Q9HMT6 - HALSA - GREMLIN Contacts

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Q9HMT6 - Thiosulfate sulfurtransferase

UniProt:	Q9HMT6	Sequences: MSDNWVVTPDWLDEQDDASVRVVDVRDAWEYDGIGHVPGAVNVPFDAFRSADGPQGMLPPAGEWAAVLSAAGVERGDTLVAYDDTHGVFAARFLVTALYHGHDDVAVLDGDYSAWVREHETTTGTPEVDETTYEPGERGVDVFVGTEAVADAAASDAAVVVDTRDPGEFADGHIPDAVNVTWTAFVDDDTRGLKSRAAIEDVLAEHGITREDRVVLYCNTARRISHTFVVLRWLGFTDVSFYEGSVRAWTAAGRSLV	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	257 (244)
Sequences:	4539 (3288)
Seq/√Len:	210.5

ECOLI - THTM YNJE
HALSA - Q9HMT6 Q9HMT7
SULSO - Q97XC6 Q97ZB1

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
7_V	11_W	3.426	1.00
78_T	106_A	3.403	1.00
145_G	148_A	2.939	1.00
194_K	198_A	2.817	1.00
69_S	131_T	2.691	1.00
166_P	170_A	2.682	1.00
13_D	119_H	2.645	1.00
28_A	32_D	2.617	1.00
12_L	108_L	2.605	1.00
21_R	77_D	2.543	1.00
35_G	116_V	2.526	1.00
114_A	118_E	2.526	1.00
11_W	15_Q	2.348	1.00
112_Y	121_T	2.337	1.00
35_G	123_T	2.323	1.00
64_W	68_L	2.287	1.00
195_S	198_A	2.267	1.00
8_T	109_D	2.265	1.00
107_V	229_V	2.232	1.00
60_P	63_E	2.137	1.00
146_T	252_A	2.091	1.00
166_P	179_N	2.083	1.00
102_H	133_Y	2.013	1.00
12_L	22_V	1.909	1.00
228_F	241_F	1.905	1.00
196_R	200_E	1.893	1.00
8_T	11_W	1.879	1.00
23_V	73_V	1.858	1.00
194_K	202_V	1.856	1.00
244_G	248_A	1.852	1.00
65_A	69_S	1.842	1.00
22_V	37_V	1.816	1.00
74_E	131_T	1.808	1.00
9_P	118_E	1.803	1.00
9_P	114_A	1.798	1.00
224_I	241_F	1.767	1.00
122_T	126_P	1.730	1.00
187_D	192_G	1.723	1.00
91_A	225_S	1.717	1.00
31_Y	36_H	1.710	1.00
44_P	47_A	1.696	1.00
75_R	134_E	1.624	1.00
144_V	149_V	1.623	1.00
158_A	215_V	1.616	1.00
146_T	150_A	1.601	1.00
200_E	204_A	1.599	1.00
168_E	223_R	1.598	1.00
69_S	132_T	1.566	1.00
58_L	96_T	1.564	1.00
9_P	119_H	1.544	1.00
144_V	240_S	1.540	1.00
43_V	71_A	1.537	1.00
65_A	135_P	1.532	1.00
23_V	41_V	1.519	1.00
74_E	77_D	1.493	1.00
64_W	100_H	1.449	1.00
174_I	177_A	1.448	1.00
68_L	97_A	1.435	1.00
163_T	227_T	1.433	1.00
144_V	148_A	1.431	1.00
152_A	215_V	1.396	1.00
21_R	128_V	1.387	1.00
144_V	215_V	1.383	1.00
143_F	243_E	1.380	1.00
25_V	81_A	1.376	1.00
10_D	14_E	1.371	1.00
146_T	248_A	1.367	1.00
66_A	70_A	1.351	1.00
185_F	199_I	1.337	1.00
114_A	192_G	1.328	1.00
180_V	202_V	1.327	1.00
6_V	193_L	1.321	1.00
78_T	104_D	1.316	1.00
189_D	192_G	1.291	1.00
81_A	93_F	1.283	1.00
180_V	206_H	1.276	1.00
159_V	212_D	1.256	1.00
228_F	239_V	1.255	1.00
152_A	158_A	1.255	1.00
98_L	232_R	1.245	1.00
185_F	203_L	1.243	1.00
216_L	231_L	1.242	1.00
32_D	125_T	1.231	1.00
209_T	212_D	1.225	1.00
61_A	65_A	1.219	1.00
73_V	79_L	1.209	1.00
58_L	99_Y	1.198	1.00
213_R	240_S	1.193	1.00
196_R	234_L	1.184	1.00
65_A	134_E	1.173	1.00
74_E	132_T	1.172	1.00
246_V	250_T	1.147	1.00
213_R	238_D	1.143	1.00
149_V	215_V	1.136	1.00
46_D	56_G	1.134	1.00
149_V	152_A	1.124	1.00
139_G	142_V	1.117	1.00
187_D	190_T	1.113	1.00
216_L	239_V	1.110	1.00
35_G	121_T	1.105	1.00
31_Y	126_P	1.101	1.00
103_D	139_G	1.100	1.00
232_R	237_T	1.098	1.00
214_V	231_L	1.094	1.00
116_V	121_T	1.089	1.00
21_R	73_V	1.083	1.00
198_A	201_D	1.077	1.00
64_W	96_T	1.077	1.00
5_W	233_W	1.076	1.00
174_I	217_Y	1.055	1.00
187_D	194_K	1.054	1.00
231_L	236_F	1.048	1.00
7_V	15_Q	1.042	1.00
149_V	158_A	1.040	1.00
231_L	239_V	1.038	1.00
15_Q	20_V	1.038	1.00
230_V	234_L	1.038	1.00
220_T	247_R	1.030	1.00
64_W	97_A	1.025	1.00
28_A	47_A	1.023	1.00
63_E	66_A	1.021	1.00
200_E	210_R	1.016	1.00
193_L	233_W	1.013	1.00
149_V	153_A	1.009	1.00
99_Y	138_R	1.008	1.00
160_V	217_Y	1.003	1.00
168_E	220_T	1.001	1.00
112_Y	116_V	0.989	1.00
201_D	205_E	0.985	1.00
20_V	80_V	0.980	1.00
185_F	227_T	0.980	1.00
29_W	32_D	0.980	1.00
94_L	228_F	0.971	1.00
193_L	226_H	0.969	1.00
29_W	34_I	0.963	1.00
48_F	67_V	0.957	1.00
229_V	233_W	0.956	1.00
5_W	232_R	0.954	1.00
167_G	170_A	0.948	0.99
91_A	229_V	0.944	0.99
32_D	124_G	0.944	0.99
28_A	42_N	0.935	0.99
26_R	84_D	0.935	0.99
38_P	115_W	0.933	0.99
20_V	78_T	0.928	0.99
88_V	223_R	0.928	0.99
68_L	73_V	0.928	0.99
236_F	239_V	0.919	0.99
153_A	176_D	0.914	0.99
242_Y	248_A	0.912	0.99
152_A	160_V	0.908	0.99
75_R	133_Y	0.904	0.99
7_V	106_A	0.902	0.99
48_F	70_A	0.899	0.99
56_G	168_E	0.899	0.99
168_E	219_N	0.898	0.99
81_A	97_A	0.898	0.99
149_V	160_V	0.896	0.99
67_V	70_A	0.895	0.99
75_R	136_G	0.893	0.99
23_V	93_F	0.891	0.99
75_R	132_T	0.888	0.99
35_G	112_Y	0.883	0.99
41_V	128_V	0.881	0.99
99_Y	142_V	0.880	0.99
180_V	185_F	0.879	0.99
169_F	173_H	0.878	0.99
185_F	202_V	0.875	0.99
63_E	67_V	0.875	0.99
184_A	202_V	0.875	0.99
56_G	220_T	0.874	0.99
210_R	236_F	0.874	0.99
98_L	228_F	0.871	0.99
81_A	94_L	0.869	0.99
180_V	203_L	0.866	0.99
218_C	245_S	0.866	0.99
113_S	117_R	0.865	0.99
144_V	152_A	0.864	0.99
148_A	152_A	0.864	0.99
73_V	77_D	0.852	0.99
65_A	131_T	0.848	0.99
66_A	130_E	0.846	0.99
203_L	231_L	0.845	0.99
83_D	90_A	0.842	0.99
122_T	125_T	0.840	0.99
165_D	183_T	0.835	0.99
23_V	43_V	0.833	0.99
21_R	41_V	0.828	0.99
144_V	158_A	0.828	0.99
94_L	232_R	0.827	0.99
177_A	217_Y	0.826	0.99
13_D	120_E	0.824	0.99
19_S	78_T	0.822	0.99
194_K	199_I	0.820	0.99
6_V	109_D	0.818	0.99
159_V	178_V	0.816	0.98
70_A	130_E	0.814	0.98
169_F	177_A	0.808	0.98
86_H	186_V	0.808	0.98
201_D	204_A	0.805	0.98
166_P	184_A	0.802	0.98
7_V	12_L	0.794	0.98
165_D	168_E	0.786	0.98
68_L	133_Y	0.785	0.98
45_F	222_R	0.785	0.98
152_A	213_R	0.773	0.98
12_L	20_V	0.772	0.98
41_V	126_P	0.771	0.98
216_L	228_F	0.769	0.98
41_V	71_A	0.768	0.98
159_V	209_T	0.767	0.98
185_F	226_H	0.766	0.98
232_R	238_D	0.765	0.98
69_S	130_E	0.764	0.98
56_G	222_R	0.763	0.98
94_L	98_L	0.753	0.97
148_A	151_D	0.752	0.97
159_V	214_V	0.751	0.97
197_A	200_E	0.750	0.97
30_E	34_I	0.746	0.97
193_L	230_V	0.745	0.97
87_G	193_L	0.743	0.97
20_V	77_D	0.736	0.97
248_A	251_A	0.735	0.97
28_A	44_P	0.730	0.97
75_R	102_H	0.729	0.97
247_R	250_T	0.729	0.97
23_V	71_A	0.727	0.97
187_D	198_A	0.723	0.97
61_A	135_P	0.721	0.97
199_I	203_L	0.712	0.96
199_I	230_V	0.712	0.96
199_I	202_V	0.707	0.96
87_G	226_H	0.706	0.96
98_L	103_D	0.703	0.96
87_G	90_A	0.702	0.96
203_L	227_T	0.701	0.96
196_R	233_W	0.701	0.96
181_T	184_A	0.698	0.96
232_R	239_V	0.696	0.96
59_P	92_R	0.684	0.96
108_L	115_W	0.683	0.95
146_T	153_A	0.682	0.95
219_N	223_R	0.681	0.95
227_T	230_V	0.681	0.95
31_Y	124_G	0.681	0.95
173_H	177_A	0.679	0.95
164_R	177_A	0.676	0.95
94_L	105_V	0.676	0.95
182_W	186_V	0.676	0.95
87_G	107_V	0.675	0.95
15_Q	18_A	0.674	0.95
43_V	93_F	0.671	0.95
37_V	115_W	0.671	0.95
19_S	76_G	0.666	0.95
86_H	113_S	0.664	0.95
58_L	143_F	0.662	0.95
15_Q	78_T	0.659	0.95
198_A	202_V	0.656	0.94
85_T	113_S	0.655	0.94
113_S	116_V	0.652	0.94
12_L	80_V	0.643	0.94
73_V	97_A	0.643	0.94
165_D	223_R	0.642	0.94
9_P	13_D	0.641	0.94
214_V	236_F	0.641	0.94
36_H	82_Y	0.640	0.94
242_Y	245_S	0.639	0.94
31_Y	40_A	0.638	0.94
84_D	113_S	0.637	0.93
10_D	119_H	0.636	0.93
6_V	229_V	0.636	0.93
127_E	130_E	0.634	0.93
49_R	96_T	0.633	0.93
69_S	74_E	0.631	0.93
79_L	102_H	0.629	0.93
142_V	240_S	0.627	0.93
57_M	243_E	0.626	0.93
152_A	155_S	0.622	0.93
225_S	228_F	0.611	0.92
43_V	67_V	0.611	0.92
82_Y	112_Y	0.609	0.92
50_S	53_G	0.609	0.92
147_E	150_A	0.608	0.92
114_A	117_R	0.607	0.92
37_V	108_L	0.606	0.92
56_G	219_N	0.606	0.92
202_V	206_H	0.605	0.92
81_A	105_V	0.604	0.92
87_G	186_V	0.602	0.91
159_V	213_R	0.598	0.91
83_D	92_R	0.597	0.91
220_T	223_R	0.595	0.91
164_R	246_V	0.592	0.91
153_A	160_V	0.589	0.91
225_S	241_F	0.589	0.91
31_Y	41_V	0.588	0.90
79_L	97_A	0.586	0.90
208_I	236_F	0.585	0.90
99_Y	139_G	0.583	0.90
67_V	71_A	0.581	0.90
43_V	48_F	0.577	0.90
159_V	208_I	0.577	0.90
19_S	77_D	0.574	0.89
185_F	230_V	0.573	0.89
117_R	192_G	0.571	0.89
216_L	227_T	0.569	0.89
150_A	249_W	0.568	0.89
66_A	69_S	0.567	0.89
173_H	217_Y	0.567	0.89
16_D	19_S	0.567	0.89
76_G	131_T	0.563	0.88
100_H	133_Y	0.563	0.88
68_L	100_H	0.562	0.88
51_A	63_E	0.561	0.88
220_T	246_V	0.559	0.88
47_A	70_A	0.558	0.88
114_A	119_H	0.557	0.88
30_E	84_D	0.557	0.88
115_W	119_H	0.555	0.88
81_A	107_V	0.554	0.88
148_A	213_R	0.553	0.88
148_A	240_S	0.553	0.88
51_A	54_P	0.553	0.88
147_E	151_D	0.552	0.88
38_P	122_T	0.550	0.87
75_R	131_T	0.549	0.87
34_I	123_T	0.547	0.87
219_N	222_R	0.547	0.87
10_D	118_E	0.547	0.87
49_R	56_G	0.545	0.87
98_L	142_V	0.544	0.87
27_D	42_N	0.544	0.87
146_T	242_Y	0.544	0.87
83_D	87_G	0.543	0.87
186_V	226_H	0.542	0.87
106_A	233_W	0.541	0.86
74_E	133_Y	0.539	0.86
197_A	201_D	0.537	0.86
75_R	103_D	0.535	0.86
161_V	227_T	0.533	0.86
173_H	179_N	0.527	0.85
83_D	168_E	0.527	0.85
5_W	229_V	0.527	0.85
161_V	180_V	0.526	0.85
85_T	89_F	0.522	0.84
223_R	226_H	0.519	0.84
111_D	114_A	0.515	0.84
59_P	96_T	0.514	0.84
5_W	106_A	0.514	0.84
12_L	115_W	0.513	0.83
45_F	50_S	0.513	0.83
5_W	78_T	0.511	0.83
36_H	122_T	0.509	0.83
141_D	240_S	0.509	0.83
99_Y	143_F	0.508	0.83
48_F	71_A	0.505	0.83
40_A	82_Y	0.505	0.83
161_V	214_V	0.504	0.82
68_L	71_A	0.503	0.82
95_V	225_S	0.503	0.82
49_R	57_M	0.502	0.82
133_Y	136_G	0.502	0.82
223_R	241_F	0.501	0.82
36_H	126_P	0.501	0.82
218_C	221_A	0.500	0.82

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
1rhsA	1	0.9883	100	0.29	Contact Map
4jgtA	1	0.9767	100	0.292	Contact Map
1urhA	1	0.9416	100	0.292	Contact Map
1uarA	1	0.9883	100	0.294	Contact Map
1e0cA	1	0.9883	100	0.299	Contact Map
3aayA	1	0.9805	100	0.303	Contact Map
3utnX	1	0.9883	100	0.307	Contact Map
3hzuA	2	0.9728	100	0.315	Contact Map
1okgA	1	0.9494	100	0.328	Contact Map
2wlrA	1	0.9767	100	0.334	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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