Q9HS79 - HALSA - GREMLIN Contacts

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Q9HS79 - Arsenical pump-driving ATPase

UniProt:	Q9HS79	Sequences: MDEIEVEAVDSLDPGITVDTAEYVLYGGKGGVGKTTMAAATAVASASDGTNTLVVSTDPAHSLSDTLEAEIPSRPHRIRENVPLWAVEIDPDDALDRTGMFGQDGALSGTLETMLGGDAGAPGGGDGSAAMMPGADEAAAMQLLLEYLDDDRFDRVVVDTAPTGHTLRLLELPEVMDSMVGQLMQVRERLGGMMDGLTGMFGGDDDASAEQTMGDLDAVKERVEQLRAVLTDPQRTDFRVVLVPEELSVAESNRLITRLDEYGVPVNTVVVNRVMEPLADVADVPADAFVAPNHEDCAFCARRWDVQQQALADAQDIFRGHTVKRVPLLAEEVRGERPLRVVAACLA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	347 (299)
Sequences:	1789 (1087)
Seq/√Len:	62.9

HALSA - Q9HS79 ARSA

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
47_S	340_R	7.108	1.00
85_W	153_F	5.497	1.00
45_S	155_R	5.351	1.00
244_P	274_V	5.251	1.00
315_Q	325_R	4.483	1.00
297_C	300_C	4.428	1.00
26_Y	41_T	4.303	1.00
37_M	270_V	3.496	1.00
37_M	326_V	3.053	1.00
304_W	308_Q	2.912	1.00
50_T	154_D	2.813	1.00
54_V	86_A	2.728	1.00
271_V	311_L	2.695	1.00
77_R	80_E	2.667	1.00
51_N	154_D	2.640	1.00
163_T	251_E	2.618	1.00
71_I	78_I	2.498	1.00
78_I	86_A	2.461	1.00
77_R	85_W	2.417	1.00
71_I	86_A	2.347	1.00
50_T	155_R	2.258	1.00
72_P	76_H	2.233	1.00
42_A	54_V	2.214	1.00
60_A	251_E	2.208	1.00
149_D	225_Q	2.172	1.00
44_A	48_D	2.148	1.00
46_A	49_G	2.135	1.00
253_N	317_I	2.069	1.00
275_M	307_Q	2.026	1.00
65_D	307_Q	1.998	1.00
94_A	97_R	1.971	1.00
249_V	314_A	1.967	1.00
65_D	254_R	1.951	1.00
274_V	311_L	1.935	1.00
308_Q	312_A	1.875	1.00
242_L	269_V	1.843	1.00
39_A	63_L	1.803	1.00
331_E	338_P	1.803	1.00
224_E	228_A	1.802	1.00
232_D	235_R	1.795	1.00
57_T	161_A	1.795	1.00
45_S	52_T	1.766	1.00
57_T	169_L	1.751	0.99
160_T	166_T	1.725	0.99
239_R	267_N	1.698	0.99
274_V	325_R	1.690	0.99
56_S	61_H	1.690	0.99
174_E	227_R	1.655	0.99
67_L	86_A	1.654	0.99
271_V	314_A	1.652	0.99
105_G	109_G	1.645	0.99
240_V	256_I	1.645	0.99
56_S	62_S	1.616	0.99
28_G	31_G	1.605	0.99
144_L	158_V	1.594	0.99
93_D	97_R	1.583	0.99
69_A	79_R	1.576	0.99
245_E	303_R	1.559	0.99
167_L	335_G	1.551	0.99
47_S	344_A	1.544	0.99
166_T	169_L	1.529	0.99
26_Y	239_R	1.522	0.99
170_L	173_P	1.516	0.98
263_G	333_V	1.509	0.98
312_A	316_D	1.507	0.98
276_E	307_Q	1.499	0.98
107_L	111_L	1.469	0.98
36_T	342_V	1.455	0.98
240_V	255_L	1.443	0.98
243_V	273_R	1.435	0.98
245_E	248_S	1.424	0.98
27_G	238_F	1.349	0.97
250_A	253_N	1.346	0.97
64_S	88_E	1.344	0.97
161_A	169_L	1.342	0.97
268_T	324_K	1.341	0.97
94_A	143_L	1.322	0.96
21_A	237_D	1.300	0.96
71_I	75_P	1.289	0.96
249_V	310_A	1.286	0.96
143_L	146_E	1.276	0.96
181_G	220_K	1.274	0.96
96_D	105_G	1.267	0.95
41_T	239_R	1.262	0.95
111_L	114_M	1.254	0.95
43_V	336_E	1.250	0.95
36_T	329_L	1.250	0.95
91_P	139_A	1.233	0.95
77_R	82_V	1.228	0.95
29_K	164_G	1.223	0.94
30_G	33_G	1.220	0.94
36_T	333_V	1.209	0.94
75_P	85_W	1.198	0.94
51_N	151_D	1.196	0.94
309_Q	313_D	1.195	0.94
305_D	312_A	1.194	0.94
39_A	54_V	1.193	0.94
55_V	87_V	1.181	0.93
242_L	314_A	1.165	0.93
24_V	155_R	1.157	0.93
98_T	139_A	1.151	0.92
36_T	324_K	1.143	0.92
195_D	199_G	1.141	0.92
312_A	315_Q	1.132	0.92
60_A	162_P	1.128	0.92
29_K	56_S	1.124	0.91
219_V	244_P	1.119	0.91
34_K	251_E	1.119	0.91
54_V	63_L	1.116	0.91
338_P	341_V	1.112	0.91
110_T	113_T	1.108	0.91
336_E	340_R	1.103	0.91
314_A	318_F	1.099	0.91
161_A	166_T	1.096	0.90
71_I	87_V	1.091	0.90
58_D	272_N	1.088	0.90
240_V	252_S	1.084	0.90
28_G	33_G	1.083	0.90
43_V	340_R	1.083	0.90
166_T	170_L	1.077	0.90
156_V	304_W	1.077	0.90
58_D	251_E	1.072	0.89
234_Q	316_D	1.057	0.89
69_A	86_A	1.054	0.89
89_I	157_V	1.050	0.88
298_A	301_A	1.047	0.88
57_T	259_L	1.045	0.88
46_A	90_D	1.038	0.88
56_S	88_E	1.034	0.88
160_T	248_S	1.023	0.87
139_A	172_L	1.022	0.87
75_P	169_L	1.019	0.87
67_L	71_I	1.017	0.87
46_A	170_L	1.014	0.87
32_V	162_P	0.996	0.86
242_L	271_V	0.995	0.86
32_V	60_A	0.993	0.85
61_H	65_D	0.990	0.85
76_H	86_A	0.989	0.85
124_G	180_V	0.981	0.85
29_K	32_V	0.980	0.85
32_V	251_E	0.980	0.85
242_L	248_S	0.972	0.84
221_E	224_E	0.966	0.84
60_A	163_T	0.966	0.84
87_V	147_Y	0.954	0.83
34_K	60_A	0.951	0.83
135_A	139_A	0.951	0.83
61_H	251_E	0.948	0.83
256_I	266_V	0.946	0.83
62_S	65_D	0.945	0.82
57_T	163_T	0.932	0.82
313_D	317_I	0.927	0.81
57_T	166_T	0.926	0.81
59_P	160_T	0.919	0.81
38_A	72_P	0.914	0.80
326_V	342_V	0.913	0.80
75_P	87_V	0.910	0.80
295_E	304_W	0.909	0.80
339_L	343_A	0.909	0.80
34_K	163_T	0.907	0.80
306_V	310_A	0.905	0.80
97_R	146_E	0.904	0.80
152_R	341_V	0.903	0.79
127_G	193_M	0.896	0.79
60_A	164_G	0.894	0.79
160_T	247_L	0.891	0.79
160_T	165_H	0.887	0.78
225_Q	228_A	0.887	0.78
53_L	89_I	0.877	0.77
38_A	180_V	0.877	0.77
326_V	329_L	0.877	0.77
164_G	247_L	0.876	0.77
29_K	61_H	0.873	0.77
191_G	213_M	0.866	0.77
77_R	81_N	0.864	0.76
167_L	254_R	0.863	0.76
152_R	277_P	0.861	0.76
337_R	340_R	0.858	0.76
252_S	256_I	0.856	0.76
25_L	158_V	0.852	0.75
115_L	121_A	0.848	0.75
47_S	336_E	0.846	0.75
35_T	335_G	0.845	0.75
238_F	303_R	0.844	0.75
30_G	34_K	0.839	0.74
162_P	251_E	0.829	0.73
88_E	252_S	0.829	0.73
39_A	238_F	0.828	0.73
61_H	164_G	0.827	0.73
43_V	47_S	0.824	0.73
32_V	163_T	0.823	0.73
109_G	298_A	0.819	0.72
29_K	62_S	0.813	0.72
60_A	173_P	0.811	0.72
276_E	304_W	0.811	0.72
28_G	32_V	0.811	0.72
43_V	339_L	0.810	0.72
57_T	164_G	0.807	0.71
29_K	34_K	0.806	0.71
54_V	96_D	0.805	0.71
239_R	261_E	0.803	0.71
58_D	164_G	0.802	0.71
166_T	251_E	0.799	0.71
38_A	45_S	0.796	0.70
257_T	261_E	0.794	0.70
93_D	96_D	0.789	0.70
161_A	164_G	0.786	0.69
129_A	165_H	0.783	0.69
228_A	305_D	0.783	0.69
62_S	254_R	0.778	0.69
195_D	214_G	0.776	0.68
63_L	244_P	0.768	0.68
44_A	343_A	0.768	0.68
237_D	267_N	0.767	0.67
304_W	307_Q	0.764	0.67
249_V	255_L	0.764	0.67
44_A	47_S	0.764	0.67
110_T	116_G	0.763	0.67
50_T	54_V	0.759	0.67
315_Q	323_V	0.759	0.67
183_L	186_V	0.753	0.66
62_S	164_G	0.752	0.66
138_A	158_V	0.752	0.66
177_D	220_K	0.750	0.66
129_A	262_Y	0.748	0.66
65_D	167_L	0.746	0.65
60_A	65_D	0.746	0.65
239_R	268_T	0.743	0.65
25_L	141_M	0.738	0.64
195_D	200_M	0.738	0.64
195_D	207_A	0.735	0.64
53_L	153_F	0.735	0.64
79_R	322_T	0.733	0.64
132_M	139_A	0.731	0.64
222_R	266_V	0.729	0.64
163_T	259_L	0.728	0.63
66_T	335_G	0.728	0.63
188_E	210_E	0.719	0.62
112_E	116_G	0.719	0.62
310_A	313_D	0.717	0.62
105_G	112_E	0.716	0.62
29_K	254_R	0.713	0.62
53_L	169_L	0.713	0.62
61_H	161_A	0.711	0.62
42_A	157_V	0.707	0.61
38_A	73_S	0.705	0.61
37_M	222_R	0.702	0.61
71_I	76_H	0.702	0.61
158_V	226_L	0.699	0.60
228_A	232_D	0.699	0.60
140_A	219_V	0.693	0.60
163_T	254_R	0.691	0.59
269_V	305_D	0.689	0.59
277_P	309_Q	0.689	0.59
54_V	62_S	0.687	0.59
227_R	231_T	0.686	0.59
144_L	244_P	0.686	0.59
98_T	127_G	0.685	0.59
341_V	344_A	0.683	0.59
55_V	91_P	0.682	0.58
43_V	81_N	0.680	0.58
245_E	252_S	0.679	0.58
224_E	231_T	0.678	0.58
245_E	310_A	0.678	0.58
181_G	333_V	0.677	0.58
133_P	307_Q	0.676	0.58
305_D	308_Q	0.675	0.58
236_T	336_E	0.673	0.57
301_A	344_A	0.671	0.57
180_V	220_K	0.671	0.57
61_H	88_E	0.670	0.57
52_T	243_V	0.670	0.57
61_H	163_T	0.668	0.57
29_K	168_R	0.668	0.57
251_E	254_R	0.666	0.57
57_T	137_E	0.666	0.57
121_A	124_G	0.664	0.56
332_E	335_G	0.663	0.56
246_E	313_D	0.662	0.56
128_S	267_N	0.662	0.56
214_G	263_G	0.661	0.56
232_D	236_T	0.658	0.56
37_M	339_L	0.654	0.55
188_E	191_G	0.654	0.55
137_E	163_T	0.653	0.55
163_T	167_L	0.652	0.55
31_G	35_T	0.651	0.55
209_A	212_T	0.651	0.55
99_G	130_A	0.651	0.55
297_C	304_W	0.650	0.55
128_S	138_A	0.650	0.55
163_T	168_R	0.650	0.55
191_G	252_S	0.648	0.55
27_G	57_T	0.647	0.54
191_G	195_D	0.644	0.54
166_T	259_L	0.644	0.54
132_M	240_V	0.644	0.54
246_E	250_A	0.642	0.54
73_S	143_L	0.642	0.54
221_E	278_L	0.640	0.54
168_R	173_P	0.635	0.53
36_T	341_V	0.635	0.53
157_V	298_A	0.634	0.53
34_K	65_D	0.633	0.53
59_P	255_L	0.633	0.53
25_L	62_S	0.633	0.53
77_R	337_R	0.633	0.53
313_D	316_D	0.632	0.53
301_A	305_D	0.631	0.53
46_A	317_I	0.631	0.53
24_V	41_T	0.630	0.52
136_D	163_T	0.630	0.52
163_T	255_L	0.628	0.52
73_S	319_R	0.625	0.52
61_H	247_L	0.621	0.51
32_V	57_T	0.620	0.51
36_T	255_L	0.619	0.51
33_G	36_T	0.619	0.51
113_T	156_V	0.619	0.51
117_G	124_G	0.617	0.51
45_S	50_T	0.615	0.51
129_A	141_M	0.615	0.51
252_S	264_V	0.611	0.50
139_A	226_L	0.610	0.50
59_P	137_E	0.610	0.50
180_V	217_D	0.608	0.50
340_R	344_A	0.608	0.50
302_R	331_E	0.607	0.50
167_L	307_Q	0.604	0.50
162_P	173_P	0.604	0.50
78_I	308_Q	0.602	0.49
196_G	202_G	0.602	0.49
59_P	122_P	0.602	0.49
29_K	88_E	0.601	0.49
157_V	183_L	0.599	0.49
74_R	341_V	0.599	0.49
48_D	93_D	0.599	0.49
254_R	307_Q	0.599	0.49
62_S	251_E	0.597	0.49
30_G	35_T	0.596	0.49
122_P	125_G	0.596	0.49
64_S	307_Q	0.594	0.48
162_P	166_T	0.593	0.48
137_E	168_R	0.590	0.48
89_I	276_E	0.588	0.48
218_A	338_P	0.588	0.48
160_T	173_P	0.588	0.48
219_V	223_V	0.588	0.48
230_L	251_E	0.584	0.47
62_S	88_E	0.584	0.47
22_E	235_R	0.583	0.47
160_T	251_E	0.583	0.47
133_P	303_R	0.582	0.47
157_V	244_P	0.581	0.47
55_V	314_A	0.578	0.47
189_R	344_A	0.578	0.47
48_D	109_G	0.578	0.47
253_N	302_R	0.577	0.46
115_L	211_Q	0.577	0.46
308_Q	315_Q	0.576	0.46
239_R	270_V	0.576	0.46
67_L	158_V	0.575	0.46
113_T	117_G	0.574	0.46
22_E	148_L	0.574	0.46
54_V	85_W	0.573	0.46
166_T	247_L	0.572	0.46
253_N	257_T	0.571	0.46
328_L	332_E	0.570	0.46
113_T	174_E	0.568	0.45
142_Q	158_V	0.566	0.45
269_V	307_Q	0.566	0.45
238_F	333_V	0.565	0.45
90_D	182_Q	0.565	0.45
45_S	157_V	0.563	0.45
159_D	272_N	0.562	0.45
57_T	158_V	0.562	0.45
300_C	307_Q	0.562	0.45
163_T	173_P	0.561	0.45
221_E	309_Q	0.561	0.45
77_R	152_R	0.560	0.44
180_V	209_A	0.560	0.44
34_K	58_D	0.559	0.44
204_D	207_A	0.558	0.44
107_L	115_L	0.558	0.44
38_A	157_V	0.557	0.44
94_A	140_A	0.556	0.44
42_A	51_N	0.554	0.44
75_P	78_I	0.553	0.44
22_E	237_D	0.550	0.43
214_G	308_Q	0.550	0.43
56_S	60_A	0.549	0.43
173_P	259_L	0.549	0.43
23_Y	148_L	0.549	0.43
254_R	335_G	0.548	0.43
235_R	309_Q	0.547	0.43
111_L	126_D	0.546	0.43
98_T	158_V	0.545	0.43
168_R	175_V	0.544	0.43
312_A	336_E	0.544	0.43
56_S	65_D	0.543	0.43
191_G	194_M	0.543	0.43
226_L	306_V	0.542	0.42
21_A	144_L	0.541	0.42
42_A	276_E	0.541	0.42
65_D	252_S	0.540	0.42
34_K	161_A	0.538	0.42
123_G	157_V	0.537	0.42
55_V	216_L	0.536	0.42
26_Y	40_A	0.536	0.42
256_I	260_D	0.535	0.42
59_P	165_H	0.535	0.42
218_A	334_R	0.532	0.41
54_V	176_M	0.532	0.41
69_A	76_H	0.531	0.41
56_S	167_L	0.529	0.41
73_S	93_D	0.529	0.41
24_V	310_A	0.528	0.41
160_T	164_G	0.528	0.41
179_M	299_F	0.527	0.41
42_A	67_L	0.527	0.41
65_D	275_M	0.527	0.41
62_S	161_A	0.526	0.41
65_D	164_G	0.526	0.41
161_A	165_H	0.526	0.41
308_Q	337_R	0.523	0.40
202_G	207_A	0.522	0.40
124_G	139_A	0.521	0.40
139_A	147_Y	0.520	0.40
61_H	254_R	0.519	0.40
305_D	309_Q	0.518	0.40
179_M	216_L	0.517	0.40
108_S	113_T	0.517	0.40
88_E	164_G	0.517	0.40
176_M	223_V	0.516	0.40
80_E	157_V	0.514	0.39
229_V	235_R	0.510	0.39
42_A	64_S	0.508	0.39
233_P	265_P	0.508	0.39
237_D	265_P	0.508	0.39
195_D	209_A	0.507	0.39
238_F	255_L	0.507	0.39
251_E	259_L	0.504	0.38
53_L	133_P	0.502	0.38
99_G	131_M	0.502	0.38
162_P	245_E	0.502	0.38
93_D	225_Q	0.501	0.38
196_G	204_D	0.500	0.38

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
3iqwA	2	0.7291	100	0.396	Contact Map
3io3A	2	0.611	100	0.404	Contact Map
2wojA	2	0.8415	100	0.412	Contact Map
2wooA	5	0.8617	100	0.426	Contact Map
3igfA	2	0.7378	100	0.473	Contact Map
3ug7A	4	0.9049	100	0.505	Contact Map
3zq6A	2	0.8703	100	0.512	Contact Map
1ihuA	3	0.8242	100	0.532	Contact Map
3kjhA	2	0.6945	99.8	0.78	Contact Map
5aunB	2	0.6888	99.8	0.782	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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