IPYR - ECOLI - GREMLIN Contacts

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IPYR - Inorganic pyrophosphatase

UniProt:	P0A7A9	Sequences: MSLLNVPAGKDLPEDIYVVIEIPANADPIKYEIDKESGALFVDRFMSTAMFYPCNYGYINHTLSLDGDPVDVLVPTPYPLQPGSVIRCRPVGVLKMTDEAGEDAKLVAVPHSKLSKEYDHIKDVNDLPELLKAQIAHFFEHYKDLEKGKWVKVEGWENAEAAKAEIVASFERAKNK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG10755
Length:	176 (163)
Sequences:	2291 (1168)
Seq/√Len:	91.5

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
72_V	108_A	4.059	1.00
157_E	161_A	3.102	1.00
164_A	168_A	3.080	1.00
159_A	163_K	2.626	1.00
167_V	171_E	2.537	1.00
95_K	157_E	2.487	1.00
15_D	87_R	2.472	1.00
65_L	102_E	2.440	1.00
129_E	133_A	2.433	1.00
18_V	72_V	2.336	1.00
123_D	158_N	2.278	1.00
136_A	140_E	2.253	1.00
80_L	84_S	2.235	1.00
141_H	144_D	2.101	1.00
112_S	119_D	2.065	1.00
11_D	14_E	2.024	1.00
97_T	154_E	1.951	1.00
20_I	74_V	1.935	1.00
29_I	42_V	1.895	1.00
70_V	169_S	1.875	1.00
93_V	157_E	1.874	1.00
123_D	159_A	1.873	1.00
65_L	172_R	1.865	1.00
89_R	122_K	1.862	1.00
87_R	111_H	1.849	1.00
14_E	163_K	1.829	1.00
122_K	126_D	1.805	1.00
15_D	111_H	1.733	1.00
95_K	104_A	1.708	1.00
158_N	161_A	1.655	1.00
133_A	136_A	1.647	1.00
80_L	86_I	1.622	1.00
104_A	165_E	1.605	1.00
16_I	90_P	1.585	1.00
168_A	172_R	1.576	1.00
9_G	13_P	1.558	1.00
91_V	121_I	1.547	1.00
59_I	166_I	1.528	1.00
81_Q	84_S	1.516	1.00
12_L	170_F	1.451	0.99
93_V	165_E	1.431	0.99
171_E	174_K	1.427	0.99
163_K	167_V	1.422	0.99
164_A	167_V	1.397	0.99
17_Y	41_F	1.378	0.99
33_I	58_Y	1.366	0.99
16_I	88_C	1.358	0.99
16_I	72_V	1.352	0.99
34_D	37_S	1.350	0.99
137_H	144_D	1.340	0.99
137_H	141_H	1.333	0.99
90_P	166_I	1.332	0.99
18_V	88_C	1.331	0.99
90_P	106_L	1.318	0.99
64_S	169_S	1.285	0.99
16_I	59_I	1.269	0.99
86_I	110_P	1.248	0.98
39_A	85_V	1.228	0.98
124_V	127_L	1.225	0.98
11_D	15_D	1.218	0.98
93_V	162_A	1.204	0.98
47_S	116_K	1.203	0.98
161_A	164_A	1.175	0.98
107_V	132_K	1.140	0.97
33_I	37_S	1.128	0.97
136_A	155_G	1.120	0.97
29_I	55_N	1.110	0.97
97_T	101_G	1.109	0.97
97_T	102_E	1.101	0.97
8_A	59_I	1.091	0.96
95_K	154_E	1.082	0.96
17_Y	87_R	1.082	0.96
95_K	161_A	1.077	0.96
54_C	73_L	1.071	0.96
40_L	82_P	1.052	0.96
41_F	87_R	1.050	0.96
88_C	108_A	1.047	0.95
61_H	173_A	1.045	0.95
130_L	134_Q	1.039	0.95
160_E	164_A	1.031	0.95
42_V	45_F	1.029	0.95
33_I	40_L	1.015	0.95
93_V	106_L	1.012	0.95
50_M	141_H	1.006	0.94
97_T	152_K	0.984	0.94
17_Y	60_N	0.982	0.94
165_E	168_A	0.977	0.93
125_N	158_N	0.977	0.93
106_L	166_I	0.972	0.93
64_S	165_E	0.969	0.93
64_S	102_E	0.965	0.93
120_H	129_E	0.959	0.93
160_E	163_K	0.957	0.93
93_V	104_A	0.949	0.92
32_E	56_Y	0.937	0.92
9_G	12_L	0.934	0.92
123_D	160_E	0.934	0.92
64_S	172_R	0.918	0.91
170_F	174_K	0.912	0.91
24_A	76_T	0.889	0.90
165_E	169_S	0.887	0.90
45_F	76_T	0.883	0.89
56_Y	143_K	0.883	0.89
50_M	137_H	0.881	0.89
59_I	70_V	0.874	0.89
56_Y	105_K	0.871	0.89
75_P	127_L	0.871	0.89
8_A	170_F	0.870	0.89
107_V	124_V	0.866	0.88
55_N	80_L	0.839	0.87
146_E	149_K	0.839	0.87
32_E	143_K	0.834	0.87
117_E	131_L	0.831	0.86
48_T	137_H	0.826	0.86
29_I	81_Q	0.820	0.86
77_P	115_S	0.819	0.86
46_M	138_F	0.815	0.85
20_I	86_I	0.808	0.85
92_G	124_V	0.802	0.84
56_Y	98_D	0.802	0.84
32_E	98_D	0.788	0.83
158_N	164_A	0.786	0.83
77_P	117_E	0.783	0.83
98_D	105_K	0.777	0.82
68_D	71_D	0.771	0.82
136_A	156_W	0.770	0.82
136_A	153_V	0.767	0.82
131_L	135_I	0.767	0.82
34_D	41_F	0.767	0.82
125_N	132_K	0.758	0.81
94_L	153_V	0.757	0.81
47_S	115_S	0.755	0.81
98_D	103_D	0.751	0.80
40_L	81_Q	0.748	0.80
28_P	134_Q	0.740	0.79
68_D	98_D	0.737	0.79
75_P	131_L	0.735	0.79
132_K	156_W	0.733	0.79
54_C	135_I	0.731	0.78
64_S	104_A	0.725	0.78
51_F	78_Y	0.725	0.78
31_Y	43_D	0.724	0.78
46_M	52_Y	0.722	0.78
66_D	71_D	0.715	0.77
61_H	170_F	0.713	0.77
55_N	81_Q	0.707	0.76
87_R	112_S	0.705	0.76
39_A	60_N	0.705	0.76
94_L	135_I	0.699	0.75
116_K	119_D	0.698	0.75
145_L	149_K	0.696	0.75
117_E	121_I	0.692	0.75
70_V	100_A	0.689	0.74
94_L	156_W	0.684	0.74
119_D	164_A	0.684	0.74
42_V	55_N	0.679	0.73
91_V	127_L	0.678	0.73
96_M	151_V	0.673	0.72
133_A	147_K	0.671	0.72
31_Y	82_P	0.664	0.71
35_K	173_A	0.662	0.71
64_S	70_V	0.661	0.71
45_F	55_N	0.660	0.71
14_E	167_V	0.659	0.71
105_K	143_K	0.652	0.70
22_I	32_E	0.651	0.70
107_V	127_L	0.647	0.70
9_G	16_I	0.646	0.69
129_E	132_K	0.645	0.69
49_A	137_H	0.644	0.69
23_P	81_Q	0.642	0.69
54_C	75_P	0.640	0.69
56_Y	103_D	0.640	0.69
121_I	128_P	0.639	0.69
8_A	61_H	0.637	0.68
19_V	139_F	0.637	0.68
29_I	79_P	0.636	0.68
166_I	170_F	0.632	0.68
124_V	132_K	0.625	0.67
161_A	165_E	0.625	0.67
98_D	143_K	0.624	0.67
140_E	152_K	0.616	0.66
76_T	80_L	0.610	0.65
32_E	43_D	0.609	0.65
40_L	83_G	0.606	0.64
107_V	156_W	0.600	0.64
91_V	123_D	0.599	0.64
78_Y	116_K	0.599	0.64
62_T	69_P	0.596	0.63
95_K	102_E	0.595	0.63
26_A	78_Y	0.593	0.63
90_P	163_K	0.591	0.63
140_E	153_V	0.591	0.63
35_K	169_S	0.590	0.62
32_E	105_K	0.582	0.61
8_A	12_L	0.582	0.61
161_A	168_A	0.581	0.61
73_L	139_F	0.580	0.61
28_P	55_N	0.578	0.61
126_D	132_K	0.575	0.60
45_F	80_L	0.574	0.60
106_L	162_A	0.573	0.60
21_E	30_K	0.572	0.60
18_V	108_A	0.571	0.60
48_T	52_Y	0.564	0.59
91_V	125_N	0.562	0.59
46_M	49_A	0.560	0.58
59_I	106_L	0.559	0.58
25_N	130_L	0.557	0.58
55_N	76_T	0.557	0.58
34_D	43_D	0.557	0.58
22_I	105_K	0.552	0.57
74_V	88_C	0.551	0.57
168_A	171_E	0.550	0.57
19_V	60_N	0.549	0.57
63_L	67_G	0.547	0.57
80_L	88_C	0.544	0.56
125_N	129_E	0.543	0.56
153_V	157_E	0.540	0.56
18_V	74_V	0.538	0.55
70_V	165_E	0.537	0.55
45_F	110_P	0.533	0.55
62_T	166_I	0.530	0.54
16_I	163_K	0.529	0.54
89_R	119_D	0.528	0.54
74_V	86_I	0.528	0.54
75_P	135_I	0.524	0.54
164_A	171_E	0.522	0.53
120_H	168_A	0.521	0.53
16_I	111_H	0.517	0.53
25_N	78_Y	0.516	0.52
79_P	134_Q	0.516	0.52
59_I	88_C	0.516	0.52
22_I	143_K	0.516	0.52
14_E	159_A	0.513	0.52
34_D	73_L	0.511	0.52
32_E	103_D	0.508	0.51
41_F	85_V	0.508	0.51
159_A	162_A	0.507	0.51
142_Y	145_L	0.505	0.51
34_D	38_G	0.505	0.51
42_V	84_S	0.502	0.50
46_M	141_H	0.502	0.50
105_K	115_S	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
3fq3A	6	0.9773	100	0.069	Contact Map
3gvfA	5	0.983	100	0.075	Contact Map
3ld3A	5	0.9716	100	0.076	Contact Map
2au7A	5	0.9886	100	0.077	Contact Map
2bqxA	5	0.9432	100	0.079	Contact Map
3q46A	5	0.9716	100	0.079	Contact Map
3tr4A	5	0.9659	100	0.079	Contact Map
4lugA	3	0.9773	100	0.082	Contact Map
2prdA	5	0.9773	100	0.082	Contact Map
4xelA	3	0.9716	100	0.088	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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