SURE - HALSA - GREMLIN Contacts

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SURE - 5'-nucleotidase SurE

UniProt:	Q9HQB2	Sequences: MDADEPEILVTNDDGIDAPGIRALADGLDAVGNVTVVAPADNQSATGRAMSQEVAVHDHDLGYAVEGTPADCVVAGLEALGPYPDLVVSGVNEGGNLGMYVLGRSGTVSAAVEAAFFGVPAIAVSMYMREEQFGEPTAVADYEHAVDATTHLAHDAVTDGIFDTADYLNVNAPHPDADATGEMVVTRPSHAYDMTAAQTGDTVTLYDRLWEAMAAGDIHDPDGTDRRAVLDGHVSVSPLTAPHSTEHHDALDGIATEF	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	258 (230)
Sequences:	3020 (1981)
Seq/√Len:	130.6

ECOLI - SURE
HALSA - SURE

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_E	33_N	4.861	1.00
184_V	233_H	3.931	1.00
114_A	121_A	3.694	1.00
227_R	231_D	3.271	1.00
28_L	88_V	3.254	1.00
87_V	114_A	3.109	1.00
186_T	235_S	3.082	1.00
175_P	232_G	2.946	1.00
182_E	233_H	2.814	1.00
57_H	202_T	2.741	1.00
26_D	146_V	2.740	1.00
124_V	172_A	2.704	1.00
228_A	235_S	2.631	1.00
199_T	207_D	2.427	1.00
10_V	25_A	2.381	1.00
170_V	236_V	2.317	1.00
124_V	149_T	2.281	1.00
181_G	233_H	2.207	1.00
27_G	30_A	2.151	1.00
186_T	228_A	2.121	1.00
7_E	35_T	2.106	1.00
200_G	208_R	2.066	1.00
93_E	142_Y	2.055	1.00
31_V	154_H	2.049	1.00
7_E	82_P	2.020	1.00
46_T	49_A	1.975	1.00
86_L	153_A	1.940	1.00
54_V	66_E	1.910	1.00
43_Q	46_T	1.909	1.00
147_D	177_A	1.902	1.00
229_V	235_S	1.868	1.00
122_I	170_V	1.856	1.00
79_A	199_T	1.838	1.00
145_A	172_A	1.812	1.00
97_L	229_V	1.805	1.00
47_G	109_S	1.797	1.00
30_A	150_T	1.784	1.00
124_V	170_V	1.778	1.00
40_A	43_Q	1.753	1.00
11_T	110_A	1.728	1.00
25_A	36_V	1.724	1.00
19_P	23_A	1.723	1.00
202_T	206_Y	1.720	1.00
148_A	234_V	1.705	1.00
27_G	146_V	1.674	1.00
88_V	124_V	1.617	1.00
8_I	86_L	1.582	1.00
187_R	223_G	1.549	1.00
58_D	61_L	1.548	1.00
59_H	62_G	1.521	1.00
23_A	27_G	1.521	1.00
75_A	209_L	1.503	1.00
148_A	172_A	1.500	1.00
166_D	245_T	1.493	1.00
37_V	76_G	1.490	1.00
23_A	146_V	1.479	1.00
95_G	127_Y	1.470	1.00
25_A	62_G	1.424	1.00
104_R	113_E	1.414	1.00
115_A	167_Y	1.403	1.00
155_D	159_D	1.390	1.00
10_V	34_V	1.364	1.00
170_V	234_V	1.362	1.00
176_D	179_A	1.362	1.00
151_H	155_D	1.356	1.00
108_V	239_L	1.355	1.00
150_T	154_H	1.350	1.00
19_P	93_E	1.349	1.00
141_D	144_H	1.346	1.00
187_R	224_T	1.324	1.00
89_S	110_A	1.318	1.00
203_V	210_W	1.313	1.00
27_G	150_T	1.311	1.00
11_T	89_S	1.307	1.00
18_A	93_E	1.300	1.00
77_L	119_V	1.296	1.00
25_A	29_D	1.283	1.00
74_V	197_A	1.242	1.00
188_P	237_S	1.236	1.00
31_V	150_T	1.232	1.00
27_G	147_D	1.226	1.00
184_V	223_G	1.226	1.00
111_A	121_A	1.214	1.00
35_T	63_Y	1.208	0.99
40_A	66_E	1.205	0.99
181_G	232_G	1.204	0.99
148_A	180_T	1.190	0.99
156_A	160_G	1.178	0.99
201_D	207_D	1.159	0.99
10_V	88_V	1.136	0.99
147_D	151_H	1.135	0.99
228_A	233_H	1.123	0.99
120_P	160_G	1.121	0.99
240_T	245_T	1.121	0.99
22_R	26_D	1.112	0.99
184_V	231_D	1.109	0.99
55_A	210_W	1.098	0.99
10_V	28_L	1.094	0.99
28_L	31_V	1.087	0.99
112_V	241_A	1.079	0.99
223_G	227_R	1.073	0.99
97_L	100_Y	1.073	0.99
77_L	117_F	1.063	0.99
51_S	71_D	1.062	0.99
128_M	174_H	1.030	0.98
48_R	109_S	1.029	0.98
42_N	93_E	1.028	0.98
84_P	119_V	1.005	0.98
11_T	73_V	0.997	0.98
163_D	166_D	0.996	0.98
108_V	167_Y	0.988	0.98
153_A	157_V	0.985	0.98
101_V	108_V	0.984	0.98
148_A	183_M	0.982	0.98
116_F	167_Y	0.981	0.98
56_V	66_E	0.966	0.98
27_G	149_T	0.959	0.97
154_H	158_T	0.956	0.97
48_R	113_E	0.950	0.97
81_G	84_P	0.947	0.97
100_Y	191_A	0.943	0.97
124_V	153_A	0.941	0.97
197_A	211_E	0.931	0.97
149_T	153_A	0.929	0.97
21_I	38_A	0.905	0.96
220_D	223_G	0.902	0.96
83_Y	119_V	0.902	0.96
222_D	227_R	0.900	0.96
204_T	210_W	0.898	0.96
175_P	180_T	0.897	0.96
16_I	64_A	0.895	0.96
58_D	62_G	0.890	0.96
100_Y	104_R	0.887	0.96
31_V	153_A	0.886	0.96
10_V	21_I	0.883	0.96
183_M	236_V	0.879	0.96
199_T	209_L	0.878	0.96
87_V	121_A	0.878	0.96
127_Y	229_V	0.874	0.96
175_P	179_A	0.865	0.95
112_V	167_Y	0.852	0.95
37_V	80_L	0.852	0.95
23_A	26_D	0.852	0.95
33_N	82_P	0.848	0.95
126_M	145_A	0.847	0.95
202_T	205_L	0.844	0.95
8_I	32_G	0.843	0.95
126_M	142_Y	0.835	0.94
238_P	244_S	0.835	0.94
162_F	166_D	0.828	0.94
96_N	107_T	0.824	0.94
43_Q	65_V	0.811	0.93
28_L	153_A	0.806	0.93
221_P	224_T	0.805	0.93
35_T	84_P	0.803	0.93
35_T	82_P	0.802	0.93
144_H	177_A	0.802	0.93
57_H	208_R	0.797	0.93
115_A	121_A	0.786	0.92
18_A	21_I	0.785	0.92
45_A	52_Q	0.780	0.92
6_P	157_V	0.779	0.92
13_D	96_N	0.779	0.92
98_G	235_S	0.778	0.92
128_M	131_E	0.778	0.92
22_R	25_A	0.776	0.92
146_V	150_T	0.775	0.92
16_I	62_G	0.768	0.91
29_D	60_D	0.766	0.91
108_V	123_A	0.766	0.91
185_V	236_V	0.764	0.91
149_T	170_V	0.764	0.91
20_G	91_V	0.763	0.91
98_G	189_S	0.762	0.91
145_A	149_T	0.758	0.91
25_A	34_V	0.757	0.91
31_V	146_V	0.755	0.91
152_L	183_M	0.753	0.91
73_V	87_V	0.751	0.90
220_D	230_L	0.750	0.90
9_L	76_G	0.749	0.90
42_N	45_A	0.747	0.90
7_E	85_D	0.743	0.90
175_P	181_G	0.741	0.90
43_Q	68_T	0.731	0.89
26_D	143_E	0.729	0.89
155_D	158_T	0.729	0.89
152_L	170_V	0.725	0.89
48_R	112_V	0.721	0.89
231_D	235_S	0.719	0.88
13_D	107_T	0.718	0.88
53_E	204_T	0.717	0.88
30_A	34_V	0.710	0.88
159_D	164_T	0.709	0.88
202_T	210_W	0.708	0.88
151_H	154_H	0.707	0.88
109_S	240_T	0.706	0.87
127_Y	186_T	0.700	0.87
30_A	146_V	0.698	0.87
112_V	243_H	0.694	0.87
70_A	112_V	0.690	0.86
21_I	36_V	0.688	0.86
162_F	168_L	0.688	0.86
28_L	32_G	0.687	0.86
76_G	79_A	0.686	0.86
97_L	226_R	0.685	0.86
48_R	104_R	0.684	0.86
41_D	66_E	0.681	0.86
88_V	122_I	0.680	0.85
45_A	109_S	0.674	0.85
170_V	183_M	0.670	0.85
75_A	79_A	0.670	0.85
160_G	170_V	0.670	0.85
51_S	55_A	0.667	0.84
204_T	208_R	0.667	0.84
42_N	53_E	0.666	0.84
79_A	209_L	0.665	0.84
123_A	237_S	0.662	0.84
8_I	28_L	0.657	0.83
50_M	70_A	0.651	0.83
228_A	231_D	0.650	0.83
179_A	232_G	0.650	0.83
115_A	165_A	0.647	0.83
88_V	149_T	0.646	0.82
144_H	175_P	0.644	0.82
183_M	234_V	0.644	0.82
100_Y	113_E	0.643	0.82
144_H	148_A	0.643	0.82
55_A	203_V	0.641	0.82
19_P	22_R	0.641	0.82
32_G	157_V	0.640	0.82
28_L	124_V	0.640	0.82
101_V	239_L	0.640	0.82
70_A	241_A	0.639	0.82
98_G	226_R	0.638	0.82
141_D	176_D	0.637	0.82
91_V	149_T	0.635	0.81
86_L	122_I	0.633	0.81
52_Q	100_Y	0.630	0.81
6_P	85_D	0.624	0.80
72_C	104_R	0.624	0.80
35_T	81_G	0.623	0.80
167_Y	239_L	0.622	0.80
141_D	174_H	0.618	0.80
86_L	121_A	0.618	0.80
84_P	118_G	0.617	0.79
151_H	177_A	0.610	0.79
239_L	243_H	0.609	0.79
29_D	32_G	0.609	0.79
26_D	178_D	0.608	0.78
33_N	62_G	0.607	0.78
14_D	96_N	0.607	0.78
49_A	68_T	0.606	0.78
172_A	180_T	0.606	0.78
121_A	167_Y	0.603	0.78
20_G	142_Y	0.603	0.78
154_H	170_V	0.602	0.78
165_A	190_H	0.601	0.78
102_L	241_A	0.599	0.77
73_V	77_L	0.594	0.77
224_T	227_R	0.593	0.77
95_G	126_M	0.593	0.77
37_V	72_C	0.587	0.76
162_F	165_A	0.585	0.76
147_D	158_T	0.583	0.76
149_T	152_L	0.583	0.76
158_T	164_T	0.583	0.76
10_V	91_V	0.582	0.75
144_H	176_D	0.579	0.75
74_V	113_E	0.578	0.75
102_L	112_V	0.576	0.75
48_R	70_A	0.575	0.75
67_G	71_D	0.574	0.74
202_T	208_R	0.573	0.74
99_M	193_D	0.573	0.74
72_C	113_E	0.571	0.74
92_N	96_N	0.571	0.74
74_V	99_M	0.569	0.74
18_A	128_M	0.568	0.74
167_Y	241_A	0.568	0.74
102_L	243_H	0.567	0.74
20_G	38_A	0.567	0.74
16_I	38_A	0.564	0.73
152_L	236_V	0.563	0.73
147_D	178_D	0.563	0.73
143_E	147_D	0.562	0.73
65_V	75_A	0.561	0.73
184_V	228_A	0.561	0.73
35_T	61_L	0.561	0.73
209_L	214_A	0.559	0.72
20_G	24_L	0.554	0.72
65_V	72_C	0.552	0.72
101_V	197_A	0.552	0.72
218_I	230_L	0.551	0.71
56_V	65_V	0.551	0.71
209_L	213_M	0.549	0.71
99_M	191_A	0.549	0.71
45_A	53_E	0.548	0.71
7_E	84_P	0.546	0.71
203_V	206_Y	0.546	0.71
45_A	101_V	0.545	0.71
7_E	81_G	0.545	0.71
27_G	88_V	0.544	0.70
10_V	36_V	0.543	0.70
183_M	233_H	0.541	0.70
40_A	64_A	0.540	0.70
97_L	191_A	0.539	0.70
31_V	157_V	0.537	0.69
73_V	114_A	0.536	0.69
140_A	164_T	0.536	0.69
144_H	153_A	0.535	0.69
144_H	147_D	0.534	0.69
56_V	72_C	0.534	0.69
185_V	238_P	0.533	0.69
93_E	128_M	0.533	0.69
43_Q	49_A	0.531	0.69
201_D	206_Y	0.530	0.69
37_V	65_V	0.530	0.69
222_D	231_D	0.529	0.68
9_L	114_A	0.529	0.68
17_D	40_A	0.528	0.68
43_Q	66_E	0.526	0.68
48_R	116_F	0.526	0.68
194_M	214_A	0.521	0.67
24_L	149_T	0.521	0.67
200_G	210_W	0.520	0.67
188_P	244_S	0.520	0.67
144_H	180_T	0.518	0.67
229_V	232_G	0.518	0.67
109_S	243_H	0.516	0.66
42_N	74_V	0.515	0.66
148_A	151_H	0.514	0.66
240_T	243_H	0.511	0.66
49_A	70_A	0.511	0.66
203_V	213_M	0.509	0.65
148_A	177_A	0.507	0.65
154_H	157_V	0.506	0.65
20_G	71_D	0.504	0.65
120_P	168_L	0.504	0.65
47_G	104_R	0.504	0.65
25_A	28_L	0.504	0.65
71_D	100_Y	0.503	0.65
87_V	119_V	0.503	0.65
128_M	140_A	0.501	0.64
92_N	107_T	0.500	0.64

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
2wqkA	3	0.9341	100	0.103	Contact Map
3ty2A	2	0.938	100	0.106	Contact Map
4zg5D	3	0.9535	100	0.11	Contact Map
1j9jA	3	0.9225	100	0.114	Contact Map
1l5xA	4	0.9612	100	0.115	Contact Map
2v4nA	2	0.9302	100	0.122	Contact Map
2e6cA	4	0.8992	100	0.124	Contact Map
3otiA	2	0.8682	85.7	0.939	Contact Map
3h4tA	1	0.7984	80.1	0.943	Contact Map
3ot5A	2	0.876	76.1	0.945	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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