OPENSEQ.org - IPYR - ECOLI GREMLIN

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IPYR - Inorganic pyrophosphatase

UniProt:	P0A7A9	Sequence MSLLNVPAGKDLPEDIYVVIEIPANADPIKYEIDKESGALFVDRFMSTAMFYPCNYGYINHTLSLDGDPVDVLVPTPYPLQPGSVIRCRPVGVLKMTDEAGEDAKLVAVPHSKLSKEYDHIKDVNDLPELLKAQIAHFFEHYKDLEKGKWVKVEGWENAEAAKAEIVASFERAKNK	Download Alignment We filter this alignment to remove sites that have > 75% gaps before running GREMLIN.
EcoGene:	EG10755
Length:	176 (175)
Sequences:	1254
Seq/Len:	7.17

IPYR
Paralog alert: 0.08 [within 20: 0.01] - ratio of genomes with paralogs

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Scaled Score	Prob
72_V	108_A	4.041	1.00
164_A	168_A	3.065	1.00
157_E	161_A	2.922	1.00
171_E	175_N	2.724	1.00
167_V	171_E	2.613	1.00
159_A	163_K	2.432	1.00
136_A	140_E	2.384	1.00
89_R	122_K	2.377	1.00
123_D	158_N	2.375	1.00
141_H	144_D	2.349	1.00
129_E	133_A	2.323	1.00
11_D	14_E	2.318	1.00
18_V	72_V	2.079	1.00
65_L	102_E	2.044	1.00
93_V	157_E	1.937	1.00
106_L	166_I	1.911	1.00
123_D	159_A	1.903	1.00
95_K	157_E	1.9	1.00
112_S	119_D	1.897	1.00
91_V	121_I	1.863	1.00
15_D	111_H	1.85	1.00
122_K	126_D	1.85	1.00
80_L	84_S	1.834	1.00
81_Q	84_S	1.717	1.00
70_V	169_S	1.712	1.00
14_E	163_K	1.625	1.00
15_D	87_R	1.612	1.00
133_A	136_A	1.597	1.00
160_E	164_A	1.585	1.00
9_G	13_P	1.559	1.00
16_I	59_I	1.491	0.99
39_A	85_V	1.458	0.99
29_I	42_V	1.456	0.99
97_T	154_E	1.454	0.99
16_I	90_P	1.433	0.99
80_L	86_I	1.422	0.99
61_H	173_A	1.42	0.99
171_E	174_K	1.414	0.99
95_K	104_A	1.404	0.99
65_L	172_R	1.389	0.99
170_F	174_K	1.382	0.99
158_N	161_A	1.369	0.99
8_A	59_I	1.364	0.99
29_I	55_N	1.348	0.98
107_V	127_L	1.347	0.98
20_I	74_V	1.345	0.98
168_A	172_R	1.34	0.98
92_G	124_V	1.339	0.98
93_V	165_E	1.326	0.98
12_L	170_F	1.316	0.98
137_H	141_H	1.304	0.98
124_V	127_L	1.301	0.98
137_H	144_D	1.294	0.98
33_I	37_S	1.279	0.97
163_K	167_V	1.26	0.97
16_I	88_C	1.245	0.97
2_S	5_N	1.243	0.97
59_I	166_I	1.239	0.97
161_A	164_A	1.234	0.97
64_S	169_S	1.226	0.97
123_D	160_E	1.208	0.96
90_P	106_L	1.204	0.96
17_Y	41_F	1.204	0.96
93_V	162_A	1.202	0.96
165_E	168_A	1.188	0.96
90_P	166_I	1.174	0.95
97_T	101_G	1.153	0.95
104_A	165_E	1.139	0.94
87_R	111_H	1.137	0.94
164_A	167_V	1.123	0.94
86_I	110_P	1.118	0.93
88_C	108_A	1.1	0.93
8_A	170_F	1.099	0.93
125_N	132_K	1.099	0.93
16_I	72_V	1.061	0.91
165_E	169_S	1.054	0.90
6_V	85_V	1.051	0.90
61_H	174_K	1.045	0.90
160_E	163_K	1.039	0.90
130_L	134_Q	1.038	0.90
33_I	58_Y	1.038	0.90
11_D	15_D	1.035	0.89
9_G	12_L	1.035	0.89
56_Y	98_D	1.027	0.89

Legend: The i and j are positions as given in the UniProt sequence. Only predictions with Scaled Score = (raw_score/average(raw_scores)) > 1 are listed. For all 3L/2 predictions, click on one of the links below.

Text file of predictions (all 3L/2 predictions)
Generate restraints for ROSETTA Structure Modeling

HHsearch Results: GREMLIN results overlayed on top 10 PDB hits:

Legend: Blue filled circles are GREMLIN results (Scaled_score >1). The grey/red filled circles underneath are pdb residue contacts (min distance < 5 Angstroms). The shade of the circles is based on 10 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	P(%)	HHΔ		Acc
3gvfA	1	0.9943	100	0.034	Contact Map	0.727
3ld3A	2	1	100	0.037	Contact Map	0.759
3fq3A	12	0.9943	100	0.042	Contact Map	0.821
3q46A	1	0.9773	100	0.045	Contact Map	0.742
2au7A	1	0.9943	100	0.045	Contact Map	0.808
3tr4A	6	0.9943	100	0.045	Contact Map	0.743
2bqxA	1	0.983	100	0.053	Contact Map	0.723
2prdA	1	0.9773	100	0.064	Contact Map	0.73
3d53A	6	0.9716	100	0.067	Contact Map	0.915
1qezA	6	0.9773	100	0.067	Contact Map	0.816

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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