Q9HRL8 - HALSA - GREMLIN Contacts

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Q9HRL8 - NADH dehydrogenase/oxidoreductase

UniProt:	Q9HRL8	Sequences: MLTMTAFAGPWAKRKITAAFTDRISVNRVGPWGLGTIVVDSVRLLSKELVIPEGVDRPAYDLAPIVLAGSALFAFAVIPMGNGIQLADPEVGLVFVFAIASIASLGLIMGGYASNNKYSLLGGLRAVAQNIAYEIPLVLTAASVVLFTGTLQLSEIVAIQQNTTLATIAGVRIPAWFAFVNPFAFVLFVVANLAEVGRNPFDTPEAPTEIVAGYQTEYSSAYFVLFYLGEFIHIFLGGAIIATLFLGGPGGPFLPGFVWFTIKIWAVYFFTQWCRSAIPRVRIDQLIGIGWKGLLVLSFANLVLTATALGVTGL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	314 (294)
Sequences:	5221 (2443)
Seq/√Len:	142.5

ECOLI - NUOH HYFC HYCD
HALSA - Q9HRL8
SULSO - Q980H2 Q97ZA4

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
150_T	155_E	4.921	1.00
185_F	241_I	3.941	1.00
10_P	37_I	3.887	1.00
17_T	276_S	3.810	1.00
189_V	270_F	3.646	1.00
239_A	260_F	3.516	1.00
20_F	276_S	3.412	1.00
242_A	260_F	3.226	1.00
239_A	264_I	2.797	1.00
119_S	216_T	2.711	1.00
246_L	267_V	2.518	1.00
193_L	274_C	2.464	1.00
188_F	241_I	2.451	1.00
38_V	41_S	2.427	1.00
178_A	246_L	2.418	1.00
159_I	177_F	2.417	1.00
71_A	233_H	2.416	1.00
49_L	222_Y	2.379	1.00
148_T	177_F	2.378	1.00
155_E	158_A	2.325	1.00
196_V	271_T	2.312	1.00
178_A	185_F	2.204	1.00
97_F	138_V	2.096	1.00
71_A	232_I	2.084	1.00
212_A	215_Q	2.077	1.00
74_A	236_L	2.076	1.00
67_L	106_G	2.060	1.00
238_G	267_V	2.051	1.00
235_F	268_Y	1.990	1.00
111_G	123_G	1.945	1.00
255_P	259_W	1.935	1.00
158_A	161_Q	1.922	1.00
146_L	306_A	1.921	1.00
45_L	224_V	1.884	1.00
59_A	109_M	1.883	1.00
192_N	237_G	1.868	1.00
189_V	193_L	1.846	1.00
190_V	294_L	1.812	1.00
73_F	95_F	1.779	1.00
9_G	268_Y	1.772	1.00
67_L	229_G	1.748	1.00
16_I	269_F	1.737	1.00
8_A	37_I	1.720	1.00
184_A	245_F	1.698	1.00
95_F	99_I	1.681	1.00
43_R	47_K	1.680	1.00
181_N	305_T	1.674	1.00
85_Q	154_S	1.665	1.00
6_A	232_I	1.655	1.00
162_N	175_A	1.644	1.00
266_A	270_F	1.640	1.00
175_A	179_F	1.621	1.00
12_A	269_F	1.620	1.00
77_V	95_F	1.579	1.00
143_S	184_A	1.552	1.00
20_F	273_W	1.539	1.00
148_T	159_I	1.539	1.00
152_Q	155_E	1.527	1.00
255_P	258_V	1.527	1.00
206_A	210_I	1.522	1.00
129_Q	286_L	1.510	1.00
215_Q	223_F	1.491	1.00
2_L	232_I	1.461	1.00
96_V	100_A	1.459	1.00
136_P	191_A	1.457	1.00
203_T	286_L	1.436	1.00
192_N	241_I	1.428	1.00
184_A	301_N	1.423	1.00
16_I	272_Q	1.408	1.00
144_V	156_I	1.405	1.00
19_A	24_I	1.399	1.00
273_W	277_A	1.384	1.00
126_A	204_P	1.360	1.00
223_F	227_Y	1.354	1.00
176_W	263_K	1.347	1.00
6_A	228_L	1.340	1.00
16_I	20_F	1.340	1.00
66_V	70_S	1.319	1.00
24_I	27_N	1.296	1.00
89_P	95_F	1.293	1.00
141_A	244_L	1.281	1.00
146_L	309_L	1.271	1.00
206_A	209_E	1.261	1.00
289_I	294_L	1.259	1.00
139_L	302_L	1.257	1.00
5_T	265_W	1.253	1.00
61_D	222_Y	1.247	1.00
203_T	281_V	1.245	1.00
116_N	119_S	1.238	1.00
122_G	204_P	1.238	1.00
136_P	298_S	1.234	1.00
81_G	84_I	1.231	1.00
31_P	35_G	1.230	1.00
242_A	246_L	1.229	1.00
137_L	191_A	1.204	1.00
194_A	201_F	1.194	1.00
154_S	158_A	1.188	1.00
36_T	40_D	1.187	1.00
52_P	60_Y	1.178	1.00
283_I	287_I	1.175	1.00
110_G	113_A	1.171	1.00
148_T	156_I	1.168	1.00
241_I	267_V	1.166	1.00
155_E	159_I	1.164	1.00
188_F	237_G	1.159	1.00
234_I	271_T	1.155	0.99
19_A	27_N	1.154	0.99
63_A	110_G	1.153	0.99
108_I	127_V	1.144	0.99
15_K	19_A	1.142	0.99
211_V	216_T	1.142	0.99
60_Y	64_P	1.132	0.99
234_I	268_Y	1.131	0.99
88_D	154_S	1.127	0.99
182_P	186_V	1.126	0.99
139_L	299_F	1.122	0.99
136_P	290_G	1.119	0.99
63_A	109_M	1.115	0.99
143_S	298_S	1.108	0.99
160_Q	177_F	1.107	0.99
260_F	264_I	1.104	0.99
45_L	221_A	1.103	0.99
88_D	152_Q	1.092	0.99
13_K	198_R	1.091	0.99
254_L	258_V	1.086	0.99
147_F	181_N	1.083	0.99
76_A	95_F	1.074	0.99
221_A	224_V	1.073	0.99
42_V	46_S	1.072	0.99
182_P	185_F	1.071	0.99
269_F	273_W	1.070	0.99
104_S	130_N	1.069	0.99
13_K	275_R	1.066	0.99
8_A	34_L	1.060	0.99
5_T	235_F	1.060	0.99
176_W	179_F	1.059	0.99
19_A	32_W	1.055	0.99
246_L	263_K	1.045	0.99
242_A	264_I	1.045	0.99
186_V	190_V	1.041	0.99
203_T	210_I	1.041	0.99
11_W	34_L	1.038	0.99
175_A	180_V	1.035	0.99
12_A	16_I	1.033	0.99
75_F	236_L	1.033	0.99
52_P	55_V	1.033	0.99
105_L	283_I	1.032	0.99
73_F	99_I	1.030	0.99
150_T	156_I	1.025	0.99
196_V	237_G	1.023	0.99
160_Q	247_G	1.018	0.99
4_M	38_V	1.015	0.99
239_A	243_T	1.014	0.99
38_V	42_V	1.004	0.99
203_T	285_Q	0.996	0.98
158_A	162_N	0.990	0.98
248_G	263_K	0.990	0.98
51_I	61_D	0.990	0.98
187_L	297_L	0.989	0.98
282_R	287_I	0.988	0.98
68_A	72_L	0.983	0.98
10_P	231_F	0.977	0.98
27_N	32_W	0.975	0.98
93_L	145_V	0.969	0.98
267_V	270_F	0.966	0.98
124_L	204_P	0.965	0.98
12_A	272_Q	0.963	0.98
143_S	302_L	0.961	0.98
136_P	295_L	0.960	0.98
92_G	152_Q	0.959	0.98
110_G	226_F	0.959	0.98
147_F	309_L	0.957	0.98
110_G	218_Y	0.944	0.98
11_W	37_I	0.933	0.98
161_Q	250_G	0.930	0.98
210_I	214_Y	0.923	0.97
41_S	46_S	0.922	0.97
63_A	113_A	0.916	0.97
68_A	229_G	0.916	0.97
44_L	224_V	0.915	0.97
270_F	274_C	0.913	0.97
77_V	92_G	0.912	0.97
63_A	106_G	0.906	0.97
18_A	24_I	0.905	0.97
202_D	280_R	0.905	0.97
68_A	225_L	0.900	0.97
273_W	278_I	0.898	0.97
181_N	301_N	0.896	0.97
199_N	278_I	0.892	0.97
8_A	38_V	0.891	0.97
301_N	305_T	0.890	0.97
70_S	99_I	0.880	0.97
140_T	191_A	0.874	0.97
85_Q	88_D	0.873	0.96
41_S	45_L	0.870	0.96
140_T	187_L	0.866	0.96
206_A	280_R	0.866	0.96
29_V	36_T	0.856	0.96
198_R	202_D	0.855	0.96
157_V	249_P	0.853	0.96
179_F	182_P	0.848	0.96
256_G	259_W	0.848	0.96
93_L	153_L	0.847	0.96
281_V	285_Q	0.842	0.96
67_L	226_F	0.840	0.96
185_F	245_F	0.839	0.96
189_V	271_T	0.839	0.96
41_S	228_L	0.837	0.96
143_S	181_N	0.834	0.95
80_M	86_L	0.831	0.95
89_P	96_V	0.826	0.95
93_L	156_I	0.819	0.95
202_D	205_E	0.818	0.95
17_T	275_R	0.817	0.95
44_L	227_Y	0.808	0.95
15_K	47_K	0.807	0.95
7_F	17_T	0.801	0.94
129_Q	133_Y	0.800	0.94
61_D	65_I	0.800	0.94
160_Q	176_W	0.793	0.94
129_Q	197_G	0.792	0.94
188_F	245_F	0.792	0.94
188_F	192_N	0.792	0.94
215_Q	227_Y	0.791	0.94
297_L	301_N	0.786	0.94
71_A	236_L	0.778	0.93
21_T	26_V	0.778	0.93
3_T	72_L	0.776	0.93
305_T	309_L	0.772	0.93
159_I	162_N	0.771	0.93
27_N	33_G	0.770	0.93
96_V	153_L	0.769	0.93
97_F	141_A	0.767	0.93
224_V	228_L	0.766	0.93
68_A	216_T	0.764	0.93
78_I	239_A	0.763	0.93
10_P	13_K	0.758	0.93
86_L	228_L	0.757	0.92
136_P	294_L	0.756	0.92
195_E	198_R	0.754	0.92
112_Y	115_N	0.752	0.92
208_T	211_V	0.751	0.92
59_A	63_A	0.750	0.92
220_S	224_V	0.746	0.92
40_D	43_R	0.745	0.92
209_E	280_R	0.742	0.92
11_W	17_T	0.742	0.92
11_W	19_A	0.740	0.92
88_D	92_G	0.739	0.92
8_A	11_W	0.736	0.91
194_A	286_L	0.736	0.91
24_I	28_R	0.736	0.91
62_L	65_I	0.734	0.91
56_D	115_N	0.733	0.91
193_L	271_T	0.733	0.91
30_G	35_G	0.732	0.91
189_V	241_I	0.731	0.91
204_P	214_Y	0.729	0.91
5_T	8_A	0.728	0.91
106_G	109_M	0.728	0.91
36_T	43_R	0.726	0.91
89_P	226_F	0.725	0.91
60_Y	218_Y	0.724	0.91
140_T	143_S	0.724	0.91
247_G	263_K	0.724	0.91
82_N	158_A	0.715	0.90
17_T	22_D	0.714	0.90
143_S	301_N	0.714	0.90
35_G	38_V	0.713	0.90
145_V	151_L	0.712	0.90
280_R	284_D	0.712	0.90
77_V	96_V	0.711	0.90
13_K	231_F	0.711	0.90
14_R	205_E	0.711	0.90
126_A	206_A	0.707	0.90
157_V	248_G	0.704	0.90
132_A	287_I	0.703	0.89
77_V	80_M	0.702	0.89
116_N	271_T	0.701	0.89
107_L	126_A	0.698	0.89
14_R	40_D	0.697	0.89
5_T	268_Y	0.696	0.89
282_R	285_Q	0.696	0.89
258_V	262_I	0.695	0.89
288_G	292_K	0.694	0.89
114_S	218_Y	0.691	0.89
304_L	307_T	0.689	0.89
126_A	210_I	0.688	0.88
242_A	263_K	0.688	0.88
137_L	290_G	0.685	0.88
260_F	263_K	0.683	0.88
187_L	190_V	0.679	0.88
7_F	11_W	0.677	0.88
67_L	103_A	0.675	0.87
284_D	287_I	0.675	0.87
13_K	17_T	0.672	0.87
5_T	232_I	0.671	0.87
41_S	224_V	0.668	0.87
100_A	103_A	0.665	0.87
199_N	208_T	0.664	0.87
16_I	273_W	0.661	0.86
137_L	140_T	0.660	0.86
205_E	213_G	0.657	0.86
64_P	218_Y	0.656	0.86
257_F	261_T	0.656	0.86
266_A	269_F	0.656	0.86
176_W	248_G	0.654	0.86
142_A	145_V	0.651	0.86
189_V	273_W	0.650	0.85
178_A	182_P	0.644	0.85
133_Y	194_A	0.642	0.85
67_L	107_L	0.631	0.84
7_F	41_S	0.630	0.84
122_G	126_A	0.630	0.84
212_A	227_Y	0.630	0.84
26_V	36_T	0.628	0.83
249_P	263_K	0.627	0.83
119_S	212_A	0.627	0.83
298_S	305_T	0.624	0.83
52_P	64_P	0.623	0.83
295_L	298_S	0.623	0.83
51_I	57_R	0.622	0.83
129_Q	132_A	0.620	0.83
130_N	138_V	0.620	0.83
93_L	141_A	0.620	0.83
160_Q	248_G	0.619	0.83
264_I	268_Y	0.618	0.82
11_W	32_W	0.618	0.82
227_Y	275_R	0.617	0.82
42_V	45_L	0.614	0.82
54_G	220_S	0.614	0.82
14_R	23_R	0.613	0.82
242_A	256_G	0.612	0.82
10_P	41_S	0.611	0.82
55_V	60_Y	0.608	0.81
30_G	36_T	0.608	0.81
11_W	15_K	0.607	0.81
70_S	103_A	0.606	0.81
176_W	247_G	0.605	0.81
147_F	180_V	0.604	0.81
15_K	34_L	0.602	0.81
208_T	212_A	0.602	0.81
122_G	211_V	0.602	0.81
189_V	267_V	0.601	0.81
72_L	232_I	0.600	0.81
62_L	66_V	0.599	0.80
202_D	209_E	0.598	0.80
185_F	246_L	0.595	0.80
237_G	241_I	0.594	0.80
286_L	295_L	0.594	0.80
144_V	244_L	0.593	0.80
39_V	117_K	0.591	0.80
23_R	213_G	0.590	0.80
202_D	210_I	0.590	0.80
268_Y	272_Q	0.589	0.79
290_G	293_G	0.587	0.79
252_P	255_P	0.584	0.79
153_L	240_I	0.583	0.79
109_M	113_A	0.583	0.79
114_S	119_S	0.580	0.78
142_A	302_L	0.576	0.78
69_G	304_L	0.575	0.78
231_F	275_R	0.575	0.78
281_V	290_G	0.575	0.78
18_A	23_R	0.573	0.78
49_L	60_Y	0.573	0.78
47_K	292_K	0.573	0.78
132_A	295_L	0.572	0.77
270_F	273_W	0.572	0.77
183_F	301_N	0.570	0.77
78_I	236_L	0.570	0.77
19_A	138_V	0.570	0.77
37_I	75_F	0.569	0.77
15_K	27_N	0.569	0.77
158_A	248_G	0.569	0.77
272_Q	275_R	0.567	0.77
156_I	243_T	0.567	0.77
203_T	206_A	0.565	0.77
289_I	293_G	0.565	0.77
21_T	217_E	0.565	0.77
262_I	265_W	0.565	0.77
67_L	74_A	0.563	0.76
140_T	184_A	0.562	0.76
196_V	233_H	0.562	0.76
69_G	158_A	0.558	0.76
177_F	180_V	0.556	0.75
80_M	239_A	0.552	0.75
77_V	190_V	0.552	0.75
86_L	303_V	0.552	0.75
32_W	61_D	0.551	0.75
198_R	231_F	0.549	0.74
86_L	91_V	0.547	0.74
30_G	224_V	0.547	0.74
19_A	272_Q	0.546	0.74
143_S	305_T	0.545	0.74
100_A	241_I	0.544	0.74
204_P	215_Q	0.542	0.74
107_L	197_G	0.541	0.73
51_I	55_V	0.537	0.73
4_M	7_F	0.536	0.73
197_G	230_E	0.534	0.72
183_F	300_A	0.534	0.72
136_P	283_I	0.534	0.72
78_I	86_L	0.534	0.72
105_L	137_L	0.533	0.72
214_Y	227_Y	0.533	0.72
286_L	291_W	0.531	0.72
119_S	309_L	0.531	0.72
280_R	283_I	0.529	0.72
96_V	236_L	0.528	0.72
138_V	141_A	0.527	0.71
60_Y	110_G	0.526	0.71
7_F	228_L	0.522	0.71
5_T	9_G	0.522	0.71
102_I	293_G	0.521	0.71
298_S	302_L	0.516	0.70
272_Q	276_S	0.515	0.70
128_A	287_I	0.514	0.70
255_P	262_I	0.514	0.70
14_R	21_T	0.513	0.69
249_P	256_G	0.512	0.69
112_Y	124_L	0.510	0.69
13_K	272_Q	0.510	0.69
14_R	207_P	0.509	0.69
156_I	244_L	0.509	0.69
3_T	7_F	0.508	0.69
40_D	280_R	0.508	0.69
37_I	44_L	0.508	0.69
106_G	138_V	0.507	0.69
66_V	308_A	0.507	0.69
161_Q	177_F	0.507	0.69
197_G	233_H	0.503	0.68
133_Y	291_W	0.503	0.68
306_A	309_L	0.503	0.68
14_R	201_F	0.502	0.68
88_D	91_V	0.502	0.68
148_T	155_E	0.501	0.68
242_A	267_V	0.501	0.68
231_F	286_L	0.501	0.68
100_A	130_N	0.500	0.68
63_A	101_S	0.500	0.68

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
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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
4he8H	1	0.7834	100	0.046	Contact Map
2jpkA	1	0.1115	6.3	0.971	Contact Map
1qleD	1	0.1369	4.1	0.974	Contact Map
1q2fA	1	0.0987	3.9	0.974	Contact Map
4h25C	1	0.0701	3.2	0.975	Contact Map
1q90G	1	0.0701	2.9	0.976	Contact Map
3dacP	1	0.0414	2.4	0.977	Contact Map
2ll2A	1	0.0828	2.3	0.977	Contact Map
1vryA	1	0.1943	2.2	0.977	Contact Map
3w4tA	1	0.9076	2	0.978	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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