Q97UT3 - SULSO - GREMLIN Contacts

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Q97UT3 - 3'-phosphoadenosine 5'-phosphosulfate sulfotransferase (PAPS reductase) (CysH)

UniProt:	Q97UT3	Sequences: MLSKDELDSLNKLFEDKEPLEVLKWGIEKFYPKIALACSLQAEDLVILDMLSKVTEKPRVFIIDTGRLHQESYDLIEEIVKKYNIDLRIYFPDYKEVEDLVNKYGINLFYKSVELRKACCEVRKVRPLKRALDGMEAWITGLRREQNFTRGRIRKIEIDEVNGGIIKLNPLADWTWEQVWEYINKNNVPYNKLYDKGYKSIGCVPCTRPVKPWEHPRAGRWWWEQNSDKECGLHYREVK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	239 (204)
Sequences:	4642 (2726)
Seq/√Len:	190.9

ECOLI - CYSH CYSD
BACSU - CYSH2 CYSH1
HALSA - Q9HS08
SULSO - Q97UT3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
190_Y	195_D	3.911	1.00
33_K	136_E	3.891	1.00
49_D	53_K	3.321	1.00
70_Q	74_D	2.787	1.00
23_L	139_I	2.524	1.00
49_D	182_Y	2.370	1.00
121_E	126_R	2.361	1.00
59_R	88_R	2.325	1.00
119_C	206_C	2.289	1.00
78_E	82_K	2.249	1.00
30_F	137_A	2.181	1.00
107_N	110_Y	2.169	1.00
74_D	78_E	2.055	1.00
53_K	186_N	2.034	1.00
118_A	121_E	1.959	1.00
48_L	60_V	1.938	1.00
119_C	203_C	1.924	1.00
181_E	185_K	1.919	1.00
145_E	176_W	1.917	1.00
64_D	89_I	1.876	1.00
90_Y	131_A	1.812	1.00
178_Q	181_E	1.757	1.00
78_E	189_P	1.754	1.00
42_A	183_I	1.739	1.00
203_C	206_C	1.735	1.00
53_K	182_Y	1.731	1.00
98_E	102_N	1.721	1.00
22_V	155_K	1.693	1.00
175_T	178_Q	1.690	1.00
25_W	29_K	1.690	1.00
47_I	139_I	1.680	1.00
126_R	130_R	1.667	1.00
64_D	73_Y	1.663	1.00
62_I	68_L	1.637	1.00
120_C	203_C	1.624	1.00
57_K	86_D	1.609	1.00
70_Q	204_V	1.589	1.00
120_C	206_C	1.579	1.00
49_D	186_N	1.579	1.00
174_W	182_Y	1.578	1.00
214_E	218_A	1.554	1.00
99_D	103_K	1.522	1.00
49_D	52_S	1.518	1.00
190_Y	194_Y	1.479	1.00
137_A	168_L	1.478	1.00
26_G	34_I	1.473	1.00
177_E	181_E	1.469	1.00
72_S	191_N	1.458	1.00
215_H	218_A	1.451	1.00
22_V	173_D	1.449	1.00
19_P	50_M	1.446	1.00
140_T	169_N	1.400	1.00
24_K	54_V	1.395	1.00
26_G	168_L	1.384	1.00
208_R	222_W	1.383	1.00
129_K	163_G	1.369	1.00
42_A	201_I	1.361	1.00
199_K	210_V	1.354	1.00
144_R	172_A	1.354	1.00
180_W	190_Y	1.330	1.00
71_E	196_K	1.301	1.00
21_E	24_K	1.296	1.00
194_Y	199_K	1.294	1.00
20_L	24_K	1.290	1.00
36_L	47_I	1.283	1.00
30_F	166_I	1.282	1.00
36_L	51_L	1.278	1.00
77_E	81_K	1.264	1.00
40_L	76_I	1.261	1.00
23_L	50_M	1.260	1.00
47_I	171_L	1.254	1.00
153_I	172_A	1.224	1.00
182_Y	186_N	1.185	1.00
153_I	157_E	1.175	1.00
196_K	209_P	1.174	1.00
35_A	61_F	1.170	1.00
48_L	79_I	1.165	1.00
176_W	180_W	1.161	1.00
23_L	51_L	1.160	1.00
145_E	175_T	1.157	1.00
20_L	53_K	1.153	1.00
211_K	214_E	1.145	1.00
46_V	183_I	1.143	1.00
18_E	21_E	1.141	1.00
100_L	104_Y	1.139	1.00
50_M	182_Y	1.138	1.00
61_F	131_A	1.135	1.00
180_W	184_N	1.135	1.00
46_V	179_V	1.128	1.00
131_A	134_G	1.116	1.00
34_I	137_A	1.115	1.00
34_I	139_I	1.105	1.00
41_Q	44_D	1.102	1.00
50_M	54_V	1.085	1.00
59_R	86_D	1.085	1.00
82_K	187_N	1.070	1.00
46_V	182_Y	1.064	1.00
56_E	85_I	1.050	1.00
24_K	28_E	1.050	1.00
67_R	205_P	1.048	1.00
93_D	130_R	1.042	1.00
42_A	194_Y	1.042	1.00
142_L	172_A	1.042	1.00
142_L	169_N	1.042	1.00
159_D	163_G	1.030	1.00
142_L	153_I	1.030	1.00
37_A	61_F	1.025	1.00
39_S	44_D	1.023	1.00
52_S	83_Y	1.022	1.00
180_W	194_Y	1.018	1.00
156_I	168_L	1.015	1.00
80_V	87_L	1.012	1.00
65_T	124_K	0.993	0.99
100_L	108_L	0.987	0.99
88_R	135_M	0.984	0.99
42_A	180_W	0.981	0.99
20_L	50_M	0.979	0.99
27_I	30_F	0.979	0.99
45_L	79_I	0.979	0.99
20_L	54_V	0.975	0.99
193_L	201_I	0.971	0.99
176_W	216_P	0.967	0.99
49_D	83_Y	0.966	0.99
104_Y	118_A	0.951	0.99
46_V	49_D	0.944	0.99
96_E	126_R	0.943	0.99
154_R	172_A	0.941	0.99
15_E	18_E	0.940	0.99
77_E	80_V	0.939	0.99
183_I	188_V	0.936	0.99
35_A	138_W	0.932	0.99
148_F	151_G	0.928	0.99
154_R	157_E	0.925	0.99
16_D	20_L	0.921	0.99
80_V	86_D	0.910	0.99
21_E	25_W	0.909	0.99
144_R	173_D	0.906	0.99
126_R	129_K	0.904	0.99
59_R	135_M	0.900	0.99
73_Y	76_I	0.896	0.99
19_P	174_W	0.891	0.99
19_P	26_G	0.890	0.99
118_A	122_V	0.886	0.99
158_I	166_I	0.885	0.99
101_V	106_I	0.882	0.99
192_K	196_K	0.880	0.99
120_C	124_K	0.879	0.99
200_S	207_T	0.878	0.99
14_F	17_K	0.876	0.99
79_I	83_Y	0.874	0.99
90_Y	130_R	0.873	0.99
63_I	90_Y	0.870	0.99
183_I	190_Y	0.868	0.99
74_D	77_E	0.862	0.99
67_R	97_V	0.857	0.98
71_E	74_D	0.851	0.98
132_L	138_W	0.840	0.98
17_K	21_E	0.839	0.98
119_C	124_K	0.832	0.98
51_L	58_P	0.825	0.98
208_R	218_A	0.824	0.98
98_E	101_V	0.807	0.98
119_C	123_R	0.804	0.98
45_L	75_L	0.799	0.98
76_I	80_V	0.791	0.97
200_S	219_G	0.785	0.97
19_P	22_V	0.781	0.97
129_K	133_D	0.780	0.97
157_E	169_N	0.774	0.97
43_E	146_Q	0.773	0.97
90_Y	134_G	0.772	0.97
82_K	189_P	0.770	0.97
124_K	203_C	0.769	0.97
208_R	214_E	0.769	0.97
69_H	198_Y	0.766	0.97
62_I	76_I	0.765	0.97
22_V	168_L	0.758	0.97
46_V	174_W	0.748	0.96
155_K	173_D	0.744	0.96
155_K	172_A	0.743	0.96
181_E	184_N	0.731	0.96
14_F	18_E	0.730	0.96
78_E	192_K	0.729	0.96
78_E	81_K	0.725	0.96
176_W	199_K	0.723	0.96
77_E	89_I	0.722	0.96
66_G	91_F	0.720	0.96
43_E	194_Y	0.716	0.95
158_I	164_G	0.715	0.95
52_S	85_I	0.712	0.95
52_S	56_E	0.711	0.95
49_D	188_V	0.708	0.95
48_L	85_I	0.707	0.95
97_V	100_L	0.703	0.95
38_C	79_I	0.703	0.95
60_V	85_I	0.701	0.95
88_R	131_A	0.700	0.95
193_L	197_G	0.699	0.95
71_E	192_K	0.697	0.95
22_V	26_G	0.696	0.95
55_T	58_P	0.696	0.95
93_D	126_R	0.695	0.95
42_A	146_Q	0.692	0.94
14_F	156_I	0.690	0.94
106_I	109_F	0.690	0.94
74_D	192_K	0.689	0.94
46_V	171_L	0.688	0.94
67_R	204_V	0.688	0.94
210_V	214_E	0.688	0.94
184_N	195_D	0.686	0.94
96_E	99_D	0.686	0.94
75_L	192_K	0.682	0.94
128_L	132_L	0.676	0.94
86_D	135_M	0.674	0.94
37_A	199_K	0.674	0.94
215_H	221_W	0.674	0.94
51_L	56_E	0.671	0.94
65_T	202_G	0.671	0.94
38_C	45_L	0.668	0.93
93_D	96_E	0.666	0.93
217_R	221_W	0.665	0.93
106_I	110_Y	0.664	0.93
76_I	89_I	0.664	0.93
149_T	153_I	0.658	0.93
72_S	201_I	0.656	0.93
206_C	222_W	0.655	0.93
68_L	124_K	0.654	0.93
25_W	156_I	0.652	0.93
69_H	193_L	0.646	0.92
138_W	167_K	0.644	0.92
45_L	188_V	0.643	0.92
212_P	215_H	0.643	0.92
138_W	165_I	0.640	0.92
83_Y	188_V	0.638	0.92
190_Y	197_G	0.635	0.92
32_P	59_R	0.634	0.91
217_R	220_R	0.625	0.91
27_I	58_P	0.624	0.91
124_K	150_R	0.621	0.91
119_C	127_P	0.615	0.90
88_R	134_G	0.614	0.90
68_L	200_S	0.612	0.90
198_Y	209_P	0.609	0.90
26_G	137_A	0.604	0.89
39_S	147_N	0.601	0.89
61_F	128_L	0.597	0.89
18_E	155_K	0.595	0.89
151_G	172_A	0.592	0.88
132_L	135_M	0.591	0.88
174_W	178_Q	0.590	0.88
39_S	203_C	0.588	0.88
16_D	185_K	0.585	0.88
211_K	216_P	0.584	0.88
180_W	183_I	0.582	0.88
39_S	141_G	0.579	0.87
62_I	73_Y	0.577	0.87
43_E	180_W	0.576	0.87
130_R	134_G	0.575	0.87
104_Y	108_L	0.571	0.87
40_L	146_Q	0.570	0.87
158_I	165_I	0.570	0.87
147_N	150_R	0.569	0.86
90_Y	135_M	0.568	0.86
29_K	32_P	0.568	0.86
101_V	107_N	0.566	0.86
25_W	28_E	0.566	0.86
67_R	109_F	0.566	0.86
97_V	101_V	0.564	0.86
103_K	106_I	0.564	0.86
23_L	27_I	0.564	0.86
80_V	85_I	0.561	0.86
122_V	126_R	0.557	0.85
61_F	90_Y	0.557	0.85
41_Q	146_Q	0.556	0.85
75_L	190_Y	0.555	0.85
214_E	222_W	0.555	0.85
51_L	139_I	0.554	0.85
217_R	222_W	0.548	0.84
18_E	173_D	0.548	0.84
63_I	200_S	0.547	0.84
36_L	44_D	0.542	0.84
48_L	83_Y	0.541	0.84
64_D	91_F	0.540	0.84
214_E	217_R	0.538	0.83
63_I	128_L	0.537	0.83
145_E	151_G	0.537	0.83
143_R	180_W	0.533	0.83
184_N	190_Y	0.531	0.82
49_D	82_K	0.530	0.82
41_Q	179_V	0.529	0.82
46_V	186_N	0.529	0.82
106_I	111_K	0.529	0.82
93_D	103_K	0.525	0.82
45_L	183_I	0.525	0.82
53_K	177_E	0.524	0.82
37_A	138_W	0.518	0.81
107_N	111_K	0.517	0.81
50_M	171_L	0.517	0.81
63_I	140_T	0.517	0.81
128_L	138_W	0.513	0.80
70_Q	107_N	0.510	0.80
66_G	92_P	0.509	0.80
67_R	203_C	0.508	0.80
102_N	105_G	0.503	0.79
96_E	100_L	0.502	0.79
105_G	108_L	0.500	0.79

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
2oq2A	2	0.9707	100	0.282	Contact Map
4bwvA	2	0.8828	100	0.289	Contact Map
2goyA	3	0.9121	100	0.303	Contact Map
2o8vA	2	0.8954	100	0.332	Contact Map
1zunA	1	0.7197	100	0.394	Contact Map
3fwkA	1	0.887	100	0.429	Contact Map
2wsiA	1	0.8787	100	0.45	Contact Map
1surA	2	0.8368	100	0.505	Contact Map
2pg3A	2	0.8243	99.8	0.696	Contact Map
3bl5A	3	0.728	99.8	0.706	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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