QOR1 - ECOLI - GREMLIN Contacts

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QOR1 - Quinone oxidoreductase 1

UniProt:	P28304	Sequences: MATRIEFHKHGGPEVLQAVEFTPADPAENEIQVENKAIGINFIDTYIRSGLYPPPSLPSGLGTEAAGIVSKVGSGVKHIKAGDRVVYAQSALGAYSSVHNIIADKAAILPAAISFEQAAASFLKGLTVYYLLRKTYEIKPDEQFLFHAAAGGVGLIACQWAKALGAKLIGTVGTAQKAQSALKAGAWQVINYREEDLVERLKEITGGKKVRVVYDSVGRDTWERSLDCLQRRGLMVSFGNSSGAVTGVNLGILNQKGSLYVTRPSLQGYITTREELTEASNELFSLIASGVIKVDVAEQQKYPLKDAQRAHEILESRATQGSSLLIP	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11492
Length:	327 (303)
Sequences:	52951 (36422)
Seq/√Len:	2092.4

ECOLI - QOR1 YBDR YGGP GATD CURA YDJL ACUI YAHK FRMA AHR YCJQ YJJN ADHP RSPB YPHC TDH YDJJ IDND
BACSU - ADHB YOGA BDHA YJMD YFMJ DHSO YHFP YYCR TDH ADHA
HALSA - Q9HP38 Q9HR85 Q9HMB6 Q9HQS8 GLCDH
SULSO - ADH Q97XR4 Q7LXK1 Q97YT7 Q97V32 Q97ZV3 Q97VV5 Q97YM2 Q97VW0 Q97WA1 Q97TZ4 GLCD2 Q97W06 GLCD1 GLCD3 Q97UW5 Q97VB8

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
306_D	309_R	2.960	1.00
36_K	115_F	2.871	1.00
34_E	70_S	2.805	1.00
36_K	68_I	2.751	1.00
8_H	19_V	2.670	1.00
32_Q	70_S	2.639	1.00
31_I	106_A	2.559	1.00
162_K	187_W	2.517	1.00
143_Q	167_K	2.516	1.00
114_S	117_Q	2.509	1.00
84_R	109_L	2.384	1.00
83_D	108_I	2.374	1.00
80_K	83_D	2.339	1.00
200_R	203_E	2.294	1.00
179_Q	183_K	2.293	1.00
302_Y	313_I	2.284	1.00
34_E	68_I	2.254	1.00
23_P	98_V	2.183	1.00
34_E	98_V	2.145	1.00
167_K	188_Q	2.140	1.00
65_A	94_A	2.130	1.00
116_E	301_K	2.104	1.00
178_A	182_L	2.088	1.00
144_F	161_A	2.082	1.00
78_H	103_A	2.053	1.00
285_S	289_S	2.051	1.00
149_A	170_G	2.050	1.00
303_P	306_D	2.027	1.00
300_Q	313_I	2.018	1.00
139_K	142_E	1.987	1.00
28_E	74_S	1.986	1.00
27_A	30_E	1.969	1.00
6_E	19_V	1.968	1.00
29_N	75_G	1.967	1.00
158_C	186_A	1.958	1.00
8_H	17_Q	1.948	1.00
133_R	164_L	1.930	1.00
65_A	87_Y	1.909	1.00
66_A	115_F	1.905	1.00
28_E	75_G	1.899	1.00
112_A	288_A	1.893	1.00
84_R	115_F	1.882	1.00
312_E	316_S	1.845	1.00
25_D	71_K	1.834	1.00
125_G	156_I	1.801	1.00
142_E	234_L	1.800	1.00
70_S	98_V	1.782	1.00
32_Q	100_N	1.773	1.00
133_R	282_E	1.755	1.00
179_Q	182_L	1.752	1.00
145_L	171_T	1.751	1.00
49_S	315_E	1.735	1.00
145_L	210_V	1.730	1.00
309_R	312_E	1.727	1.00
163_A	291_V	1.700	1.00
175_A	179_Q	1.700	1.00
178_A	189_V	1.697	1.00
169_I	210_V	1.690	1.00
211_R	230_Q	1.690	1.00
302_Y	310_A	1.682	1.00
234_L	260_Y	1.661	1.00
109_L	115_F	1.661	1.00
73_G	76_V	1.653	1.00
172_V	178_A	1.648	1.00
313_I	318_A	1.637	1.00
309_R	313_I	1.620	1.00
109_L	118_A	1.600	1.00
229_L	235_M	1.580	1.00
256_K	259_L	1.569	1.00
147_H	225_S	1.566	1.00
175_A	191_N	1.552	1.00
229_L	259_L	1.545	1.00
72_V	81_A	1.525	1.00
188_Q	204_I	1.525	1.00
195_E	200_R	1.517	1.00
79_I	108_I	1.515	1.00
167_K	187_W	1.512	1.00
30_E	102_I	1.509	1.00
191_N	194_E	1.505	1.00
180_S	183_K	1.503	1.00
234_L	262_T	1.499	1.00
175_A	194_E	1.499	1.00
196_D	199_E	1.496	1.00
95_Y	311_H	1.478	1.00
26_P	100_N	1.469	1.00
71_K	81_A	1.468	1.00
136_Y	212_V	1.459	1.00
35_N	65_A	1.453	1.00
32_Q	98_V	1.442	1.00
79_I	83_D	1.427	1.00
229_L	233_G	1.414	1.00
68_I	84_R	1.404	1.00
173_G	192_Y	1.396	1.00
29_N	102_I	1.388	1.00
26_P	32_Q	1.379	1.00
84_R	111_A	1.378	1.00
30_E	100_N	1.355	1.00
37_A	116_E	1.354	1.00
213_V	225_S	1.351	1.00
213_V	229_L	1.342	1.00
158_C	170_G	1.337	1.00
48_R	311_H	1.336	1.00
308_Q	312_E	1.329	1.00
69_V	79_I	1.313	1.00
150_A	170_G	1.313	1.00
199_E	203_E	1.298	1.00
32_Q	71_K	1.291	1.00
299_Q	313_I	1.286	1.00
31_I	79_I	1.276	1.00
143_Q	169_I	1.261	1.00
68_I	115_F	1.259	1.00
147_H	171_T	1.244	1.00
157_A	214_Y	1.243	1.00
163_A	286_L	1.222	1.00
285_S	288_A	1.218	1.00
129_Y	133_R	1.188	1.00
79_I	106_A	1.171	1.00
150_A	172_V	1.160	1.00
138_I	166_A	1.160	1.00
23_P	32_Q	1.154	1.00
36_K	84_R	1.138	1.00
182_L	189_V	1.129	1.00
26_P	30_E	1.119	1.00
143_Q	211_R	1.114	1.00
175_A	178_A	1.113	1.00
159_Q	293_K	1.111	1.00
178_A	191_N	1.106	1.00
101_I	106_A	1.105	1.00
29_N	103_A	1.096	1.00
35_N	99_H	1.091	1.00
70_S	81_A	1.086	1.00
33_V	67_G	1.082	1.00
282_E	285_S	1.073	1.00
200_R	204_I	1.069	1.00
174_T	191_N	1.061	1.00
277_T	281_N	1.060	1.00
117_Q	293_K	1.059	1.00
142_E	211_R	1.052	1.00
136_Y	236_V	1.050	1.00
170_G	186_A	1.048	1.00
48_R	315_E	1.045	1.00
182_L	188_Q	1.043	1.00
18_A	305_K	1.041	1.00
40_I	310_A	1.036	1.00
173_G	193_R	1.025	1.00
130_Y	279_A	1.024	1.00
133_R	279_A	1.022	1.00
37_A	115_F	1.005	1.00
227_D	252_I	1.004	1.00
38_I	95_Y	1.004	1.00
286_L	291_V	1.003	1.00
307_A	325_L	1.002	1.00
128_V	160_W	1.001	1.00
180_S	320_Q	0.999	1.00
217_V	221_T	0.994	1.00
196_D	200_R	0.994	1.00
36_K	66_A	0.990	1.00
128_V	157_A	0.988	1.00
33_V	85_V	0.987	1.00
41_N	64_E	0.983	1.00
41_N	63_T	0.971	1.00
198_V	227_D	0.969	1.00
194_E	200_R	0.965	1.00
95_Y	307_A	0.963	1.00
281_N	285_S	0.956	1.00
135_T	260_Y	0.951	1.00
205_T	209_K	0.945	1.00
138_I	142_E	0.934	1.00
161_A	166_A	0.933	1.00
117_Q	295_D	0.932	1.00
72_V	76_V	0.929	1.00
6_E	21_F	0.928	1.00
169_I	188_Q	0.928	1.00
38_I	94_A	0.928	1.00
23_P	71_K	0.924	1.00
215_D	218_G	0.923	1.00
146_F	157_A	0.920	1.00
113_I	118_A	0.918	1.00
131_L	238_F	0.917	1.00
173_G	178_A	0.915	1.00
293_K	296_V	0.913	1.00
158_C	168_L	0.912	1.00
252_I	256_K	0.905	1.00
125_G	283_L	0.903	1.00
183_K	296_V	0.902	1.00
313_I	323_S	0.900	1.00
312_E	315_E	0.895	1.00
129_Y	282_E	0.894	1.00
201_L	210_V	0.892	1.00
45_T	314_L	0.890	1.00
198_V	224_R	0.889	1.00
34_E	97_S	0.888	1.00
223_E	227_D	0.883	1.00
6_E	60_G	0.877	1.00
25_D	32_Q	0.876	1.00
224_R	227_D	0.873	1.00
76_V	103_A	0.872	1.00
77_K	103_A	0.871	1.00
171_T	192_Y	0.870	1.00
147_H	213_V	0.868	1.00
172_V	189_V	0.867	1.00
160_W	283_L	0.863	1.00
253_L	261_V	0.862	1.00
146_F	161_A	0.861	1.00
80_K	108_I	0.860	1.00
155_L	180_S	0.859	1.00
121_S	287_I	0.858	1.00
145_L	228_C	0.852	1.00
65_A	99_H	0.852	1.00
95_Y	325_L	0.846	1.00
29_N	73_G	0.843	1.00
169_I	190_I	0.841	1.00
176_Q	179_Q	0.840	1.00
23_P	70_S	0.840	1.00
59_S	92_L	0.838	1.00
131_L	214_Y	0.830	1.00
39_G	64_E	0.829	1.00
249_N	252_I	0.828	1.00
232_R	258_S	0.826	1.00
198_V	202_K	0.825	1.00
111_A	288_A	0.815	1.00
143_Q	210_V	0.813	1.00
177_K	320_Q	0.813	1.00
314_L	323_S	0.811	1.00
142_E	212_V	0.810	1.00
160_W	286_L	0.803	1.00
278_E	282_E	0.803	1.00
302_Y	306_D	0.802	1.00
174_T	177_K	0.801	1.00
41_N	44_D	0.798	1.00
21_F	92_L	0.798	1.00
40_I	314_L	0.795	1.00
86_V	284_F	0.795	1.00
282_E	286_L	0.795	1.00
170_G	181_A	0.794	1.00
18_A	304_L	0.794	1.00
181_A	186_A	0.794	1.00
37_A	324_L	0.791	1.00
128_V	153_V	0.778	1.00
132_L	161_A	0.776	1.00
29_N	74_S	0.770	1.00
126_L	279_A	0.767	1.00
128_V	156_I	0.764	1.00
131_L	157_A	0.764	1.00
197_L	224_R	0.764	1.00
150_A	181_A	0.759	1.00
198_V	228_C	0.758	1.00
164_L	282_E	0.755	1.00
144_F	166_A	0.753	1.00
40_I	95_Y	0.751	1.00
169_I	201_L	0.750	1.00
130_Y	258_S	0.750	1.00
302_Y	325_L	0.749	1.00
199_E	202_K	0.748	1.00
196_D	224_R	0.747	1.00
225_S	235_M	0.746	1.00
286_L	289_S	0.745	1.00
72_V	80_K	0.743	1.00
27_A	100_N	0.742	1.00
133_R	160_W	0.740	1.00
138_I	212_V	0.736	1.00
149_A	158_C	0.736	1.00
161_A	168_L	0.736	1.00
26_P	71_K	0.734	1.00
14_E	312_E	0.733	1.00
64_E	123_L	0.730	1.00
169_I	204_I	0.730	1.00
85_V	106_A	0.730	1.00
278_E	281_N	0.729	1.00
213_V	235_M	0.728	1.00
87_Y	101_I	0.725	1.00
43_I	63_T	0.725	1.00
286_L	290_G	0.724	1.00
237_S	261_V	0.722	1.00
113_I	287_I	0.722	1.00
168_L	187_W	0.722	1.00
31_I	103_A	0.720	1.00
205_T	208_K	0.720	1.00
88_A	92_L	0.717	1.00
41_N	123_L	0.716	1.00
135_T	262_T	0.716	1.00
146_F	170_G	0.712	1.00
202_K	205_T	0.711	1.00
216_S	238_F	0.709	1.00
26_P	73_G	0.709	1.00
7_F	15_V	0.705	1.00
296_V	299_Q	0.704	1.00
208_K	230_Q	0.700	1.00
210_V	213_V	0.699	1.00
110_P	288_A	0.698	1.00
107_A	281_N	0.697	1.00
21_F	60_G	0.696	1.00
137_E	260_Y	0.694	1.00
300_Q	309_R	0.694	1.00
313_I	316_S	0.691	1.00
86_V	109_L	0.691	1.00
37_A	301_K	0.689	1.00
166_A	212_V	0.688	1.00
137_E	234_L	0.680	1.00
300_Q	323_S	0.678	1.00
201_L	228_C	0.678	1.00
128_V	132_L	0.677	1.00
212_V	236_V	0.677	1.00
244_A	247_G	0.676	1.00
84_R	112_A	0.675	1.00
147_H	221_T	0.671	1.00
107_A	280_S	0.670	1.00
183_K	293_K	0.668	1.00
94_A	99_H	0.667	1.00
66_A	119_A	0.662	1.00
129_Y	283_L	0.660	1.00
124_K	152_G	0.658	1.00
172_V	181_A	0.658	1.00
178_A	181_A	0.655	1.00
31_I	69_V	0.655	1.00
253_L	259_L	0.655	1.00
63_T	123_L	0.654	1.00
127_T	153_V	0.653	1.00
123_L	127_T	0.651	1.00
78_H	108_I	0.649	1.00
8_H	15_V	0.648	1.00
319_T	323_S	0.646	1.00
12_G	15_V	0.645	1.00
33_V	87_Y	0.645	1.00
137_E	262_T	0.645	1.00
42_F	46_Y	0.644	1.00
41_N	124_K	0.644	1.00
284_F	288_A	0.644	1.00
129_Y	286_L	0.642	1.00
66_A	109_L	0.640	1.00
107_A	284_F	0.639	1.00
24_A	100_N	0.636	1.00
253_L	263_R	0.636	1.00
86_V	122_F	0.633	1.00
311_H	315_E	0.632	1.00
222_W	235_M	0.629	1.00
172_V	192_Y	0.626	1.00
29_N	104_D	0.625	1.00
244_A	249_N	0.625	1.00
162_K	168_L	0.624	1.00
78_H	277_T	0.622	1.00
223_E	252_I	0.618	1.00
143_Q	208_K	0.615	1.00
18_A	307_A	0.612	1.00
210_V	228_C	0.612	1.00
215_D	235_M	0.611	1.00
83_D	111_A	0.610	1.00
213_V	228_C	0.609	1.00
35_N	38_I	0.609	1.00
136_Y	234_L	0.609	1.00
37_A	66_A	0.608	1.00
206_G	209_K	0.606	1.00
180_S	184_A	0.604	1.00
78_H	81_A	0.603	1.00
66_A	84_R	0.603	1.00
188_Q	200_R	0.602	1.00
158_C	184_A	0.595	1.00
157_A	238_F	0.594	1.00
302_Y	323_S	0.594	1.00
43_I	47_I	0.594	1.00
180_S	295_D	0.591	1.00
220_D	223_E	0.591	1.00
150_A	158_C	0.591	1.00
212_V	234_L	0.590	1.00
171_T	190_I	0.589	1.00
129_Y	279_A	0.588	1.00
24_A	32_Q	0.587	1.00
127_T	238_F	0.587	1.00
160_W	164_L	0.587	1.00
24_A	98_V	0.586	1.00
178_A	192_Y	0.583	1.00
231_R	256_K	0.583	1.00
221_T	225_S	0.583	1.00
26_P	75_G	0.582	1.00
134_K	279_A	0.582	1.00
114_S	118_A	0.580	1.00
159_Q	184_A	0.580	1.00
87_Y	106_A	0.580	1.00
197_L	201_L	0.577	1.00
120_A	324_L	0.575	1.00
149_A	181_A	0.574	1.00
66_A	118_A	0.573	1.00
202_K	209_K	0.573	1.00
181_A	189_V	0.571	1.00
46_Y	51_L	0.571	1.00
124_K	156_I	0.567	1.00
287_I	294_V	0.564	1.00
144_F	212_V	0.563	1.00
62_G	95_Y	0.562	1.00
77_K	80_K	0.562	1.00
155_L	295_D	0.562	1.00
236_V	264_P	0.561	1.00
131_L	264_P	0.561	1.00
145_L	213_V	0.560	1.00
45_T	315_E	0.556	1.00
215_D	239_G	0.555	1.00
72_V	83_D	0.553	1.00
55_P	59_S	0.552	1.00
172_V	177_K	0.551	1.00
313_I	319_T	0.551	1.00
23_P	26_P	0.550	1.00
33_V	106_A	0.550	1.00
107_A	277_T	0.550	1.00
251_G	254_N	0.549	1.00
190_I	204_I	0.547	1.00
258_S	268_G	0.547	1.00
300_Q	306_D	0.544	1.00
158_C	181_A	0.544	1.00
102_I	105_K	0.542	1.00
43_I	46_Y	0.542	1.00
156_I	160_W	0.539	1.00
172_V	191_N	0.539	1.00
254_N	263_R	0.539	1.00
47_I	52_Y	0.538	1.00
132_L	160_W	0.537	1.00
23_P	100_N	0.536	1.00
42_F	151_G	0.535	1.00
13_P	312_E	0.533	1.00
79_I	103_A	0.531	1.00
290_G	293_K	0.531	1.00
103_A	106_A	0.526	1.00
16_L	311_H	0.526	1.00
115_F	118_A	0.526	1.00
162_K	186_A	0.525	1.00
140_P	164_L	0.525	1.00
56_S	59_S	0.524	1.00
169_I	205_T	0.523	1.00
120_A	294_V	0.523	1.00
35_N	94_A	0.522	1.00
129_Y	164_L	0.521	1.00
147_H	197_L	0.521	1.00
7_F	16_L	0.521	1.00
22_T	25_D	0.520	1.00
41_N	322_S	0.520	1.00
35_N	87_Y	0.520	1.00
143_Q	205_T	0.519	1.00
33_V	65_A	0.516	1.00
223_E	247_G	0.516	1.00
150_A	177_K	0.515	1.00
287_I	292_I	0.515	1.00
122_F	280_S	0.514	1.00
45_T	49_S	0.512	1.00
190_I	195_E	0.511	1.00
114_S	301_K	0.510	1.00
14_E	48_R	0.510	1.00
26_P	29_N	0.508	1.00
39_G	119_A	0.506	1.00
173_G	191_N	0.505	1.00
110_P	118_A	0.505	1.00
7_F	48_R	0.502	1.00
155_L	184_A	0.502	1.00
140_P	165_G	0.501	1.00
302_Y	309_R	0.501	1.00
203_E	206_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
1qorA	2	0.9969	100	0.149	Contact Map
3jynA	2	0.9939	100	0.154	Contact Map
4j6fA	2	0.9572	100	0.169	Contact Map
1wlyA	2	0.9694	100	0.171	Contact Map
4gi2A	2	0.9664	100	0.174	Contact Map
3uogA	4	0.9572	100	0.174	Contact Map
1h2bA	4	0.9419	100	0.178	Contact Map
2eihA	4	0.9633	100	0.179	Contact Map
3qwbA	2	0.9817	100	0.18	Contact Map
4rvuA	2	0.9847	100	0.181	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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