XDHA - BACSU - GREMLIN Contacts

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XDHA - Probable xanthine dehydrogenase subunit A

UniProt:	O32147	Sequences: MGNFHTMLDALLEDQEEAVLATIVQVEGSAYRKAGASMLFKKKGRRIGLLSGGCVEEDVFQRISALGDQLTSTLIPYDMRSEDDLSWGMGAGCNGIIHVHAERITQEKRRHYEKVRDCLHSGKAVTSVIKIESSHYLFLTENGHFGNWPDAPLQDIQRTVSTLHLPHFDQTTNMFIQRIEPKPRLILFGAGPDNVPLANLAADTGFSVIVTDWRPAYCTSSLFPKADQLITAFPEQMLSEFQFFPHDAAVVATHHYQHDQTIINFLFSQNLHYIGLLGSANRTKRLLSGKHPPSHFYSPVGLKIGAEGPEEIAVSVVAEIIQTRKRVAVV	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	330 (305)
Sequences:	2008 (1433)
Seq/√Len:	82.1

ECOLI - YAGQ YQEB
BACSU - XDHA
SULSO - Q97UW4

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
19_V	101_A	4.193	1.00
17_E	42_K	4.030	1.00
314_V	321_I	3.533	1.00
76_P	98_H	3.396	1.00
25_Q	98_H	3.003	1.00
249_A	266_L	2.985	1.00
206_F	321_I	2.890	1.00
19_V	67_G	2.868	1.00
202_A	227_D	2.827	1.00
187_L	198_A	2.744	1.00
24_V	74_L	2.703	1.00
26_V	30_A	2.700	1.00
185_L	248_A	2.659	1.00
16_E	41_K	2.518	1.00
201_A	317_V	2.518	1.00
21_A	99_V	2.504	1.00
275_G	300_V	2.451	1.00
239_S	265_F	2.407	1.00
249_A	271_L	2.380	1.00
58_D	62_R	2.380	1.00
200_L	314_V	2.368	1.00
317_V	320_I	2.326	1.00
268_S	292_P	2.282	1.00
244_F	247_D	2.271	1.00
284_K	288_S	2.228	1.00
37_S	177_Q	2.219	1.00
50_L	99_V	2.204	1.00
190_A	212_D	2.164	1.00
290_K	294_S	2.142	1.00
185_L	201_A	2.130	1.00
243_F	247_D	2.081	1.00
281_N	285_R	2.078	1.00
200_L	317_V	2.069	1.00
184_R	209_I	2.068	1.00
13_E	113_E	2.023	1.00
287_L	290_K	2.019	1.00
271_L	274_I	1.978	1.00
21_A	101_A	1.941	1.00
271_L	295_H	1.914	1.00
232_A	240_E	1.889	1.00
10_A	14_D	1.869	1.00
118_C	123_K	1.862	1.00
16_E	42_K	1.861	1.00
58_D	77_Y	1.853	1.00
263_I	276_L	1.848	1.00
269_Q	295_H	1.841	1.00
232_A	236_Q	1.832	1.00
273_Y	319_E	1.828	1.00
185_L	320_I	1.825	1.00
199_N	225_K	1.770	1.00
46_R	60_F	1.761	1.00
204_T	317_V	1.756	1.00
188_F	262_I	1.745	1.00
114_K	118_C	1.711	1.00
200_L	203_D	1.703	1.00
76_P	96_I	1.702	1.00
55_V	97_I	1.696	1.00
9_D	13_E	1.681	1.00
51_S	54_C	1.672	1.00
283_T	287_L	1.661	1.00
186_I	249_A	1.605	1.00
11_L	18_A	1.599	1.00
62_R	75_I	1.586	1.00
126_T	176_I	1.560	1.00
297_Y	319_E	1.553	1.00
283_T	298_S	1.552	1.00
22_T	102_E	1.552	1.00
269_Q	274_I	1.545	1.00
41_K	45_R	1.543	1.00
130_K	133_S	1.530	0.99
199_N	203_D	1.514	0.99
306_A	325_K	1.514	0.99
17_E	103_R	1.512	0.99
248_A	272_H	1.467	0.99
197_L	316_V	1.441	0.99
197_L	250_V	1.418	0.99
251_V	266_L	1.400	0.99
207_S	228_Q	1.397	0.99
6_T	120_H	1.394	0.99
128_V	174_M	1.389	0.99
9_D	113_E	1.359	0.99
306_A	311_E	1.355	0.99
123_K	140_T	1.354	0.99
132_E	173_N	1.346	0.99
287_L	296_F	1.340	0.99
128_V	176_I	1.336	0.99
62_R	73_T	1.326	0.99
274_I	296_F	1.323	0.98
304_I	312_I	1.323	0.98
250_V	300_V	1.319	0.98
210_V	226_A	1.318	0.98
182_K	205_G	1.307	0.98
32_R	309_P	1.306	0.98
207_S	227_D	1.304	0.98
29_S	52_G	1.298	0.98
322_Q	326_R	1.298	0.98
196_P	310_E	1.288	0.98
19_V	66_L	1.274	0.98
102_E	136_Y	1.246	0.98
245_P	270_N	1.241	0.98
308_G	311_E	1.240	0.98
86_S	90_G	1.239	0.98
232_A	237_M	1.233	0.98
54_C	282_R	1.231	0.98
314_V	320_I	1.221	0.97
31_Y	193_D	1.215	0.97
187_L	197_L	1.210	0.97
243_F	249_A	1.201	0.97
7_M	11_L	1.198	0.97
210_V	229_L	1.185	0.97
18_A	39_L	1.184	0.97
297_Y	323_T	1.182	0.97
183_P	324_R	1.182	0.97
213_W	258_H	1.180	0.97
198_A	210_V	1.179	0.97
94_N	256_Y	1.179	0.97
162_T	165_L	1.178	0.97
130_K	174_M	1.174	0.97
264_N	268_S	1.170	0.97
84_D	88_G	1.159	0.96
54_C	254_H	1.153	0.96
213_W	254_H	1.151	0.96
237_M	241_F	1.139	0.96
115_V	125_V	1.138	0.96
118_C	125_V	1.132	0.96
31_Y	92_G	1.128	0.96
319_E	322_Q	1.121	0.96
185_L	250_V	1.108	0.95
51_S	254_H	1.107	0.95
90_G	212_D	1.105	0.95
218_C	229_L	1.105	0.95
74_L	98_H	1.101	0.95
31_Y	94_N	1.098	0.95
58_D	61_Q	1.081	0.95
51_S	282_R	1.074	0.95
23_I	50_L	1.073	0.95
202_A	225_K	1.062	0.94
206_F	248_A	1.061	0.94
266_L	274_I	1.049	0.94
17_E	105_T	1.049	0.94
161_S	164_H	1.043	0.94
21_A	59_V	1.042	0.94
193_D	277_L	1.041	0.94
215_P	231_T	1.038	0.94
304_I	311_E	1.034	0.93
59_V	282_R	1.032	0.93
266_L	271_L	1.021	0.93
31_Y	279_S	1.020	0.93
100_H	129_I	1.015	0.93
292_P	295_H	1.014	0.93
197_L	200_L	1.005	0.92
187_L	194_N	0.996	0.92
249_A	274_I	0.992	0.92
110_R	114_K	0.991	0.92
23_I	34_A	0.980	0.91
65_A	69_Q	0.978	0.91
214_R	217_Y	0.971	0.91
12_L	113_E	0.964	0.91
85_L	88_G	0.958	0.91
213_W	255_H	0.950	0.90
92_G	193_D	0.944	0.90
306_A	315_S	0.938	0.90
94_N	279_S	0.936	0.90
64_S	67_G	0.934	0.89
24_V	100_H	0.930	0.89
260_Q	285_R	0.929	0.89
256_Y	260_Q	0.926	0.89
6_T	10_A	0.916	0.88
219_T	231_T	0.913	0.88
66_L	103_R	0.904	0.88
39_L	47_I	0.903	0.88
129_I	177_Q	0.902	0.88
250_V	320_I	0.902	0.88
115_V	138_F	0.901	0.88
186_I	247_D	0.900	0.88
184_R	207_S	0.898	0.87
8_L	104_I	0.898	0.87
186_I	211_T	0.897	0.87
115_V	179_I	0.895	0.87
27_E	79_M	0.894	0.87
193_D	312_I	0.891	0.87
49_L	192_P	0.891	0.87
66_L	72_S	0.888	0.87
7_M	47_I	0.887	0.87
199_N	310_E	0.885	0.87
251_V	263_I	0.884	0.87
255_H	258_H	0.884	0.87
92_G	254_H	0.884	0.87
204_T	314_V	0.881	0.86
138_F	143_G	0.880	0.86
202_A	208_V	0.875	0.86
69_Q	73_T	0.872	0.86
197_L	317_V	0.872	0.86
163_L	171_T	0.858	0.85
275_G	320_I	0.850	0.84
106_Q	110_R	0.849	0.84
253_T	259_D	0.848	0.84
126_T	178_R	0.846	0.84
64_S	68_D	0.845	0.84
32_R	51_S	0.845	0.84
12_L	18_A	0.842	0.84
17_E	67_G	0.841	0.84
276_L	283_T	0.839	0.84
289_G	293_P	0.837	0.84
277_L	300_V	0.834	0.83
59_V	99_V	0.833	0.83
161_S	165_L	0.831	0.83
201_A	208_V	0.827	0.83
61_Q	64_S	0.822	0.82
19_V	63_I	0.821	0.82
193_D	279_S	0.817	0.82
206_F	324_R	0.814	0.82
54_C	58_D	0.811	0.82
161_S	166_P	0.808	0.81
7_M	10_A	0.808	0.81
32_R	94_N	0.807	0.81
251_V	259_D	0.807	0.81
71_T	103_R	0.805	0.81
75_I	78_D	0.804	0.81
77_Y	271_L	0.803	0.81
59_V	192_P	0.799	0.81
84_D	87_W	0.798	0.81
111_H	127_S	0.791	0.80
188_F	251_V	0.790	0.80
27_E	96_I	0.790	0.80
114_K	239_S	0.784	0.79
17_E	106_Q	0.783	0.79
195_V	199_N	0.782	0.79
30_A	97_I	0.774	0.78
79_M	87_W	0.773	0.78
33_K	307_E	0.772	0.78
116_R	119_L	0.771	0.78
188_F	253_T	0.768	0.78
243_F	271_L	0.768	0.78
252_A	279_S	0.766	0.78
26_V	34_A	0.766	0.78
63_I	67_G	0.766	0.78
91_A	255_H	0.763	0.77
129_I	136_Y	0.762	0.77
236_Q	239_S	0.760	0.77
102_E	129_I	0.759	0.77
28_G	35_G	0.758	0.77
291_H	294_S	0.758	0.77
31_Y	256_Y	0.757	0.77
8_L	112_Y	0.755	0.77
311_E	321_I	0.751	0.76
186_I	209_I	0.750	0.76
92_G	286_L	0.746	0.76
22_T	37_S	0.743	0.76
293_P	296_F	0.742	0.75
49_L	256_Y	0.741	0.75
41_K	47_I	0.741	0.75
282_R	286_L	0.736	0.75
11_L	39_L	0.736	0.75
49_L	56_E	0.730	0.74
4_F	8_L	0.729	0.74
112_Y	116_R	0.722	0.73
276_L	298_S	0.722	0.73
183_P	248_A	0.721	0.73
55_V	191_G	0.721	0.73
173_N	326_R	0.716	0.73
11_L	16_E	0.714	0.73
218_C	231_T	0.714	0.73
4_F	39_L	0.713	0.73
196_P	199_N	0.713	0.73
80_R	86_S	0.712	0.72
81_S	84_D	0.712	0.72
277_L	307_E	0.712	0.72
321_I	325_K	0.710	0.72
213_W	262_I	0.708	0.72
50_L	210_V	0.706	0.72
74_L	100_H	0.706	0.72
91_A	285_R	0.705	0.72
4_F	16_E	0.703	0.71
62_R	77_Y	0.700	0.71
51_S	92_G	0.699	0.71
16_E	43_K	0.696	0.71
230_I	240_E	0.694	0.71
9_D	120_H	0.693	0.70
203_D	317_V	0.691	0.70
117_D	121_S	0.688	0.70
26_V	193_D	0.687	0.70
67_G	101_A	0.687	0.70
261_T	264_N	0.686	0.70
29_S	259_D	0.680	0.69
185_L	287_L	0.678	0.69
121_S	124_A	0.677	0.69
59_V	101_A	0.676	0.69
302_L	305_G	0.675	0.68
20_L	37_S	0.674	0.68
32_R	36_A	0.670	0.68
162_T	166_P	0.667	0.67
65_A	73_T	0.666	0.67
186_I	241_F	0.665	0.67
130_K	172_T	0.661	0.67
42_K	68_D	0.658	0.66
198_A	225_K	0.657	0.66
17_E	319_E	0.656	0.66
263_I	274_I	0.652	0.66
81_S	86_S	0.650	0.65
302_L	319_E	0.644	0.65
54_C	91_A	0.644	0.65
107_E	230_I	0.642	0.65
187_L	321_I	0.642	0.65
110_R	113_E	0.642	0.65
31_Y	49_L	0.639	0.64
251_V	298_S	0.637	0.64
210_V	223_F	0.637	0.64
120_H	290_K	0.637	0.64
133_S	172_T	0.636	0.64
105_T	114_K	0.635	0.64
273_Y	300_V	0.635	0.64
270_N	292_P	0.633	0.63
204_T	308_G	0.631	0.63
24_V	98_H	0.631	0.63
226_A	280_A	0.631	0.63
14_D	290_K	0.630	0.63
111_H	138_F	0.629	0.63
67_G	103_R	0.628	0.63
51_S	277_L	0.627	0.63
8_L	39_L	0.627	0.63
72_S	100_H	0.626	0.63
57_E	94_N	0.626	0.63
208_V	226_A	0.626	0.63
99_V	183_P	0.625	0.62
192_P	222_L	0.625	0.62
99_V	113_E	0.625	0.62
5_H	79_M	0.625	0.62
255_H	276_L	0.623	0.62
66_L	129_I	0.622	0.62
276_L	286_L	0.621	0.62
32_R	267_F	0.620	0.62
140_T	144_H	0.620	0.62
89_M	97_I	0.618	0.62
101_A	310_E	0.618	0.62
194_N	223_F	0.617	0.61
219_T	229_L	0.614	0.61
168_F	173_N	0.614	0.61
110_R	220_S	0.613	0.61
66_L	69_Q	0.612	0.61
234_P	254_H	0.612	0.61
31_Y	253_T	0.611	0.61
51_S	58_D	0.611	0.61
218_C	223_F	0.611	0.61
65_A	68_D	0.611	0.61
34_A	247_D	0.608	0.60
8_L	50_L	0.608	0.60
80_R	96_I	0.607	0.60
40_F	59_V	0.605	0.60
188_F	250_V	0.605	0.60
11_L	41_K	0.604	0.60
31_Y	52_G	0.604	0.60
27_E	98_H	0.603	0.60
235_E	304_I	0.601	0.59
188_F	249_A	0.600	0.59
107_E	114_K	0.594	0.59
54_C	93_C	0.591	0.58
196_P	279_S	0.590	0.58
211_T	277_L	0.589	0.58
199_N	316_V	0.589	0.58
219_T	287_L	0.589	0.58
253_T	258_H	0.588	0.58
201_A	205_G	0.588	0.58
39_L	241_F	0.588	0.58
70_L	103_R	0.586	0.58
18_A	104_I	0.583	0.57
209_I	228_Q	0.581	0.57
49_L	255_H	0.580	0.57
20_L	39_L	0.579	0.57
162_T	167_H	0.579	0.57
190_A	214_R	0.575	0.56
320_I	324_R	0.573	0.56
204_T	321_I	0.573	0.56
194_N	250_V	0.572	0.56
117_D	224_P	0.568	0.55
311_E	314_V	0.568	0.55
33_K	36_A	0.567	0.55
132_E	291_H	0.565	0.55
70_L	73_T	0.563	0.55
31_Y	196_P	0.563	0.55
265_F	296_F	0.563	0.55
8_L	15_Q	0.562	0.54
116_R	120_H	0.562	0.54
192_P	298_S	0.561	0.54
123_K	132_E	0.561	0.54
167_H	245_P	0.558	0.54
269_Q	292_P	0.558	0.54
58_D	252_A	0.557	0.54
117_D	120_H	0.557	0.54
161_S	167_H	0.557	0.54
51_S	77_Y	0.556	0.54
132_E	135_H	0.555	0.54
97_I	310_E	0.554	0.53
219_T	222_L	0.551	0.53
188_F	237_M	0.550	0.53
206_F	314_V	0.546	0.52
113_E	117_D	0.546	0.52
115_V	210_V	0.545	0.52
305_G	326_R	0.544	0.52
51_S	97_I	0.544	0.52
161_S	168_F	0.543	0.52
92_G	279_S	0.543	0.52
186_I	238_L	0.542	0.52
248_A	324_R	0.541	0.52
41_K	46_R	0.539	0.51
251_V	296_F	0.538	0.51
40_F	63_I	0.537	0.51
52_G	56_E	0.537	0.51
71_T	291_H	0.536	0.51
57_E	282_R	0.536	0.51
218_C	263_I	0.536	0.51
254_H	282_R	0.534	0.51
50_L	192_P	0.533	0.51
235_E	261_T	0.533	0.51
12_L	105_T	0.533	0.51
105_T	108_K	0.532	0.51
91_A	286_L	0.531	0.50
230_I	237_M	0.530	0.50
182_K	206_F	0.530	0.50
92_G	255_H	0.530	0.50
261_T	265_F	0.529	0.50
226_A	229_L	0.529	0.50
92_G	252_A	0.528	0.50
214_R	253_T	0.527	0.50
115_V	127_S	0.527	0.50
12_L	106_Q	0.526	0.50
85_L	90_G	0.526	0.50
80_R	85_L	0.526	0.50
95_G	259_D	0.526	0.50
20_L	315_S	0.524	0.49
122_G	127_S	0.524	0.49
184_R	247_D	0.524	0.49
223_F	226_A	0.524	0.49
29_S	275_G	0.523	0.49
196_P	200_L	0.522	0.49
115_V	119_L	0.522	0.49
256_Y	277_L	0.520	0.49
12_L	104_I	0.519	0.49
171_T	229_L	0.518	0.49
279_S	283_T	0.517	0.49
63_I	66_L	0.515	0.48
52_G	94_N	0.513	0.48
130_K	173_N	0.510	0.48
275_G	278_G	0.509	0.47
29_S	298_S	0.507	0.47
21_A	40_F	0.507	0.47
31_Y	259_D	0.506	0.47
30_A	107_E	0.506	0.47
213_W	233_F	0.504	0.47
305_G	322_Q	0.504	0.47
5_H	181_P	0.504	0.47
213_W	266_L	0.503	0.47
255_H	266_L	0.502	0.47
49_L	191_G	0.502	0.47
124_A	281_N	0.502	0.47
198_A	226_A	0.501	0.46
9_D	116_R	0.500	0.46
4_F	7_M	0.500	0.46

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
2we8A	2	0.9455	100	0.105	Contact Map
3on5A	4	0.9788	100	0.116	Contact Map
1id1A	2	0.4242	97.2	0.921	Contact Map
2g1uA	2	0.4	97.1	0.923	Contact Map
3l9wA	2	0.4212	97	0.923	Contact Map
3fwzA	2	0.4091	96.9	0.924	Contact Map
3q2oA	2	0.4242	96.6	0.928	Contact Map
3llvA	2	0.397	96.5	0.928	Contact Map
3l4bC	2	0.4121	96.3	0.93	Contact Map
1lssA	3	0.3909	96.2	0.93	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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