Q9HMT7 - HALSA - GREMLIN Contacts

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Q9HMT7 - Probable thiosulfate sulfurtransferase

UniProt:	Q9HMT7	Sequences: MYVGVHPLRMADYATDVLVTADWVDDHLDQFRSDDPDHRLVEVDVDTEAYEESHAPGAIGFNWETQLQDQTTRDILDKDAFESLLGSHGITEDSTVVLYGDNSNWFAAYAYWQFKYYGHDDVKLLDGGRDYWMDNDYPTSEEPPSFSATDYDASGPFEGIRAYRDDVENAIDKGLPLVDVRSPEEFSGEILAPPGLQETAQRGGHIPGAENISWAATVNADGTFKSADELRSLYADQGIDGDETTVSYCRIGERSSIAWFALHELLGYDNTVNYDGSWTEWGNLVGAPVETGE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	293 (267)
Sequences:	4460 (3206)
Seq/√Len:	196.2

ECOLI - THTM YNJE
HALSA - Q9HMT7 Q9HMT6
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
95_T	123_K	3.609	1.00
19_V	23_W	3.480	1.00
163_Y	166_D	3.234	1.00
225_K	229_E	2.819	1.00
25_D	137_Y	2.782	1.00
86_G	149_T	2.771	1.00
47_T	51_E	2.715	1.00
183_P	187_S	2.676	1.00
131_Y	135_N	2.666	1.00
24_V	125_L	2.653	1.00
184_E	190_I	2.496	1.00
53_S	133_M	2.484	1.00
23_W	27_H	2.453	1.00
129_R	139_T	2.414	1.00
124_L	260_F	2.395	1.00
53_S	141_E	2.345	1.00
226_S	229_E	2.316	1.00
81_F	85_L	2.301	1.00
27_H	30_Q	2.300	1.00
20_T	126_D	2.294	1.00
77_D	80_A	2.209	1.00
183_P	211_N	2.155	1.00
184_E	189_E	2.138	1.00
119_H	151_Y	2.131	1.00
156_P	159_G	2.027	1.00
32_R	94_S	1.999	1.00
21_A	131_Y	1.986	1.00
259_W	273_N	1.910	1.00
164_R	287_A	1.896	1.00
20_T	23_W	1.890	1.00
227_A	231_R	1.885	1.00
276_G	280_E	1.877	1.00
91_T	149_T	1.877	1.00
21_A	135_N	1.875	1.00
225_K	233_L	1.870	1.00
33_S	55_A	1.842	1.00
82_E	86_G	1.826	1.00
62_N	65_T	1.807	1.00
108_A	256_S	1.749	1.00
86_G	150_D	1.744	1.00
255_S	273_N	1.737	1.00
164_R	284_L	1.728	1.00
21_A	137_Y	1.700	1.00
140_S	144_P	1.695	1.00
92_E	152_D	1.693	1.00
175_L	246_V	1.662	1.00
231_R	235_A	1.636	1.00
284_L	287_A	1.634	1.00
50_Y	54_H	1.627	1.00
75_I	113_Q	1.627	1.00
219_N	223_T	1.620	1.00
170_A	246_V	1.596	1.00
45_V	49_A	1.591	1.00
162_A	272_V	1.590	1.00
82_E	153_A	1.578	1.00
22_D	26_D	1.568	1.00
61_F	88_H	1.556	1.00
263_H	269_D	1.554	1.00
131_Y	223_T	1.540	1.00
162_A	167_V	1.534	1.00
164_R	168_E	1.527	1.00
34_D	90_I	1.515	1.00
162_A	166_D	1.510	1.00
91_T	94_S	1.508	1.00
81_F	117_Y	1.496	1.00
212_I	233_L	1.493	1.00
185_E	254_R	1.481	1.00
161_R	275_D	1.476	1.00
18_L	224_F	1.461	1.00
206_I	209_A	1.412	1.00
180_V	258_A	1.403	1.00
95_T	121_D	1.395	1.00
85_L	114_F	1.388	1.00
162_A	246_V	1.380	1.00
83_S	87_S	1.374	1.00
164_R	280_E	1.344	1.00
212_I	237_Q	1.328	1.00
98_L	110_A	1.312	1.00
170_A	175_L	1.309	1.00
75_I	116_Y	1.301	1.00
259_W	271_T	1.293	1.00
240_D	243_E	1.290	1.00
78_K	82_E	1.290	1.00
176_P	243_E	1.268	1.00
217_T	234_Y	1.262	1.00
34_D	59_I	1.262	1.00
247_S	262_L	1.250	1.00
168_E	287_A	1.249	1.00
51_E	143_P	1.249	1.00
90_I	96_V	1.236	1.00
244_T	272_V	1.229	1.00
115_K	263_H	1.215	1.00
167_V	246_V	1.187	1.00
82_E	152_D	1.186	1.00
217_T	230_L	1.175	1.00
229_E	232_S	1.172	1.00
167_V	170_A	1.169	1.00
91_T	150_D	1.169	1.00
219_N	225_K	1.161	1.00
247_S	271_T	1.160	1.00
244_T	270_N	1.160	1.00
227_A	266_L	1.151	1.00
19_V	27_H	1.144	1.00
262_L	271_T	1.143	1.00
24_V	33_S	1.141	1.00
245_T	262_L	1.137	1.00
261_A	266_L	1.127	1.00
202_R	282_G	1.117	1.00
191_L	203_G	1.117	1.00
53_S	139_T	1.112	1.00
50_Y	144_P	1.108	1.00
120_D	156_P	1.106	1.00
39_R	101_D	1.104	1.00
202_R	289_V	1.101	1.00
133_M	139_T	1.099	1.00
47_T	65_T	1.093	1.00
81_F	113_Q	1.092	1.00
32_R	90_I	1.089	1.00
129_R	133_M	1.071	1.00
80_A	83_S	1.062	1.00
278_W	282_G	1.049	1.00
64_E	73_R	1.047	1.00
201_Q	282_G	1.041	1.00
42_E	48_E	1.032	1.00
108_A	260_F	1.029	1.00
231_R	241_G	1.028	1.00
206_I	248_Y	1.024	1.00
36_P	98_L	1.021	1.00
177_L	248_Y	1.021	1.00
232_S	236_D	1.020	1.00
262_L	268_Y	1.019	1.00
17_V	263_H	1.007	1.00
59_I	146_F	1.002	1.00
167_V	175_L	0.996	1.00
167_V	177_L	0.996	1.00
51_E	142_E	0.995	1.00
182_S	190_I	0.993	1.00
48_E	52_E	0.992	1.00
224_F	257_I	0.986	1.00
251_I	279_T	0.985	1.00
66_Q	84_L	0.983	0.99
216_A	233_L	0.974	0.99
111_Y	259_W	0.973	0.99
92_E	151_Y	0.970	0.99
225_K	230_L	0.968	0.99
81_F	114_F	0.963	0.99
260_F	265_L	0.961	0.99
217_T	258_A	0.957	0.99
19_V	123_K	0.957	0.99
90_I	94_S	0.955	0.99
56_P	132_W	0.953	0.99
116_Y	160_I	0.952	0.99
85_L	90_I	0.951	0.99
48_E	51_E	0.949	0.99
241_G	268_Y	0.947	0.99
92_E	150_D	0.937	0.99
66_Q	87_S	0.935	0.99
83_S	148_A	0.935	0.99
53_S	129_R	0.927	0.99
105_W	254_R	0.927	0.99
217_T	233_L	0.923	0.99
98_L	114_F	0.920	0.99
31_F	95_T	0.912	0.99
185_E	251_I	0.911	0.99
84_L	87_S	0.910	0.99
92_E	154_S	0.905	0.99
27_H	31_F	0.896	0.99
224_F	265_L	0.896	0.99
274_Y	280_E	0.893	0.99
86_G	148_A	0.884	0.99
234_Y	262_L	0.881	0.99
162_A	175_L	0.875	0.99
268_Y	271_T	0.873	0.99
18_L	126_D	0.872	0.99
25_D	138_P	0.869	0.99
31_F	97_V	0.869	0.99
59_I	144_P	0.869	0.99
176_P	240_D	0.856	0.99
18_L	260_F	0.854	0.99
82_E	149_T	0.849	0.99
130_D	134_D	0.846	0.98
249_C	277_S	0.846	0.98
27_H	95_T	0.843	0.98
202_R	287_A	0.843	0.98
111_Y	263_H	0.842	0.98
212_I	217_T	0.842	0.98
230_L	234_Y	0.841	0.98
232_S	235_A	0.838	0.98
186_F	205_H	0.838	0.98
170_A	177_L	0.838	0.98
98_L	111_Y	0.837	0.98
39_R	43_V	0.836	0.98
100_G	107_A	0.831	0.98
80_A	84_L	0.830	0.98
212_I	234_Y	0.826	0.98
68_Q	71_T	0.824	0.98
162_A	170_A	0.824	0.98
166_D	170_A	0.822	0.98
24_V	97_V	0.821	0.98
19_V	24_V	0.817	0.98
104_N	224_F	0.816	0.98
73_R	251_I	0.816	0.98
85_L	151_Y	0.816	0.98
63_W	253_E	0.814	0.98
115_K	259_W	0.813	0.98
59_I	88_H	0.810	0.98
228_D	231_R	0.804	0.98
185_E	250_R	0.794	0.98
182_S	215_A	0.790	0.98
140_S	143_P	0.789	0.98
87_S	148_A	0.789	0.98
166_D	169_N	0.787	0.98
76_L	109_Y	0.784	0.98
217_T	257_I	0.781	0.97
183_P	216_A	0.780	0.97
37_D	101_D	0.777	0.97
282_G	289_V	0.772	0.97
234_Y	258_A	0.768	0.97
38_H	60_G	0.768	0.97
34_D	110_A	0.768	0.97
230_L	233_L	0.766	0.97
176_P	210_E	0.760	0.97
209_A	248_Y	0.758	0.97
247_S	259_W	0.757	0.97
47_T	60_G	0.755	0.97
44_D	49_A	0.754	0.97
224_F	261_A	0.752	0.97
184_E	187_S	0.751	0.97
103_S	218_V	0.746	0.97
61_F	84_L	0.740	0.96
213_S	216_A	0.740	0.96
167_V	171_I	0.738	0.96
176_P	245_T	0.738	0.96
67_L	113_Q	0.737	0.96
55_A	132_W	0.737	0.96
50_Y	59_I	0.736	0.96
205_H	209_A	0.735	0.96
182_S	185_E	0.731	0.96
111_Y	115_K	0.729	0.96
278_W	289_V	0.729	0.96
61_F	110_A	0.728	0.96
186_F	209_A	0.726	0.96
73_R	253_E	0.726	0.96
92_E	119_H	0.725	0.96
170_A	244_T	0.721	0.96
280_E	283_N	0.721	0.96
49_A	52_E	0.718	0.96
73_R	185_E	0.715	0.96
256_S	273_N	0.713	0.96
171_I	177_L	0.713	0.96
75_I	161_R	0.712	0.96
104_N	257_I	0.711	0.96
50_Y	58_A	0.703	0.95
16_D	123_K	0.699	0.95
219_N	229_E	0.699	0.95
115_K	120_D	0.695	0.95
206_I	290_E	0.690	0.95
258_A	261_A	0.689	0.95
156_P	160_I	0.689	0.95
102_N	130_D	0.682	0.94
130_D	133_M	0.681	0.94
263_H	271_T	0.680	0.94
278_W	288_P	0.678	0.94
98_L	122_V	0.678	0.94
90_I	114_F	0.676	0.94
229_E	233_L	0.675	0.94
245_T	268_Y	0.673	0.94
55_A	125_L	0.670	0.94
22_D	137_Y	0.670	0.94
86_G	91_T	0.667	0.94
93_D	149_T	0.666	0.94
233_L	237_Q	0.666	0.94
160_I	272_V	0.666	0.94
39_R	49_A	0.664	0.94
17_V	260_F	0.661	0.94
31_F	94_S	0.661	0.94
27_H	35_D	0.660	0.93
178_V	245_T	0.657	0.93
25_D	29_D	0.657	0.93
214_W	218_V	0.657	0.93
111_Y	122_V	0.650	0.93
185_E	193_P	0.650	0.93
274_Y	277_S	0.648	0.93
92_E	149_T	0.648	0.93
69_D	80_A	0.647	0.93
47_T	62_N	0.646	0.93
78_K	153_A	0.643	0.93
181_R	209_A	0.642	0.93
164_R	171_I	0.640	0.92
171_I	208_G	0.638	0.92
256_S	259_W	0.636	0.92
191_L	199_T	0.635	0.92
74_D	275_D	0.634	0.92
159_G	272_V	0.633	0.92
50_Y	142_E	0.633	0.92
263_H	270_N	0.622	0.91
279_T	282_G	0.622	0.91
84_L	88_H	0.621	0.91
101_D	130_D	0.619	0.91
41_V	44_D	0.618	0.91
216_A	237_Q	0.618	0.91
96_V	119_H	0.616	0.91
18_L	265_L	0.615	0.91
200_A	282_G	0.615	0.91
100_G	109_Y	0.613	0.91
54_H	99_Y	0.613	0.91
103_S	130_D	0.610	0.90
182_S	254_R	0.609	0.90
91_T	151_Y	0.608	0.90
98_L	124_L	0.608	0.90
96_V	114_F	0.607	0.90
85_L	117_Y	0.607	0.90
239_I	268_Y	0.605	0.90
165_D	168_E	0.605	0.90
131_Y	134_D	0.603	0.90
172_D	175_L	0.600	0.90
92_E	120_D	0.595	0.89
166_D	244_T	0.595	0.89
17_V	265_L	0.593	0.89
168_E	288_P	0.593	0.89
52_E	141_E	0.592	0.89
230_L	261_A	0.592	0.89
125_L	132_W	0.592	0.89
131_Y	137_Y	0.591	0.89
188_G	204_G	0.588	0.89
117_Y	153_A	0.588	0.89
54_H	140_S	0.588	0.89
39_R	42_E	0.587	0.89
83_S	86_G	0.584	0.89
165_D	169_N	0.583	0.88
155_G	158_E	0.582	0.88
104_N	124_L	0.581	0.88
178_V	212_I	0.579	0.88
17_V	123_K	0.579	0.88
65_T	87_S	0.578	0.88
99_Y	129_R	0.575	0.88
38_H	64_E	0.575	0.88
104_N	107_A	0.574	0.88
132_W	137_Y	0.573	0.88
227_A	265_L	0.571	0.87
86_G	151_Y	0.569	0.87
199_T	203_G	0.569	0.87
176_P	239_I	0.569	0.87
115_K	160_I	0.568	0.87
22_D	135_N	0.567	0.87
42_E	49_A	0.563	0.87
116_Y	155_G	0.563	0.87
250_R	254_R	0.562	0.87
166_D	272_V	0.561	0.86
111_Y	260_F	0.561	0.86
21_A	25_D	0.558	0.86
39_R	45_V	0.557	0.86
32_R	146_F	0.555	0.86
104_N	218_V	0.553	0.86
66_Q	69_D	0.550	0.85
251_I	278_W	0.547	0.85
73_R	193_P	0.546	0.85
40_L	43_V	0.545	0.85
82_E	151_Y	0.544	0.85
76_L	113_Q	0.544	0.85
34_D	88_H	0.543	0.85
231_R	269_D	0.540	0.84
217_T	261_A	0.540	0.84
205_H	211_N	0.539	0.84
247_S	258_A	0.539	0.84
24_V	132_W	0.539	0.84
178_V	258_A	0.537	0.84
128_G	131_Y	0.535	0.84
254_R	257_I	0.532	0.83
73_R	250_R	0.530	0.83
176_P	244_T	0.529	0.83
78_K	155_G	0.528	0.83
95_T	98_L	0.528	0.83
179_D	209_A	0.527	0.83
178_V	239_I	0.527	0.83
54_H	58_A	0.523	0.82
67_L	74_D	0.523	0.82
69_D	72_T	0.523	0.82
58_A	99_Y	0.522	0.82
24_V	28_L	0.521	0.82
117_Y	151_Y	0.518	0.82
181_R	278_W	0.517	0.82
190_I	193_P	0.517	0.82
85_L	88_H	0.516	0.82
168_E	281_W	0.515	0.81
164_R	274_Y	0.514	0.81
191_L	200_A	0.513	0.81
100_G	185_E	0.512	0.81
218_V	257_I	0.511	0.81
109_Y	251_I	0.508	0.81
78_K	117_Y	0.508	0.81
205_H	248_Y	0.507	0.80
251_I	254_R	0.505	0.80
49_A	101_D	0.504	0.80
24_V	55_A	0.504	0.80
200_A	279_T	0.503	0.80
246_V	272_V	0.502	0.80
28_L	33_S	0.502	0.80
75_I	112_W	0.500	0.80
133_M	136_D	0.500	0.80

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
1uarA	1	0.9249	100	0.317	Contact Map
1urhA	1	0.8532	100	0.318	Contact Map
3aayA	1	0.942	100	0.321	Contact Map
1rhsA	1	0.9488	100	0.325	Contact Map
3hzuA	2	0.9659	100	0.327	Contact Map
1e0cA	1	0.9147	100	0.332	Contact Map
3utnX	1	0.9283	100	0.348	Contact Map
1okgA	1	0.9215	100	0.349	Contact Map
4jgtA	1	0.901	100	0.352	Contact Map
2wlrA	1	0.9727	100	0.356	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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