GSHB - ECOLI - GREMLIN Contacts

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GSHB - Glutathione synthetase

UniProt:	P04425	Sequences: MIKLGIVMDPIANINIKKDSSFAMLLEAQRRGYELHYMEMGDLYLINGEARAHTRTLNVKQNYEEWFSFVGEQDLPLADLDVILMRKDPPFDTEFIYATYILERAEEKGTLIVNKPQSLRDCNEKLFTAWFSDLTPETLVTRNKAQLKAFWEKHSDIILKPLDGMGGASIFRVKEGDPNLGVIAETLTEHGTRYCMAQNYLPAIKDGDKRVLVVDGEPVPYCLARIPQGGETRGNLAAGGRGEPRPLTESDWKIARQIGPTLKEKGLIFVGLDIIGDRLTEINVTSPTCIREIEAEFPVSITGMLMDAIEARLQQQ	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG10419
Length:	316 (269)
Sequences:	10199 (5254)
Seq/√Len:	320.4

ECOLI - GSHB RIMK
HALSA - Q9HSS5
SULSO - LYSX Q7LXR0 CARB

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
137_E	199_N	3.968	1.00
152_E	177_D	3.876	1.00
148_K	181_G	3.597	1.00
103_E	120_R	2.804	1.00
103_E	107_E	2.733	1.00
176_G	179_N	2.682	1.00
143_N	146_Q	2.640	1.00
248_T	251_D	2.625	1.00
249_E	253_K	2.620	1.00
253_K	257_Q	2.460	1.00
73_Q	76_P	2.460	1.00
257_Q	261_T	2.369	1.00
174_K	202_P	2.062	1.00
72_E	75_L	2.044	1.00
139_L	153_K	2.017	1.00
208_D	212_L	2.014	1.00
235_N	238_A	2.000	1.00
224_A	227_P	1.986	1.00
149_A	153_K	1.984	1.00
234_G	237_A	1.947	1.00
30_R	303_G	1.920	1.00
241_R	244_P	1.911	1.00
210_R	214_V	1.910	1.00
120_R	127_F	1.881	1.00
286_S	301_I	1.868	1.00
252_W	256_R	1.833	1.00
148_K	177_D	1.811	1.00
139_L	150_F	1.789	1.00
106_E	116_P	1.787	1.00
177_D	181_G	1.787	1.00
210_R	213_V	1.786	1.00
240_G	244_P	1.772	1.00
240_G	243_E	1.766	1.00
256_R	260_P	1.750	1.00
237_A	240_G	1.737	1.00
134_L	138_T	1.712	1.00
267_L	270_V	1.705	1.00
222_C	225_R	1.692	1.00
254_I	257_Q	1.690	1.00
181_G	185_E	1.686	1.00
242_G	245_R	1.682	1.00
31_R	307_D	1.678	1.00
104_R	108_K	1.676	1.00
241_R	245_R	1.661	1.00
105_A	110_T	1.614	1.00
150_F	154_H	1.603	1.00
106_E	115_K	1.600	1.00
115_K	268_I	1.591	1.00
225_R	228_Q	1.583	1.00
222_C	227_P	1.574	1.00
188_T	193_R	1.570	1.00
43_L	46_I	1.546	1.00
146_Q	149_A	1.517	1.00
173_V	183_I	1.507	1.00
208_D	213_V	1.499	1.00
208_D	214_V	1.491	1.00
122_C	282_I	1.489	1.00
174_K	179_N	1.463	1.00
134_L	137_E	1.452	1.00
268_I	271_G	1.439	1.00
72_E	76_P	1.431	1.00
27_E	303_G	1.420	1.00
132_S	258_I	1.419	1.00
223_L	227_P	1.416	1.00
234_G	238_A	1.415	1.00
230_G	233_R	1.413	1.00
222_C	226_I	1.413	1.00
248_T	252_W	1.412	1.00
73_Q	77_L	1.412	1.00
235_N	239_G	1.405	1.00
117_Q	121_D	1.402	1.00
223_L	226_I	1.392	1.00
260_P	265_K	1.388	1.00
184_A	195_C	1.361	1.00
238_A	241_R	1.341	1.00
172_R	200_Y	1.339	1.00
127_F	130_W	1.330	1.00
234_G	239_G	1.323	1.00
216_G	220_P	1.306	1.00
147_L	184_A	1.300	1.00
258_I	262_L	1.292	1.00
235_N	240_G	1.284	1.00
115_K	118_S	1.279	1.00
266_G	271_G	1.272	1.00
182_V	186_T	1.264	1.00
148_K	152_E	1.264	1.00
224_A	228_Q	1.261	1.00
27_E	30_R	1.254	1.00
236_L	240_G	1.250	1.00
157_I	197_A	1.246	1.00
266_G	269_F	1.245	1.00
151_W	157_I	1.245	1.00
121_D	131_F	1.235	1.00
239_G	244_P	1.234	1.00
257_Q	260_P	1.234	1.00
150_F	153_K	1.228	1.00
144_K	181_G	1.227	1.00
217_E	220_P	1.198	1.00
226_I	229_G	1.197	1.00
71_G	75_L	1.184	1.00
71_G	74_D	1.183	1.00
28_A	35_L	1.179	1.00
144_K	148_K	1.179	1.00
137_E	153_K	1.174	1.00
216_G	219_V	1.163	1.00
126_L	130_W	1.159	1.00
236_L	239_G	1.154	1.00
225_R	229_G	1.144	1.00
132_S	279_L	1.143	1.00
266_G	270_V	1.139	1.00
267_L	271_G	1.135	1.00
86_R	89_P	1.131	1.00
237_A	241_R	1.117	1.00
229_G	232_T	1.116	1.00
238_A	243_E	1.110	1.00
250_S	254_I	1.109	1.00
233_R	238_A	1.102	1.00
134_L	278_R	1.090	1.00
101_I	120_R	1.088	1.00
219_V	265_K	1.087	1.00
134_L	258_I	1.086	1.00
240_G	245_R	1.086	1.00
211_V	259_G	1.083	1.00
287_P	290_I	1.081	1.00
249_E	252_W	1.076	1.00
235_N	241_R	1.074	1.00
234_G	240_G	1.068	1.00
232_T	235_N	1.066	1.00
211_V	274_I	1.065	1.00
173_V	176_G	1.061	1.00
35_L	38_M	1.059	1.00
34_E	54_T	1.057	1.00
254_I	258_I	1.053	1.00
253_K	256_R	1.051	1.00
144_K	185_E	1.047	1.00
89_P	92_D	1.046	1.00
147_L	197_A	1.041	1.00
118_S	268_I	1.038	1.00
233_R	236_L	1.026	1.00
162_L	194_Y	1.025	1.00
145_A	148_K	1.023	1.00
237_A	244_P	1.015	1.00
104_R	107_E	1.009	1.00
142_R	146_Q	1.006	1.00
239_G	243_E	1.005	1.00
304_M	307_D	0.999	1.00
227_P	230_G	0.996	1.00
61_Q	64_E	0.989	1.00
250_S	253_K	0.984	1.00
151_W	180_L	0.983	1.00
141_T	147_L	0.979	1.00
286_S	289_C	0.979	1.00
233_R	237_A	0.979	1.00
247_L	251_D	0.963	1.00
117_Q	127_F	0.960	1.00
303_G	307_D	0.958	1.00
232_T	237_A	0.957	1.00
211_V	227_P	0.956	1.00
86_R	91_F	0.955	1.00
74_D	78_A	0.954	1.00
156_D	172_R	0.951	1.00
130_W	133_D	0.945	1.00
236_L	243_E	0.943	1.00
213_V	216_G	0.941	1.00
286_S	290_I	0.940	1.00
85_M	89_P	0.938	1.00
86_R	90_P	0.931	1.00
159_L	180_L	0.930	1.00
215_D	220_P	0.929	1.00
129_A	135_T	0.928	1.00
151_W	177_D	0.924	1.00
149_A	152_E	0.923	1.00
228_Q	232_T	0.922	1.00
184_A	188_T	0.921	1.00
85_M	90_P	0.916	1.00
86_R	92_D	0.915	1.00
145_A	149_A	0.914	1.00
103_E	116_P	0.914	1.00
87_K	91_F	0.905	1.00
39_E	42_D	0.902	1.00
87_K	92_D	0.897	1.00
187_L	191_G	0.892	1.00
255_A	258_I	0.889	1.00
239_G	242_G	0.887	1.00
85_M	92_D	0.884	1.00
210_R	216_G	0.884	1.00
227_P	232_T	0.878	1.00
236_L	241_R	0.875	1.00
237_A	243_E	0.874	1.00
163_D	192_T	0.872	1.00
231_E	235_N	0.871	1.00
255_A	260_P	0.865	1.00
199_N	278_R	0.865	1.00
129_A	198_Q	0.865	1.00
247_L	250_S	0.864	1.00
72_E	77_L	0.864	1.00
223_L	228_Q	0.859	1.00
238_A	244_P	0.857	1.00
168_A	190_H	0.854	1.00
186_T	189_E	0.854	1.00
247_L	252_W	0.854	1.00
224_A	229_G	0.852	1.00
236_L	242_G	0.852	1.00
121_D	127_F	0.851	1.00
134_L	254_I	0.842	1.00
250_S	278_R	0.840	1.00
84_L	87_K	0.840	1.00
71_G	76_P	0.839	1.00
147_L	180_L	0.838	1.00
232_T	236_L	0.837	1.00
87_K	90_P	0.835	1.00
106_E	117_Q	0.832	1.00
239_G	245_R	0.827	1.00
103_E	106_E	0.826	1.00
142_R	194_Y	0.824	1.00
84_L	89_P	0.815	1.00
99_T	120_R	0.810	1.00
39_E	43_L	0.810	1.00
34_E	53_H	0.806	1.00
226_I	230_G	0.804	1.00
79_D	108_K	0.803	1.00
288_T	292_E	0.802	1.00
42_D	46_I	0.798	1.00
144_K	184_A	0.797	1.00
215_D	219_V	0.797	1.00
75_L	110_T	0.796	1.00
83_I	90_P	0.795	1.00
231_E	236_L	0.795	1.00
126_L	162_L	0.788	1.00
289_C	292_E	0.787	1.00
254_I	278_R	0.786	1.00
212_L	216_G	0.778	1.00
230_G	234_G	0.778	1.00
53_H	56_T	0.774	1.00
222_C	228_Q	0.770	1.00
85_M	98_A	0.765	0.99
118_S	121_D	0.762	0.99
83_I	89_P	0.759	0.99
85_M	91_F	0.755	0.99
238_A	242_G	0.754	0.99
48_G	52_A	0.751	0.99
288_T	291_R	0.749	0.99
261_T	265_K	0.749	0.99
285_T	288_T	0.748	0.99
208_D	216_G	0.748	0.99
225_R	230_G	0.745	0.99
62_N	72_E	0.742	0.99
105_A	112_I	0.742	0.99
158_I	170_I	0.741	0.99
251_D	277_D	0.740	0.99
234_G	241_R	0.735	0.99
84_L	90_P	0.735	0.99
40_M	56_T	0.728	0.99
185_E	189_E	0.727	0.99
51_R	54_T	0.723	0.99
230_G	235_N	0.723	0.99
252_W	262_L	0.723	0.99
255_A	261_T	0.722	0.99
76_P	108_K	0.717	0.99
75_L	80_L	0.715	0.99
88_D	91_F	0.715	0.99
236_L	244_P	0.715	0.99
267_L	282_I	0.714	0.99
83_I	86_R	0.712	0.99
55_R	78_A	0.711	0.99
251_D	254_I	0.708	0.99
169_S	187_L	0.707	0.99
88_D	92_D	0.705	0.99
126_L	140_V	0.703	0.99
285_T	289_C	0.702	0.99
173_V	180_L	0.697	0.99
188_T	195_C	0.696	0.99
259_G	262_L	0.695	0.99
80_L	83_I	0.694	0.99
71_G	77_L	0.694	0.99
59_V	64_E	0.692	0.99
275_I	280_T	0.691	0.99
299_V	304_M	0.687	0.99
37_Y	40_M	0.686	0.99
22_F	25_L	0.683	0.99
220_P	223_L	0.682	0.99
84_L	92_D	0.680	0.99
103_E	117_Q	0.679	0.99
159_L	197_A	0.678	0.99
75_L	79_D	0.678	0.99
171_F	190_H	0.678	0.99
127_F	131_F	0.677	0.99
287_P	291_R	0.677	0.99
249_E	256_R	0.673	0.99
180_L	197_A	0.671	0.99
217_E	304_M	0.671	0.99
38_M	42_D	0.671	0.99
36_H	80_L	0.669	0.99
129_A	196_M	0.667	0.99
118_S	266_G	0.664	0.99
43_L	48_G	0.663	0.99
205_K	215_D	0.658	0.98
294_E	302_T	0.657	0.98
145_A	181_G	0.654	0.98
24_M	84_L	0.651	0.98
56_T	60_K	0.650	0.98
83_I	105_A	0.650	0.98
294_E	301_I	0.650	0.98
300_S	303_G	0.648	0.98
102_L	116_P	0.645	0.98
159_L	183_I	0.645	0.98
231_E	237_A	0.644	0.98
287_P	292_E	0.641	0.98
81_D	92_D	0.634	0.98
129_A	138_T	0.633	0.98
270_V	273_D	0.631	0.98
42_D	45_L	0.628	0.98
272_L	282_I	0.625	0.98
27_E	31_R	0.625	0.98
30_R	307_D	0.624	0.98
211_V	222_C	0.624	0.98
255_A	259_G	0.622	0.98
231_E	234_G	0.619	0.98
52_A	55_R	0.617	0.98
84_L	91_F	0.617	0.98
272_L	275_I	0.613	0.98
187_L	190_H	0.611	0.98
33_Y	306_M	0.609	0.97
55_R	74_D	0.609	0.97
237_A	242_G	0.608	0.97
74_D	80_L	0.605	0.97
72_E	104_R	0.603	0.97
265_K	269_F	0.602	0.97
132_S	135_T	0.601	0.97
225_R	232_T	0.601	0.97
158_I	172_R	0.601	0.97
251_D	255_A	0.599	0.97
48_G	54_T	0.598	0.97
171_F	186_T	0.597	0.97
224_A	230_G	0.597	0.97
83_I	92_D	0.597	0.97
38_M	74_D	0.596	0.97
45_L	48_G	0.595	0.97
258_I	261_T	0.594	0.97
215_D	218_P	0.591	0.97
255_A	262_L	0.590	0.97
124_E	194_Y	0.588	0.97
131_F	266_G	0.585	0.97
208_D	215_D	0.585	0.97
232_T	239_G	0.585	0.97
83_I	87_K	0.585	0.97
129_A	133_D	0.581	0.97
228_Q	231_E	0.580	0.97
117_Q	120_R	0.580	0.97
141_T	150_F	0.579	0.97
235_N	242_G	0.578	0.97
83_I	110_T	0.576	0.96
187_L	195_C	0.574	0.96
121_D	266_G	0.571	0.96
81_D	84_L	0.570	0.96
285_T	290_I	0.569	0.96
133_D	137_E	0.569	0.96
227_P	231_E	0.568	0.96
25_L	35_L	0.568	0.96
211_V	273_D	0.567	0.96
25_L	29_Q	0.567	0.96
85_M	88_D	0.564	0.96
141_T	197_A	0.564	0.96
47_N	51_R	0.558	0.96
122_C	267_L	0.554	0.96
71_G	78_A	0.553	0.96
83_I	91_F	0.551	0.96
119_L	284_V	0.547	0.95
214_V	219_V	0.547	0.95
223_L	229_G	0.546	0.95
131_F	262_L	0.544	0.95
58_N	61_Q	0.544	0.95
163_D	194_Y	0.543	0.95
55_R	59_V	0.543	0.95
209_K	251_D	0.542	0.95
50_A	53_H	0.542	0.95
49_E	52_A	0.540	0.95
212_L	301_I	0.536	0.95
62_N	104_R	0.535	0.95
81_D	85_M	0.535	0.95
116_P	120_R	0.534	0.95
269_F	305_L	0.534	0.95
219_V	225_R	0.533	0.95
51_R	55_R	0.532	0.95
82_V	85_M	0.532	0.95
183_I	186_T	0.532	0.95
157_I	173_V	0.529	0.94
150_F	197_A	0.527	0.94
55_R	58_N	0.524	0.94
36_H	54_T	0.523	0.94
102_L	119_L	0.523	0.94
235_N	243_E	0.521	0.94
36_H	39_E	0.519	0.94
231_E	238_A	0.518	0.94
293_I	301_I	0.516	0.94
56_T	59_V	0.516	0.94
246_P	250_S	0.511	0.93
229_G	234_G	0.511	0.93
141_T	146_Q	0.507	0.93
100_Y	104_R	0.502	0.93
252_W	255_A	0.502	0.93
285_T	292_E	0.501	0.93
100_Y	116_P	0.500	0.93
74_D	77_L	0.500	0.93

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
1gsaA	3	0.9937	100	0.268	Contact Map
4iwxA	3	0.8956	100	0.42	Contact Map
3vpbA	3	0.8513	100	0.435	Contact Map
3lwbA	2	0.8829	100	0.47	Contact Map
3e5nA	2	0.9051	100	0.481	Contact Map
3vpdA	3	0.8513	100	0.481	Contact Map
3i12A	2	0.9494	100	0.481	Contact Map
1e4eA	4	0.943	100	0.482	Contact Map
3k3pA	2	0.8861	100	0.489	Contact Map
3r5xA	2	0.8734	100	0.489	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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