XDHB - ECOLI - GREMLIN Contacts

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XDHB - Xanthine dehydrogenase FAD-binding subunit

UniProt:	Q46800	Sequences: MFDFASYHRAATLADAINLLADNPQAKLLAGGTDVLIQLHHHNDRYRHIVDIHNLAELRGITLAEDGSLRIGSATTFTQLIEDPITQRHLPALCAAATSIAGPQIRNVATYGGNICNGATSADSATPTLIYDAKLEIHSPRGVRFVPINGFHTGPGKVSLEHDEILVAFHFPPQPKEHAGSAHFKYAMRDAMDISTIGCAAHCRLDNGNFSELRLAFGVAAPTPIRCQHAEQTAQNAPLNLQTLEAISESVLQDVAPRSSWRASKEFRLHLIQTMTKKVISEAVAAAGGKLQ	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13050
Length:	292 (275)
Sequences:	5984 (4116)
Seq/√Len:	248.2

ECOLI - XDHB YAGS YGFM
BACSU - XDHC
SULSO - Q97VI7 Q97W13

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
226_R	231_E	3.659	1.00
134_K	145_F	3.645	1.00
70_R	168_A	3.314	1.00
136_E	170_H	3.253	1.00
136_E	168_A	2.965	1.00
137_I	146_V	2.950	1.00
144_R	164_E	2.698	1.00
60_G	75_T	2.645	1.00
136_E	143_V	2.616	1.00
116_C	166_L	2.493	1.00
20_L	28_L	2.419	1.00
212_E	235_Q	2.371	1.00
145_F	170_H	2.252	1.00
68_S	170_H	2.184	1.00
147_P	150_G	2.145	1.00
249_E	273_Q	2.116	1.00
59_R	79_Q	2.099	1.00
63_L	173_P	2.086	1.00
138_H	143_V	1.988	1.00
204_R	211_S	1.945	1.00
75_T	80_L	1.920	1.00
9_R	54_N	1.883	1.00
135_L	166_L	1.855	1.00
8_H	48_H	1.851	1.00
12_T	15_D	1.846	1.00
136_E	145_F	1.835	1.00
69_L	86_T	1.805	1.00
204_R	212_E	1.797	1.00
78_T	107_N	1.791	1.00
146_V	159_S	1.783	1.00
137_I	160_L	1.782	1.00
132_D	149_N	1.774	1.00
11_A	15_D	1.766	1.00
138_H	167_V	1.754	1.00
76_T	79_Q	1.723	1.00
206_D	211_S	1.719	1.00
233_T	250_S	1.706	1.00
70_R	170_H	1.694	1.00
18_N	22_D	1.692	1.00
14_A	138_H	1.688	1.00
64_A	67_G	1.685	1.00
52_I	74_A	1.678	1.00
210_F	213_L	1.660	1.00
186_Y	271_L	1.640	1.00
245_E	277_K	1.633	1.00
134_K	170_H	1.625	1.00
63_L	89_H	1.620	1.00
112_G	166_L	1.613	1.00
198_G	218_G	1.612	1.00
179_A	202_H	1.598	1.00
8_H	19_L	1.583	1.00
123_D	185_K	1.582	1.00
64_A	70_R	1.568	1.00
62_T	70_R	1.552	1.00
71_I	80_L	1.548	1.00
78_T	82_E	1.546	1.00
134_K	147_P	1.510	1.00
229_H	254_D	1.498	1.00
184_F	282_E	1.489	1.00
118_G	158_V	1.484	1.00
217_F	227_C	1.482	1.00
28_L	165_I	1.478	1.00
141_R	163_D	1.466	1.00
232_Q	235_Q	1.450	1.00
20_L	50_V	1.444	1.00
239_L	244_L	1.440	1.00
141_R	161_E	1.440	1.00
68_S	173_P	1.439	1.00
143_V	167_V	1.438	1.00
28_L	52_I	1.438	1.00
241_L	281_S	1.434	1.00
180_G	283_A	1.415	1.00
233_T	243_T	1.405	1.00
135_L	148_I	1.383	1.00
149_N	228_Q	1.375	1.00
153_T	159_S	1.365	1.00
25_Q	47_R	1.352	1.00
179_A	204_R	1.348	1.00
19_L	50_V	1.340	1.00
16_A	165_I	1.335	1.00
29_L	49_I	1.331	1.00
203_C	213_L	1.328	1.00
126_T	218_G	1.300	1.00
17_I	139_S	1.299	1.00
13_L	165_I	1.294	1.00
270_H	274_T	1.294	1.00
30_A	74_A	1.291	1.00
217_F	272_I	1.290	1.00
229_H	232_Q	1.287	1.00
20_L	163_D	1.272	1.00
201_A	279_V	1.269	1.00
129_L	148_I	1.264	1.00
201_A	215_L	1.260	1.00
182_A	282_E	1.250	1.00
64_A	68_S	1.241	1.00
184_F	278_K	1.238	1.00
77_F	109_A	1.235	1.00
241_L	245_E	1.228	1.00
13_L	138_H	1.227	1.00
6_S	48_H	1.221	1.00
27_K	44_D	1.216	1.00
53_H	76_T	1.207	1.00
77_F	124_S	1.197	1.00
227_C	230_A	1.193	1.00
259_S	266_E	1.188	1.00
61_I	83_D	1.185	1.00
115_I	169_F	1.178	1.00
122_A	125_A	1.174	1.00
89_H	173_P	1.173	1.00
237_A	246_A	1.171	1.00
71_I	171_F	1.156	1.00
10_A	52_I	1.155	1.00
111_Y	169_F	1.153	1.00
67_G	173_P	1.152	1.00
70_R	136_E	1.148	1.00
246_A	249_E	1.147	1.00
228_Q	232_Q	1.144	1.00
17_I	138_H	1.142	1.00
9_R	51_D	1.140	1.00
229_H	253_Q	1.139	1.00
17_I	140_P	1.135	1.00
203_C	210_F	1.131	1.00
7_Y	51_D	1.130	1.00
59_R	76_T	1.129	1.00
26_A	50_V	1.127	1.00
186_Y	275_M	1.124	1.00
187_A	193_D	1.122	1.00
277_K	281_S	1.119	1.00
17_I	165_I	1.111	1.00
15_D	18_N	1.110	1.00
130_I	216_A	1.106	1.00
252_L	273_Q	1.103	1.00
153_T	157_K	1.097	1.00
240_N	243_T	1.096	1.00
213_L	235_Q	1.085	1.00
96_A	127_P	1.082	1.00
244_L	248_S	1.080	1.00
56_A	59_R	1.075	1.00
61_I	75_T	1.067	1.00
80_L	111_Y	1.064	1.00
77_F	100_I	1.058	1.00
115_I	128_T	1.051	1.00
10_A	15_D	1.046	1.00
139_S	142_G	1.044	1.00
237_A	243_T	1.044	1.00
73_S	112_G	1.038	1.00
93_L	124_S	1.034	1.00
63_L	85_I	1.033	1.00
209_N	238_P	1.032	1.00
116_C	151_F	1.031	1.00
28_L	50_V	1.030	1.00
100_I	109_A	1.022	1.00
230_A	250_S	1.020	1.00
233_T	237_A	1.020	1.00
257_P	269_L	1.020	1.00
95_A	282_E	1.012	1.00
15_D	19_L	1.002	1.00
137_I	164_E	1.002	1.00
210_F	239_L	0.999	1.00
60_G	168_A	0.991	1.00
29_L	32_G	0.990	1.00
30_A	110_T	0.987	1.00
230_A	254_D	0.984	1.00
251_V	276_T	0.977	1.00
93_L	127_P	0.967	1.00
125_A	152_H	0.963	1.00
78_T	81_I	0.960	1.00
217_F	220_A	0.959	1.00
92_A	181_S	0.958	1.00
234_A	247_I	0.957	1.00
13_L	17_I	0.953	1.00
215_L	230_A	0.948	1.00
202_H	214_R	0.945	1.00
128_T	135_L	0.941	1.00
274_T	278_K	0.939	1.00
246_A	250_S	0.938	1.00
242_Q	246_A	0.934	1.00
161_E	164_E	0.928	1.00
250_S	253_Q	0.924	1.00
195_S	198_G	0.910	1.00
248_S	277_K	0.906	1.00
14_A	57_E	0.901	1.00
59_R	74_A	0.899	1.00
233_T	246_A	0.899	1.00
68_S	172_P	0.893	1.00
257_P	266_E	0.891	1.00
76_T	110_T	0.886	1.00
178_H	204_R	0.884	1.00
85_I	89_H	0.875	1.00
184_F	279_V	0.872	0.99
279_V	283_A	0.872	0.99
213_L	234_A	0.871	0.99
265_K	269_L	0.871	0.99
63_L	69_L	0.871	0.99
23_N	48_H	0.867	0.99
238_P	243_T	0.867	0.99
71_I	111_Y	0.864	0.99
77_F	97_A	0.860	0.99
34_D	117_N	0.858	0.99
11_A	54_N	0.854	0.99
259_S	265_K	0.853	0.99
270_H	273_Q	0.850	0.99
129_L	149_N	0.849	0.99
135_L	151_F	0.848	0.99
128_T	133_A	0.847	0.99
111_Y	124_S	0.846	0.99
21_A	163_D	0.836	0.99
149_N	226_R	0.832	0.99
78_T	103_P	0.829	0.99
181_S	202_H	0.827	0.99
129_L	152_H	0.824	0.99
52_I	165_I	0.823	0.99
244_L	280_I	0.820	0.99
211_S	235_Q	0.816	0.99
263_A	268_R	0.815	0.99
64_A	170_H	0.810	0.99
220_A	272_I	0.809	0.99
53_H	74_A	0.806	0.99
128_T	171_F	0.803	0.99
13_L	57_E	0.797	0.99
139_S	164_E	0.797	0.99
217_F	276_T	0.795	0.99
199_C	275_M	0.791	0.99
97_A	100_I	0.791	0.99
84_P	88_R	0.787	0.99
132_D	226_R	0.785	0.99
183_H	198_G	0.785	0.99
79_Q	83_D	0.784	0.99
249_E	253_Q	0.784	0.99
13_L	58_L	0.783	0.99
14_A	18_N	0.783	0.99
114_N	124_S	0.782	0.99
16_A	55_L	0.782	0.99
126_T	198_G	0.779	0.99
136_E	167_V	0.776	0.99
230_A	247_I	0.771	0.99
148_I	152_H	0.767	0.99
228_Q	231_E	0.767	0.99
189_R	193_D	0.765	0.99
69_L	173_P	0.763	0.99
245_E	249_E	0.762	0.99
81_I	98_T	0.758	0.99
175_P	179_A	0.757	0.99
63_L	68_S	0.756	0.99
151_F	159_S	0.755	0.99
32_G	36_L	0.752	0.99
75_T	111_Y	0.747	0.98
248_S	276_T	0.744	0.98
58_L	74_A	0.743	0.98
175_P	204_R	0.741	0.98
21_A	140_P	0.739	0.98
132_D	214_R	0.734	0.98
184_F	275_M	0.730	0.98
85_I	88_R	0.729	0.98
216_A	226_R	0.726	0.98
80_L	124_S	0.725	0.98
34_D	119_A	0.721	0.98
144_R	161_E	0.720	0.98
205_L	208_G	0.715	0.98
88_R	91_P	0.713	0.98
215_L	227_C	0.711	0.98
137_I	144_R	0.708	0.98
95_A	182_A	0.704	0.98
90_L	171_F	0.696	0.98
269_L	273_Q	0.696	0.98
60_G	79_Q	0.695	0.98
16_A	28_L	0.695	0.98
151_F	160_L	0.694	0.97
29_L	36_L	0.694	0.97
265_K	268_R	0.690	0.97
197_I	220_A	0.686	0.97
29_L	35_V	0.684	0.97
77_F	101_A	0.684	0.97
239_L	243_T	0.683	0.97
117_N	122_A	0.681	0.97
149_N	214_R	0.681	0.97
174_Q	179_A	0.678	0.97
237_A	240_N	0.677	0.97
75_T	79_Q	0.676	0.97
115_I	148_I	0.675	0.97
221_A	225_I	0.672	0.97
87_Q	94_C	0.669	0.97
243_T	246_A	0.669	0.97
10_A	13_L	0.668	0.97
227_C	251_V	0.662	0.97
131_Y	171_F	0.661	0.97
132_D	147_P	0.660	0.97
189_R	194_I	0.660	0.97
251_V	254_D	0.658	0.97
34_D	37_I	0.657	0.97
160_L	163_D	0.656	0.96
260_S	268_R	0.655	0.96
26_A	48_H	0.655	0.96
130_I	200_A	0.655	0.96
90_L	173_P	0.654	0.96
40_H	102_G	0.653	0.96
115_I	125_A	0.653	0.96
217_F	255_V	0.650	0.96
225_I	255_V	0.649	0.96
20_L	162_H	0.648	0.96
95_A	181_S	0.646	0.96
81_I	97_A	0.645	0.96
248_S	251_V	0.643	0.96
133_A	171_F	0.642	0.96
23_N	26_A	0.640	0.96
210_F	244_L	0.639	0.96
59_R	75_T	0.635	0.96
111_Y	128_T	0.635	0.96
63_L	66_D	0.633	0.96
175_P	178_H	0.625	0.95
119_A	194_I	0.623	0.95
101_A	105_I	0.622	0.95
92_A	131_Y	0.621	0.95
148_I	151_F	0.621	0.95
190_D	193_D	0.619	0.95
62_T	168_A	0.619	0.95
33_T	114_N	0.612	0.95
133_A	169_F	0.608	0.95
69_L	90_L	0.606	0.95
95_A	99_S	0.605	0.95
92_A	202_H	0.604	0.94
34_D	193_D	0.603	0.94
248_S	273_Q	0.602	0.94
152_H	224_P	0.601	0.94
75_T	112_G	0.600	0.94
83_D	86_T	0.597	0.94
252_L	272_I	0.597	0.94
154_G	222_P	0.596	0.94
154_G	157_K	0.596	0.94
30_A	52_I	0.583	0.93
61_I	71_I	0.583	0.93
129_L	224_P	0.581	0.93
255_V	272_I	0.580	0.93
58_L	73_S	0.580	0.93
8_H	15_D	0.579	0.93
170_H	173_P	0.579	0.93
81_I	103_P	0.579	0.93
57_E	60_G	0.579	0.93
192_M	195_S	0.578	0.93
118_G	152_H	0.578	0.93
208_G	239_L	0.574	0.93
214_R	226_R	0.573	0.93
33_T	102_G	0.570	0.93
77_F	80_L	0.568	0.92
244_L	281_S	0.567	0.92
187_A	194_I	0.565	0.92
23_N	47_R	0.562	0.92
135_L	146_V	0.561	0.92
213_L	231_E	0.559	0.92
77_F	111_Y	0.559	0.92
34_D	38_Q	0.557	0.92
137_I	159_S	0.556	0.92
181_S	200_A	0.556	0.92
110_T	113_G	0.554	0.92
102_G	185_K	0.552	0.91
249_E	277_K	0.551	0.91
14_A	143_V	0.551	0.91
101_A	192_M	0.551	0.91
150_G	159_S	0.549	0.91
86_T	94_C	0.548	0.91
34_D	194_I	0.546	0.91
117_N	156_G	0.545	0.91
71_I	75_T	0.544	0.91
146_V	151_F	0.544	0.91
52_I	58_L	0.543	0.91
81_I	94_C	0.542	0.91
239_L	283_A	0.542	0.91
63_L	67_G	0.541	0.91
68_S	171_F	0.540	0.90
274_T	277_K	0.540	0.90
21_A	139_S	0.539	0.90
20_L	26_A	0.537	0.90
266_E	270_H	0.537	0.90
271_L	275_M	0.536	0.90
117_N	194_I	0.533	0.90
139_S	161_E	0.533	0.90
21_A	141_R	0.530	0.90
257_P	260_S	0.530	0.90
252_L	269_L	0.527	0.89
121_S	219_V	0.527	0.89
80_L	97_A	0.524	0.89
221_A	224_P	0.523	0.89
94_C	98_T	0.522	0.89
28_L	163_D	0.522	0.89
227_C	254_D	0.521	0.89
86_T	91_P	0.521	0.89
185_K	195_S	0.520	0.89
205_L	210_F	0.519	0.89
17_I	21_A	0.517	0.88
33_T	123_D	0.513	0.88
86_T	90_L	0.512	0.88
96_A	100_I	0.512	0.88
114_N	194_I	0.511	0.88
18_N	140_P	0.511	0.88
77_F	81_I	0.511	0.88
194_I	219_V	0.511	0.88
122_A	194_I	0.510	0.88
119_A	156_G	0.510	0.88
271_L	274_T	0.510	0.88
215_L	247_I	0.509	0.88
151_F	158_V	0.508	0.88
210_F	235_Q	0.508	0.88
38_Q	156_G	0.507	0.88
102_G	192_M	0.507	0.88
230_A	233_T	0.507	0.88
259_S	268_R	0.505	0.87
20_L	27_K	0.503	0.87
46_Y	49_I	0.501	0.87
38_Q	41_H	0.501	0.87
38_Q	117_N	0.500	0.87
90_L	131_Y	0.500	0.87
154_G	223_T	0.500	0.87

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
1rm6B	1	0.9589	100	0.117	Contact Map
1n62C	1	0.9726	100	0.13	Contact Map
1t3qC	1	0.9726	100	0.13	Contact Map
3zyvA	3	0.9829	100	0.139	Contact Map
3hrdC	1	0.976	100	0.148	Contact Map
1ffvC	1	0.976	100	0.162	Contact Map
2w3sA	1	0.9623	100	0.165	Contact Map
3uncA	2	0.9897	100	0.171	Contact Map
3nvzB	1	0.9795	100	0.181	Contact Map
4pytA	1	0.8014	98.1	0.881	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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