IPYR - SULSO - GREMLIN Contacts

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IPYR - Inorganic pyrophosphatase

UniProt:	Q97W51	Sequences: MKLGPGKKAPDEINVFIEIPMGSNIKYEYDEEEDIIKVDRVLYTSMVYPFNYGFIPETLEEDGDPLDVLVLGNYSLMPGTVIEARPIGMIYMRDEEGEDAKVIAVPRNKTDPSFSNINDVKDLPEAIRNKIVHFFEHYKELEPNKWVKISGWGSVAEAKERIKKAIERKKQG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	172 (161)
Sequences:	2299 (1152)
Seq/√Len:	90.8

ECOLI - IPYR
HALSA - IPYR
SULSO - IPYR

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
68_V	104_A	4.115	1.00
153_G	157_E	3.182	1.00
160_E	164_K	3.134	1.00
155_V	159_K	2.690	1.00
91_Y	153_G	2.543	1.00
12_E	83_E	2.522	1.00
61_E	98_E	2.505	1.00
163_K	167_E	2.462	1.00
15_V	68_V	2.425	1.00
125_E	129_N	2.385	1.00
119_D	154_S	2.379	1.00
76_L	80_T	2.340	1.00
132_V	136_E	2.285	1.00
137_H	140_E	2.140	1.00
8_K	11_D	2.115	1.00
66_L	165_A	1.972	1.00
17_I	70_V	1.929	1.00
11_D	159_K	1.926	1.00
119_D	155_V	1.924	1.00
25_I	38_V	1.918	1.00
85_R	118_N	1.912	1.00
89_M	153_G	1.910	1.00
93_R	150_S	1.909	1.00
61_E	168_R	1.903	1.00
12_E	107_R	1.813	1.00
83_E	107_R	1.810	1.00
91_Y	100_A	1.769	1.00
154_S	157_E	1.763	1.00
118_N	122_D	1.759	1.00
87_I	117_I	1.709	1.00
129_N	132_V	1.677	1.00
164_K	168_R	1.662	1.00
100_A	161_R	1.650	1.00
76_L	82_I	1.594	1.00
9_A	166_I	1.583	1.00
13_I	86_P	1.579	1.00
77_M	80_T	1.566	1.00
13_I	68_V	1.499	1.00
55_I	162_I	1.463	1.00
167_E	170_K	1.457	0.99
159_K	163_K	1.442	0.99
89_M	161_R	1.440	0.99
160_E	163_K	1.424	0.99
133_H	137_H	1.424	0.99
13_I	84_A	1.413	0.99
14_N	37_K	1.381	0.99
15_V	84_A	1.370	0.99
29_Y	54_F	1.363	0.99
86_P	102_V	1.351	0.99
86_P	162_I	1.338	0.99
30_D	33_E	1.315	0.99
133_H	140_E	1.315	0.99
13_I	55_I	1.315	0.99
60_E	165_A	1.262	0.99
82_I	106_P	1.248	0.98
35_I	81_V	1.244	0.98
8_K	12_E	1.229	0.98
89_M	158_A	1.200	0.98
120_V	123_L	1.195	0.98
157_E	160_E	1.178	0.98
93_R	97_G	1.165	0.98
142_E	145_K	1.158	0.97
25_I	51_N	1.151	0.97
91_Y	150_S	1.145	0.97
132_V	151_G	1.132	0.97
29_Y	33_E	1.124	0.97
93_R	98_E	1.117	0.97
57_E	169_K	1.105	0.97
91_Y	157_E	1.104	0.97
116_N	125_E	1.098	0.96
50_F	69_L	1.090	0.96
14_N	83_E	1.078	0.96
103_I	128_R	1.075	0.96
156_A	159_K	1.068	0.96
46_M	137_H	1.057	0.96
161_R	164_K	1.048	0.95
43_Y	112_P	1.042	0.95
156_A	160_E	1.035	0.95
84_A	104_A	1.029	0.95
121_K	154_S	1.028	0.95
14_N	56_P	1.021	0.95
93_R	148_K	1.015	0.94
89_M	100_A	1.006	0.94
30_D	37_K	1.005	0.94
36_I	78_P	1.004	0.94
102_V	162_I	1.002	0.94
37_K	83_E	1.001	0.94
126_A	130_K	0.996	0.94
40_R	142_E	0.995	0.94
89_M	102_V	0.987	0.94
166_I	170_K	0.983	0.94
29_Y	36_I	0.981	0.93
60_E	161_R	0.967	0.93
103_I	120_V	0.928	0.91
55_I	66_L	0.926	0.91
52_Y	139_K	0.921	0.91
28_E	52_Y	0.921	0.91
28_E	139_K	0.910	0.91
60_E	98_E	0.906	0.90
60_E	168_R	0.900	0.90
46_M	133_H	0.899	0.90
113_S	127_I	0.878	0.89
25_I	77_M	0.877	0.89
121_K	128_R	0.875	0.89
52_Y	101_K	0.868	0.88
161_R	165_A	0.867	0.88
106_P	110_T	0.864	0.88
21_M	72_G	0.863	0.88
51_N	76_L	0.847	0.87
103_I	123_L	0.835	0.86
132_V	149_I	0.827	0.86
41_V	72_G	0.816	0.85
113_S	117_I	0.815	0.85
64_D	94_D	0.809	0.85
44_T	133_H	0.803	0.84
57_E	166_I	0.794	0.84
119_D	156_A	0.787	0.83
64_D	67_D	0.785	0.83
132_V	152_W	0.784	0.83
38_V	41_V	0.779	0.82
73_N	113_S	0.776	0.82
71_L	123_L	0.776	0.82
52_Y	94_D	0.772	0.82
90_I	149_I	0.766	0.81
42_L	134_F	0.765	0.81
115_S	160_E	0.761	0.81
154_S	160_E	0.761	0.81
27_Y	39_D	0.755	0.80
17_I	82_I	0.747	0.80
51_N	77_M	0.741	0.79
90_I	152_W	0.725	0.78
71_L	127_I	0.724	0.77
127_I	131_I	0.723	0.77
88_G	120_V	0.722	0.77
60_E	100_A	0.718	0.77
50_F	131_I	0.718	0.77
112_P	115_S	0.717	0.77
31_E	169_K	0.717	0.77
94_D	101_K	0.712	0.76
36_I	77_M	0.712	0.76
35_I	56_P	0.711	0.76
19_I	28_E	0.711	0.76
28_E	94_D	0.707	0.76
94_D	99_D	0.705	0.76
90_I	131_I	0.697	0.75
50_F	71_L	0.694	0.74
87_I	123_L	0.691	0.74
47_V	74_Y	0.689	0.74
128_R	152_W	0.678	0.73
41_V	51_N	0.675	0.72
101_K	139_K	0.669	0.72
27_Y	78_P	0.662	0.71
43_Y	111_D	0.657	0.70
24_N	130_K	0.656	0.70
25_I	75_S	0.656	0.70
62_D	67_D	0.656	0.70
60_E	66_L	0.655	0.70
162_I	166_I	0.655	0.70
52_Y	99_D	0.655	0.70
22_G	126_A	0.645	0.69
73_N	111_D	0.639	0.68
87_I	119_D	0.637	0.68
94_D	139_K	0.637	0.68
38_V	51_N	0.634	0.68
36_I	79_G	0.631	0.67
24_N	41_V	0.628	0.67
66_L	96_E	0.627	0.67
40_R	45_S	0.624	0.66
30_D	34_D	0.623	0.66
11_D	163_K	0.623	0.66
157_E	161_R	0.617	0.66
121_K	125_E	0.616	0.65
164_K	167_E	0.612	0.65
117_I	124_P	0.608	0.64
126_A	129_N	0.608	0.64
120_V	128_R	0.606	0.64
136_E	149_I	0.605	0.64
20_P	77_M	0.603	0.64
141_L	145_K	0.601	0.64
22_G	74_Y	0.600	0.63
74_Y	112_P	0.599	0.63
24_N	51_N	0.597	0.63
16_F	135_F	0.593	0.63
157_E	164_K	0.592	0.62
123_L	128_R	0.592	0.62
13_I	107_R	0.589	0.62
86_P	159_K	0.586	0.62
41_V	44_T	0.585	0.61
28_E	101_K	0.585	0.61
55_I	84_A	0.584	0.61
92_M	139_K	0.584	0.61
15_V	70_V	0.583	0.61
28_E	39_D	0.582	0.61
70_V	84_A	0.580	0.61
70_V	82_I	0.579	0.61
72_G	76_L	0.576	0.60
103_I	152_W	0.572	0.60
59_L	63_G	0.567	0.59
83_E	110_T	0.566	0.59
55_I	68_V	0.566	0.59
51_N	72_G	0.565	0.59
69_L	135_F	0.561	0.58
91_Y	98_E	0.560	0.58
19_I	101_K	0.559	0.58
16_F	56_P	0.558	0.58
31_E	165_A	0.557	0.58
107_R	110_T	0.555	0.57
122_D	128_R	0.555	0.57
92_M	95_E	0.552	0.57
125_E	128_R	0.551	0.57
112_P	126_A	0.551	0.57
55_I	102_V	0.548	0.57
9_A	13_I	0.546	0.56
15_V	104_A	0.545	0.56
28_E	99_D	0.545	0.56
9_A	12_E	0.540	0.55
85_R	105_V	0.540	0.55
30_D	39_D	0.538	0.55
85_R	115_S	0.537	0.55
58_T	162_I	0.535	0.55
156_A	163_K	0.533	0.54
76_L	84_A	0.532	0.54
42_L	45_S	0.529	0.54
127_I	130_K	0.529	0.54
75_S	130_K	0.529	0.54
9_A	162_I	0.528	0.54
19_I	139_K	0.527	0.54
13_I	159_K	0.526	0.54
19_I	52_Y	0.524	0.53
155_V	158_A	0.523	0.53
102_V	158_A	0.523	0.53
66_L	161_R	0.518	0.52
95_E	149_I	0.516	0.52
12_E	159_K	0.516	0.52
19_I	99_D	0.512	0.52
117_I	123_L	0.512	0.52
19_I	29_Y	0.509	0.51
58_T	65_P	0.508	0.51
38_V	82_I	0.506	0.51
160_E	167_E	0.501	0.50
113_S	116_N	0.501	0.50
30_D	69_L	0.500	0.50

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
3q46A	5	0.9767	100	0.068	Contact Map
2prdA	5	0.9826	100	0.069	Contact Map
1qezA	5	0.9826	100	0.074	Contact Map
2au7A	5	1	100	0.076	Contact Map
4lugA	3	0.9826	100	0.079	Contact Map
3fq3A	6	0.9884	100	0.079	Contact Map
3ld3A	5	0.9884	100	0.082	Contact Map
3gvfA	5	0.9942	100	0.082	Contact Map
3tr4A	5	0.9884	100	0.083	Contact Map
2bqxA	5	0.9651	100	0.084	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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