
65_Q	114_Q	0.566	0.98
157_I	189_L	0.566	0.98
239_G	276_W	0.565	0.98
167_A	170_N	0.564	0.98
73_P	87_I	0.564	0.98
223_I	226_W	0.563	0.98
326_D	329_A	0.562	0.98
165_R	226_W	0.561	0.98
82_A	89_A	0.559	0.98
51_S	338_Q	0.559	0.98
45_Y	58_E	0.557	0.98
257_L	260_Q	0.555	0.98
160_I	188_L	0.554	0.98
99_A	267_A	0.554	0.98
208_V	257_L	0.553	0.98
25_P	270_H	0.549	0.98
27_T	68_G	0.549	0.98
126_L	129_G	0.546	0.98
180_E	232_G	0.544	0.98
26_L	328_I	0.544	0.98
88_T	100_V	0.543	0.98
216_L	256_Y	0.542	0.98
70_A	113_L	0.541	0.98
65_Q	163_D	0.541	0.98
160_I	164_F	0.540	0.98
232_G	270_H	0.539	0.98
332_D	335_A	0.538	0.98
113_L	116_G	0.537	0.98
66_A	105_T	0.537	0.98
21_I	327_W	0.536	0.97
294_F	297_P	0.535	0.97
42_M	58_E	0.535	0.97
23_M	324_G	0.534	0.97
205_G	211_R	0.534	0.97
104_H	160_I	0.534	0.97
222_G	225_E	0.533	0.97
235_V	271_M	0.531	0.97
179_V	226_W	0.529	0.97
181_L	231_I	0.527	0.97
154_L	202_D	0.527	0.97
222_G	226_W	0.525	0.97
313_I	318_I	0.520	0.97
122_A	197_S	0.519	0.97
61_Q	105_T	0.519	0.97
306_V	333_L	0.519	0.97
291_R	298_I	0.518	0.97
7_Y	337_L	0.517	0.97
157_I	204_Y	0.516	0.97
309_A	321_V	0.515	0.97
125_A	199_H	0.514	0.97
57_S	60_T	0.514	0.97
29_L	69_Y	0.513	0.97
223_I	264_R	0.513	0.97
72_A	103_W	0.512	0.97
194_S	239_G	0.511	0.97
114_Q	120_P	0.511	0.97
55_I	96_G	0.510	0.97
181_L	189_L	0.509	0.97
13_G	223_I	0.508	0.97
38_P	42_M	0.508	0.97
68_G	103_W	0.507	0.96
24_A	327_W	0.505	0.96
252_A	256_Y	0.502	0.96
46_Y	58_E	0.502	0.96
336_R	341_A	0.502	0.96
236_S	239_G	0.501	0.96
121_V	160_I	0.500	0.96

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
4e2bA	1	0.9808	100	0.21	Contact Map
2hsaB	2	0.9781	100	0.211	Contact Map
4qnwA	1	0.9479	100	0.219	Contact Map
3tjlA	2	0.9808	100	0.226	Contact Map
4tmbA	2	0.9781	100	0.227	Contact Map
4jicA	1	0.9753	100	0.229	Contact Map
4gbuA	2	0.9781	100	0.238	Contact Map
4awtA	1	0.9836	100	0.241	Contact Map
4a3uA	1	0.9671	100	0.245	Contact Map
1vyrA	1	0.989	100	0.25	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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