GSTA - ECOLI - GREMLIN Contacts

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GSTA - Glutathione S-transferase GstA

UniProt:	P0A9D2	Sequences: MKLFYKPGACSLASHITLRESGKDFTLVSVDLMKKRLENGDDYFAVNPKGQVPALLLDDGTLLTEGVAIMQYLADSVPDRQLLAPVNSISRYKTIEWLNYIATELHKGFTPLFRPDTPEEYKPTVRAQLEKKLQYVNEALKDEHWICGQRFTIADAYLFTVLRWAYAVKLNLEGLEHIAAFMQRMAERPEVQDALSAEGLK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG12613
Length:	201 (190)
Sequences:	22816 (15717)
Seq/√Len:	1140.2

ECOLI - GSTA YNCG YFCG GSTB YGHU SSPA YFCF YIBF GLRX2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
71_Q	95_I	3.285	1.00
2_K	28_V	3.164	1.00
20_E	188_R	3.081	1.00
144_H	184_R	3.054	1.00
75_D	91_R	3.014	1.00
19_R	193_D	2.898	1.00
61_T	89_I	2.897	1.00
18_L	25_F	2.740	1.00
180_A	184_R	2.703	1.00
44_F	50_G	2.620	1.00
2_K	26_T	2.551	1.00
137_N	177_H	2.381	1.00
134_Q	175_L	2.367	1.00
141_K	177_H	2.196	1.00
151_F	156_A	2.053	1.00
17_T	70_M	2.023	1.00
130_E	174_G	1.917	1.00
87_N	90_S	1.900	1.00
19_R	25_F	1.899	1.00
31_D	34_K	1.848	1.00
179_A	183_Q	1.845	1.00
93_K	96_E	1.800	1.00
5_Y	11_S	1.750	1.00
20_E	190_E	1.694	1.00
41_D	45_A	1.674	1.00
75_D	95_I	1.642	1.00
57_L	60_G	1.626	1.00
16_I	191_V	1.624	1.00
97_W	139_A	1.616	1.00
57_L	62_L	1.578	1.00
159_F	185_M	1.571	1.00
42_D	45_A	1.539	1.00
46_V	54_A	1.535	1.00
21_S	74_A	1.532	1.00
144_H	149_Q	1.524	1.00
23_K	77_V	1.516	1.00
58_D	72_Y	1.510	1.00
43_Y	54_A	1.508	1.00
4_F	30_V	1.489	1.00
123_P	127_A	1.487	1.00
151_F	188_R	1.484	1.00
119_E	123_P	1.444	1.00
134_Q	138_E	1.433	1.00
189_P	193_D	1.413	1.00
182_M	186_A	1.403	1.00
2_K	57_L	1.393	1.00
177_H	180_A	1.383	1.00
99_N	103_T	1.373	1.00
118_P	121_Y	1.372	1.00
147_C	152_T	1.366	1.00
173_E	179_A	1.357	1.00
43_Y	46_V	1.352	1.00
126_R	130_E	1.343	1.00
139_A	143_E	1.327	1.00
17_T	21_S	1.321	1.00
100_Y	135_Y	1.312	1.00
146_I	158_L	1.284	1.00
89_I	93_K	1.284	1.00
99_N	102_A	1.281	1.00
71_Q	99_N	1.250	1.00
64_T	96_E	1.248	1.00
183_Q	187_E	1.246	1.00
58_D	61_T	1.223	1.00
36_R	40_G	1.208	1.00
98_L	157_Y	1.202	1.00
135_Y	139_A	1.176	1.00
100_Y	132_K	1.173	1.00
39_N	50_G	1.164	1.00
20_E	151_F	1.153	1.00
187_E	192_Q	1.147	1.00
151_F	185_M	1.140	1.00
130_E	175_L	1.138	1.00
159_F	186_A	1.136	1.00
145_W	185_M	1.135	1.00
5_Y	9_A	1.135	1.00
63_L	92_Y	1.120	1.00
76_S	88_S	1.107	1.00
93_K	139_A	1.100	1.00
4_F	57_L	1.090	1.00
137_N	141_K	1.090	1.00
13_A	66_G	1.089	1.00
6_K	9_A	1.085	1.00
90_S	93_K	1.081	1.00
128_Q	131_K	1.078	1.00
46_V	62_L	1.070	1.00
127_A	131_K	1.066	1.00
70_M	157_Y	1.062	1.00
130_E	134_Q	1.060	1.00
58_D	76_S	1.057	1.00
85_P	94_T	1.043	1.00
137_N	176_E	1.042	1.00
101_I	158_L	1.041	1.00
3_L	18_L	1.036	1.00
70_M	153_I	1.035	1.00
123_P	126_R	1.034	1.00
94_T	147_C	1.028	1.00
14_S	70_M	1.019	1.00
134_Q	174_G	1.018	1.00
138_E	141_K	1.018	1.00
67_V	99_N	1.016	1.00
127_A	130_E	0.992	1.00
14_S	69_I	0.983	1.00
51_Q	65_E	0.980	1.00
98_L	153_I	0.978	1.00
15_H	19_R	0.975	1.00
138_E	142_D	0.973	1.00
58_D	77_V	0.972	1.00
144_H	180_A	0.967	1.00
46_V	57_L	0.967	1.00
124_T	128_Q	0.961	1.00
131_K	134_Q	0.952	1.00
120_E	123_P	0.946	1.00
94_T	152_T	0.943	1.00
108_G	111_P	0.942	1.00
61_T	93_K	0.942	1.00
179_A	182_M	0.940	1.00
43_Y	47_N	0.937	1.00
17_T	156_A	0.935	1.00
159_F	191_V	0.933	1.00
49_K	64_T	0.920	1.00
88_S	92_Y	0.920	1.00
90_S	150_R	0.917	1.00
21_S	73_L	0.916	1.00
91_R	95_I	0.915	1.00
163_R	186_A	0.913	1.00
119_E	122_K	0.910	1.00
184_R	187_E	0.908	1.00
162_L	181_F	0.904	1.00
42_D	46_V	0.894	1.00
17_T	82_L	0.886	1.00
183_Q	186_A	0.886	1.00
13_A	70_M	0.886	1.00
135_Y	138_E	0.884	1.00
67_V	157_Y	0.881	1.00
166_Y	182_M	0.879	1.00
139_A	142_D	0.878	1.00
11_S	52_V	0.877	1.00
49_K	100_Y	0.876	1.00
40_G	44_F	0.875	1.00
13_A	157_Y	0.872	1.00
94_T	153_I	0.870	1.00
54_A	62_L	0.867	1.00
72_Y	76_S	0.866	1.00
20_E	156_A	0.856	1.00
16_I	156_A	0.855	1.00
181_F	185_M	0.852	1.00
15_H	27_L	0.850	1.00
5_Y	27_L	0.834	1.00
146_I	154_A	0.827	1.00
41_D	44_F	0.825	1.00
107_K	111_P	0.825	1.00
110_T	114_R	0.822	1.00
82_L	156_A	0.817	1.00
180_A	183_Q	0.815	1.00
145_W	184_R	0.811	1.00
54_A	64_T	0.806	1.00
162_L	182_M	0.803	1.00
57_L	61_T	0.791	1.00
137_N	175_L	0.785	1.00
47_N	50_G	0.784	1.00
47_N	54_A	0.779	1.00
12_L	194_A	0.777	1.00
16_I	190_E	0.750	1.00
74_A	81_Q	0.746	1.00
171_N	174_G	0.740	1.00
142_D	177_H	0.740	1.00
16_I	160_T	0.737	1.00
124_T	127_A	0.736	1.00
61_T	92_Y	0.735	1.00
39_N	44_F	0.733	1.00
93_K	143_E	0.732	1.00
146_I	181_F	0.727	1.00
92_Y	95_I	0.725	1.00
169_K	172_L	0.718	1.00
67_V	102_A	0.715	1.00
137_N	178_I	0.711	1.00
71_Q	75_D	0.711	1.00
163_R	191_V	0.710	1.00
121_Y	125_V	0.708	1.00
21_S	81_Q	0.704	1.00
78_P	81_Q	0.702	1.00
111_P	128_Q	0.700	1.00
21_S	77_V	0.698	1.00
108_G	132_K	0.694	1.00
175_L	178_I	0.694	1.00
125_V	128_Q	0.693	1.00
136_V	158_L	0.693	1.00
143_E	149_Q	0.689	1.00
73_L	77_V	0.687	1.00
68_A	96_E	0.687	1.00
174_G	179_A	0.686	1.00
97_W	147_C	0.683	1.00
63_L	72_Y	0.680	1.00
17_T	74_A	0.677	1.00
184_R	188_R	0.676	1.00
78_P	82_L	0.676	1.00
122_K	126_R	0.675	1.00
85_P	90_S	0.667	1.00
118_P	122_K	0.665	1.00
90_S	147_C	0.662	1.00
68_A	92_Y	0.659	1.00
132_K	135_Y	0.658	1.00
136_V	146_I	0.657	1.00
94_T	154_A	0.655	1.00
81_Q	86_V	0.646	1.00
97_W	146_I	0.642	1.00
30_V	36_R	0.640	1.00
147_C	154_A	0.636	1.00
114_R	120_E	0.635	1.00
133_L	178_I	0.635	1.00
67_V	98_L	0.631	1.00
93_K	97_W	0.630	1.00
120_E	124_T	0.629	1.00
10_C	13_A	0.628	1.00
81_Q	150_R	0.628	1.00
3_L	15_H	0.628	1.00
5_Y	8_G	0.625	1.00
75_D	88_S	0.625	1.00
145_W	151_F	0.623	1.00
33_M	36_R	0.621	1.00
63_L	69_I	0.620	1.00
7_P	29_S	0.618	1.00
139_A	146_I	0.617	1.00
71_Q	153_I	0.616	1.00
136_V	178_I	0.615	1.00
91_R	94_T	0.614	1.00
31_D	36_R	0.612	1.00
32_L	36_R	0.610	1.00
185_M	191_V	0.605	1.00
133_L	175_L	0.604	1.00
109_F	129_L	0.603	1.00
16_I	159_F	0.602	1.00
189_P	192_Q	0.601	1.00
104_E	132_K	0.599	1.00
12_L	163_R	0.598	1.00
129_L	133_L	0.598	1.00
74_A	153_I	0.596	1.00
131_K	135_Y	0.596	1.00
4_F	28_V	0.593	1.00
176_E	180_A	0.591	1.00
166_Y	171_N	0.589	1.00
12_L	160_T	0.586	1.00
31_D	35_K	0.585	1.00
176_E	179_A	0.585	1.00
21_S	78_P	0.584	1.00
85_P	88_S	0.581	1.00
93_K	147_C	0.581	1.00
17_T	153_I	0.578	1.00
163_R	182_M	0.569	1.00
19_R	194_A	0.567	1.00
35_K	39_N	0.564	1.00
190_E	193_D	0.563	1.00
97_W	100_Y	0.563	1.00
111_P	114_R	0.562	1.00
3_L	14_S	0.556	1.00
18_L	73_L	0.555	1.00
15_H	194_A	0.552	1.00
19_R	190_E	0.552	1.00
11_S	27_L	0.550	1.00
83_L	94_T	0.549	1.00
143_E	147_C	0.546	1.00
168_V	172_L	0.545	1.00
74_A	78_P	0.542	1.00
76_S	89_I	0.536	1.00
65_E	104_E	0.535	1.00
88_S	91_R	0.532	1.00
134_Q	137_N	0.529	1.00
75_D	86_V	0.526	1.00
13_A	67_V	0.525	1.00
19_R	22_G	0.520	1.00
30_V	33_M	0.519	1.00
106_H	161_V	0.516	1.00
143_E	148_G	0.516	1.00
96_E	139_A	0.515	1.00
158_L	181_F	0.514	1.00
3_L	55_L	0.513	1.00
70_M	74_A	0.506	1.00
101_I	105_L	0.505	1.00
21_S	80_R	0.504	1.00
166_Y	172_L	0.502	1.00
111_P	125_V	0.502	1.00
111_P	115_P	0.501	1.00
109_F	113_F	0.501	1.00
32_L	35_K	0.501	1.00
145_W	148_G	0.500	1.00

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
1pmtA	2	0.995	100	0.179	Contact Map
2dsaA	2	0.99	100	0.181	Contact Map
1f2eA	3	0.995	100	0.183	Contact Map
2pvqA	2	0.99	100	0.185	Contact Map
4kgiA	2	0.99	100	0.2	Contact Map
3uarA	2	0.995	100	0.201	Contact Map
4gf0A	2	0.9851	100	0.203	Contact Map
2x64A	2	0.9751	100	0.204	Contact Map
4gciA	2	0.99	100	0.206	Contact Map
1k0dA	2	0.9751	100	0.209	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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