CHAC - ECOLI - GREMLIN Contacts

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CHAC - Glutathione-specific gamma-glutamylcyclotransferase

UniProt:	P39163	Sequences: MITRDFLMNADCKTAFGAIEESLLWSAEQRAASLAATLACRPDEGPVWIFGYGSLMWNPALEFTESCTGTLVGWHRAFCLRLTAGRGTAHQPGRMLALKEGGRTTGVAYRLPEETLEQELTLLWKREMITGCYLPTWCQLDLDDGRTVNAIVFIMDPRHPEYESDTRAQVIAPLIAAASGPLGTNAQYLFSLEQELIKLGMQDDGLNDLLVSVKKLLAENFPDGVLRPGFA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG12403
Length:	231 (180)
Sequences:	839 (564)
Seq/√Len:	42.0

ECOLI - CHAC

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
189_L	213_V	4.725	1.00
65_E	110_R	4.722	1.00
175_I	189_L	3.511	1.00
197_I	207_N	2.945	1.00
81_R	163_E	2.766	1.00
193_E	207_N	2.688	1.00
82_L	95_M	2.686	1.00
207_N	210_L	2.353	1.00
187_Q	191_S	2.321	1.00
78_F	189_L	2.276	1.00
85_G	182_L	2.064	0.99
60_A	122_L	2.043	0.99
175_I	185_N	2.037	0.99
78_F	175_I	2.032	0.99
212_S	215_K	2.008	0.99
124_W	128_M	1.988	0.99
48_W	110_R	1.982	0.99
124_W	153_F	1.968	0.99
69_G	138_C	1.908	0.99
196_L	206_L	1.904	0.99
80_L	97_A	1.883	0.99
193_E	210_L	1.866	0.99
210_L	214_K	1.853	0.98
94_R	192_L	1.845	0.98
94_R	166_T	1.843	0.98
129_I	161_E	1.757	0.98
66_S	107_V	1.747	0.98
197_I	210_L	1.741	0.98
163_E	166_T	1.716	0.97
49_I	123_L	1.625	0.96
168_A	209_L	1.601	0.96
46_P	110_R	1.575	0.96
46_P	113_E	1.543	0.95
91_Q	177_A	1.540	0.95
179_S	184_T	1.527	0.95
174_L	178_A	1.494	0.94
208_D	212_S	1.482	0.94
70_T	105_T	1.454	0.93
80_L	132_C	1.440	0.93
190_F	210_L	1.438	0.93
186_A	190_F	1.430	0.93
128_M	135_P	1.392	0.92
172_A	175_I	1.386	0.92
80_L	155_M	1.373	0.91
82_L	85_G	1.368	0.91
68_T	105_T	1.368	0.91
84_A	128_M	1.361	0.91
56_M	195_E	1.355	0.91
212_S	216_L	1.349	0.90
168_A	208_D	1.332	0.90
124_W	135_P	1.326	0.90
99_K	157_P	1.325	0.90
75_H	102_G	1.324	0.90
142_L	146_R	1.301	0.89
99_K	162_Y	1.290	0.88
78_F	172_A	1.278	0.88
51_G	109_Y	1.275	0.88
80_L	159_H	1.275	0.88
82_L	182_L	1.253	0.87
169_Q	212_S	1.249	0.87
48_W	65_E	1.246	0.86
59_P	150_A	1.235	0.86
78_F	96_L	1.218	0.85
207_N	214_K	1.206	0.85
185_N	192_L	1.205	0.85
124_W	131_G	1.174	0.83
192_L	206_L	1.170	0.83
81_R	174_L	1.167	0.83
79_C	97_A	1.165	0.82
171_I	205_G	1.154	0.82
134_L	154_I	1.151	0.82
140_L	150_A	1.147	0.81
190_F	217_L	1.147	0.81
85_G	119_E	1.139	0.81
176_A	213_V	1.132	0.81
104_T	192_L	1.126	0.80
124_W	133_Y	1.122	0.80
85_G	122_L	1.115	0.80
48_W	108_A	1.112	0.79
153_F	182_L	1.090	0.78
51_G	85_G	1.078	0.77
173_P	216_L	1.070	0.77
84_A	182_L	1.059	0.76
56_M	196_L	1.059	0.76
186_A	217_L	1.055	0.76
173_P	177_A	1.051	0.75
85_G	185_N	1.049	0.75
190_F	214_K	1.043	0.75
119_E	124_W	1.042	0.75
59_P	157_P	1.042	0.75
176_A	186_A	1.025	0.74
209_L	212_S	1.024	0.73
47_V	116_L	1.018	0.73
123_L	164_S	1.014	0.73
51_G	123_L	1.008	0.72
129_I	199_L	1.006	0.72
63_F	109_Y	1.002	0.72
167_R	170_V	1.000	0.72
82_L	119_E	0.989	0.71
62_E	115_T	0.986	0.71
166_T	171_I	0.983	0.70
64_T	112_P	0.982	0.70
46_P	116_L	0.982	0.70
202_Q	212_S	0.967	0.69
176_A	189_L	0.965	0.69
64_T	110_R	0.965	0.69
62_E	111_L	0.952	0.68
47_V	151_I	0.951	0.68
128_M	133_Y	0.947	0.67
75_H	169_Q	0.942	0.67
166_T	192_L	0.935	0.66
63_F	66_S	0.924	0.66
59_P	111_L	0.923	0.65
157_P	162_Y	0.917	0.65
134_L	156_D	0.914	0.65
111_L	119_E	0.913	0.65
84_A	157_P	0.911	0.64
142_L	148_V	0.908	0.64
72_V	105_T	0.906	0.64
128_M	182_L	0.893	0.63
87_G	95_M	0.890	0.63
130_T	159_H	0.888	0.62
58_N	96_L	0.886	0.62
171_I	174_L	0.886	0.62
95_M	124_W	0.878	0.62
172_A	213_V	0.875	0.61
81_R	166_T	0.860	0.60
69_G	140_L	0.853	0.59
84_A	130_T	0.842	0.58
209_L	213_V	0.839	0.58
58_N	109_Y	0.836	0.58
191_S	194_Q	0.836	0.58
69_G	105_T	0.835	0.58
94_R	125_K	0.833	0.57
85_G	95_M	0.831	0.57
38_L	41_R	0.830	0.57
50_F	57_W	0.829	0.57
172_A	176_A	0.824	0.57
155_M	182_L	0.808	0.55
108_A	140_L	0.805	0.55
85_G	131_G	0.804	0.55
73_G	206_L	0.789	0.53
40_C	90_H	0.786	0.53
67_C	146_R	0.779	0.52
128_M	153_F	0.775	0.52
193_E	206_L	0.774	0.52
95_M	130_T	0.771	0.52
168_A	211_V	0.765	0.51
69_G	206_L	0.762	0.51
63_F	143_D	0.761	0.51
80_L	185_N	0.758	0.50
119_E	122_L	0.758	0.50
190_F	193_E	0.757	0.50
138_C	152_V	0.756	0.50
75_H	187_Q	0.754	0.50
67_C	110_R	0.751	0.50
171_I	209_L	0.744	0.49
82_L	128_M	0.739	0.49
191_S	195_E	0.737	0.49
51_G	107_V	0.727	0.48
109_Y	148_V	0.723	0.47
88_T	109_Y	0.718	0.47
142_L	145_G	0.717	0.47
58_N	119_E	0.710	0.46
88_T	181_P	0.704	0.45
78_F	182_L	0.704	0.45
60_A	119_E	0.696	0.45
189_L	209_L	0.696	0.45
101_G	151_I	0.696	0.45
91_Q	178_A	0.688	0.44
68_T	88_T	0.688	0.44
85_G	159_H	0.687	0.44
172_A	216_L	0.679	0.43
124_W	130_T	0.670	0.42
97_A	192_L	0.670	0.42
140_L	147_T	0.669	0.42
70_T	211_V	0.668	0.42
94_R	104_T	0.667	0.42
104_T	196_L	0.656	0.41
43_D	211_V	0.654	0.41
47_V	120_L	0.651	0.41
56_M	158_R	0.650	0.40
194_Q	198_K	0.642	0.40
129_I	133_Y	0.641	0.40
54_S	126_R	0.628	0.38
131_G	159_H	0.626	0.38
104_T	152_V	0.625	0.38
73_G	101_G	0.624	0.38
45_G	113_E	0.623	0.38
177_A	212_S	0.618	0.38
213_V	217_L	0.616	0.37
51_G	63_F	0.615	0.37
124_W	182_L	0.614	0.37
74_W	186_A	0.614	0.37
131_G	205_G	0.613	0.37
68_T	190_F	0.609	0.37
142_L	147_T	0.609	0.37
97_A	185_N	0.607	0.37
178_A	214_K	0.605	0.36
84_A	181_P	0.605	0.36
101_G	104_T	0.604	0.36
39_A	42_P	0.603	0.36
96_L	159_H	0.603	0.36
130_T	205_G	0.598	0.36
80_L	167_R	0.596	0.36
57_W	178_A	0.590	0.35
48_W	67_C	0.588	0.35
84_A	119_E	0.588	0.35
56_M	119_E	0.586	0.35
83_T	161_E	0.584	0.35
56_M	203_D	0.583	0.35
132_C	155_M	0.581	0.34
56_M	187_Q	0.580	0.34
61_L	119_E	0.580	0.34
72_V	139_Q	0.580	0.34
96_L	140_L	0.577	0.34
63_F	199_L	0.576	0.34
115_T	118_Q	0.573	0.34
71_L	97_A	0.573	0.34
202_Q	207_N	0.571	0.34
130_T	185_N	0.570	0.33
148_V	206_L	0.567	0.33
195_E	199_L	0.566	0.33
70_T	103_R	0.565	0.33
119_E	182_L	0.564	0.33
116_L	198_K	0.563	0.33
85_G	151_I	0.562	0.33
190_F	213_V	0.562	0.33
139_Q	147_T	0.561	0.33
78_F	176_A	0.559	0.33
108_A	150_A	0.559	0.33
168_A	171_I	0.558	0.32
166_T	174_L	0.557	0.32
170_V	173_P	0.556	0.32
125_K	128_M	0.555	0.32
118_Q	121_T	0.555	0.32
55_L	59_P	0.552	0.32
82_L	125_K	0.550	0.32
141_D	144_D	0.550	0.32
177_A	194_Q	0.546	0.31
139_Q	204_D	0.544	0.31
104_T	138_C	0.543	0.31
94_R	185_N	0.542	0.31
69_G	150_A	0.540	0.31
94_R	171_I	0.536	0.31
49_I	179_S	0.533	0.30
83_T	129_I	0.533	0.30
71_L	152_V	0.532	0.30
74_W	162_Y	0.529	0.30
60_A	116_L	0.526	0.30
50_F	106_G	0.522	0.30
69_G	196_L	0.522	0.30
48_W	196_L	0.520	0.29
95_M	182_L	0.520	0.29
184_T	187_Q	0.519	0.29
99_K	165_D	0.519	0.29
100_E	214_K	0.516	0.29
146_R	204_D	0.515	0.29
159_H	175_I	0.514	0.29
85_G	181_P	0.511	0.29
51_G	197_I	0.509	0.29
59_P	122_L	0.508	0.28
182_L	185_N	0.508	0.28
112_P	143_D	0.506	0.28
88_T	104_T	0.502	0.28
60_A	85_G	0.502	0.28
171_I	175_I	0.502	0.28
57_W	161_E	0.502	0.28
77_A	130_T	0.501	0.28
86_R	126_R	0.500	0.28

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
3cryA	2	0.7013	100	0.607	Contact Map
2qikA	1	0.7749	100	0.618	Contact Map
3judA	1	0.5844	99.8	0.755	Contact Map
2jqvA	1	0.6797	99.8	0.763	Contact Map
2g0qA	1	0.6104	99.6	0.794	Contact Map
1xhsA	1	0.4675	98.1	0.89	Contact Map
1v30A	1	0.4892	97.9	0.896	Contact Map
1vkbA	1	0.5671	97	0.911	Contact Map
4issA	2	0.7359	84.2	0.942	Contact Map
4gysA	2	0.1861	79.5	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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