Q9HR27 - HALSA - GREMLIN Contacts

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Q9HR27 - NADH dehydrogenase

UniProt:	Q9HR27	Sequences: MTTRVVVLGAGYAGAGAIAGLESELGPDAELVWVADTDYHLVLHEAHRVIRDPGVQEKITIPVEDIKSRTTEFIEDSVTDIDTDERSVSLADGDDVAYDYLVVGIGSETATYGIEGMAEHPLTLKSLDDAMEIHEQVREAAQDATRDDPANVVIGGAGLSGIQSAGEVAEFRDRHNAPIDVTLVEALPEIFPPGDSEIQGALRHRLEDAGVTILTDDPITAASEDAIEFDERDSLDYDVFVWTGGVTGPSELSDVEMDAEHNRLQASSTLQADDERVFAVGDCSMISQGNDDVAPPTAQAAWQAADVVARNVARAMEGRPLETWTYEDQGTLVSVGETAIAHDVEMSGIAAPIRTFGNMPAKVLKKGAAARWIAKITSWSRAMKAWDAL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	389 (314)
Sequences:	34749 (24697)
Seq/√Len:	1393.7

ECOLI - RCLA STHA DHNA DLDH GSHR HCAD NORW NIRB TRXB AHPF PRET GLTD
BACSU - YJLD YUMB DLDH2 DLDH3 DLDH1 YUTJ NASB NASD TRXB YPDA FENR1 FENR2 DHNA CZCO GLTB
HALSA - Q9HR27 Q9HP48 Q9HSN0 DLDH P82854
SULSO - Q97XZ3 Q97WE3 Q97VD9 Q97YT2 Q97VJ3 Q97WG1 Q97Z19 Q97U72 Q97UV0 Q97Y24 Q97UP4 Q97ZB4 Q97VQ4 Q97W27 Q97Z14 Q97V69 FENR

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
153_V	237_Y	4.172	1.00
36_D	77_S	4.014	1.00
4_R	30_E	3.510	1.00
151_N	180_D	3.291	1.00
182_T	214_L	3.066	1.00
86_R	276_R	3.037	1.00
87_S	95_D	2.977	1.00
203_R	207_E	2.795	1.00
180_D	212_T	2.735	1.00
267_S	271_Q	2.704	1.00
223_S	228_E	2.568	1.00
17_A	102_V	2.568	1.00
32_V	74_I	2.534	1.00
221_A	228_E	2.399	1.00
4_R	32_V	2.393	1.00
83_T	274_D	2.360	1.00
110_A	247_T	2.342	1.00
258_D	265_Q	2.304	1.00
4_R	99_D	2.276	1.00
186_A	218_P	2.265	1.00
34_V	96_V	2.248	1.00
89_S	95_D	2.247	1.00
153_V	184_V	2.241	1.00
100_Y	276_R	2.205	1.00
98_Y	101_L	2.169	1.00
82_D	85_E	2.159	1.00
115_E	221_A	2.156	1.00
5_V	21_L	2.134	1.00
108_E	249_P	2.130	1.00
30_E	72_E	2.119	1.00
151_N	182_T	2.093	1.00
228_E	234_S	2.063	1.00
6_V	34_V	2.015	1.00
86_R	90_L	2.015	1.00
151_N	238_D	1.983	1.00
182_T	212_T	1.977	1.00
108_E	247_T	1.931	1.00
188_P	216_D	1.928	1.00
337_E	342_H	1.886	1.00
6_V	88_V	1.859	1.00
87_S	97_A	1.858	1.00
102_V	312_V	1.857	1.00
108_E	250_S	1.836	1.00
13_A	280_V	1.826	1.00
214_L	233_D	1.792	1.00
6_V	96_V	1.783	1.00
217_D	231_E	1.773	1.00
258_D	273_D	1.772	1.00
189_E	199_Q	1.724	1.00
251_E	254_D	1.723	1.00
105_I	283_C	1.710	1.00
278_F	311_N	1.702	1.00
100_Y	278_F	1.701	1.00
128_D	131_M	1.685	1.00
153_V	227_I	1.665	1.00
80_D	89_S	1.665	1.00
196_S	340_I	1.643	1.00
271_Q	275_E	1.601	1.00
83_T	277_V	1.595	1.00
220_T	228_E	1.563	1.00
214_L	217_D	1.530	1.00
218_P	230_D	1.528	1.00
148_D	179_I	1.526	1.00
308_V	312_V	1.522	1.00
152_V	168_V	1.508	1.00
184_V	235_L	1.504	1.00
196_S	200_G	1.473	1.00
6_V	32_V	1.465	1.00
100_Y	312_V	1.459	1.00
77_S	91_A	1.448	1.00
80_D	254_D	1.430	1.00
169_A	211_V	1.427	1.00
157_A	185_E	1.426	1.00
62_P	65_D	1.422	1.00
6_V	98_Y	1.413	1.00
7_V	18_I	1.411	1.00
124_L	127_L	1.399	1.00
10_A	35_A	1.393	1.00
205_R	208_D	1.392	1.00
314_R	319_R	1.383	1.00
150_A	238_D	1.383	1.00
307_V	311_N	1.379	1.00
5_V	29_A	1.379	1.00
264_L	279_A	1.362	1.00
126_S	129_D	1.360	1.00
79_T	89_S	1.357	1.00
162_I	183_L	1.356	1.00
151_N	236_D	1.352	1.00
309_A	313_A	1.351	1.00
90_L	96_V	1.348	1.00
169_A	180_D	1.342	1.00
152_V	239_V	1.341	1.00
152_V	179_I	1.335	1.00
59_I	62_P	1.334	1.00
102_V	280_V	1.331	1.00
185_E	215_T	1.323	1.00
203_R	215_T	1.316	1.00
13_A	301_A	1.315	1.00
223_S	234_S	1.310	1.00
122_L	136_Q	1.305	1.00
79_T	91_A	1.291	1.00
82_D	87_S	1.287	1.00
305_A	309_A	1.287	1.00
217_D	230_D	1.276	1.00
205_R	209_A	1.259	1.00
64_E	67_K	1.251	1.00
63_V	66_I	1.250	1.00
20_G	310_R	1.244	1.00
5_V	102_V	1.227	1.00
189_E	196_S	1.211	1.00
127_L	131_M	1.210	1.00
8_L	105_I	1.200	1.00
8_L	78_V	1.195	1.00
62_P	66_I	1.193	1.00
107_S	246_V	1.193	1.00
204_H	207_E	1.188	1.00
280_V	308_V	1.177	1.00
220_T	230_D	1.177	1.00
170_E	209_A	1.175	1.00
269_T	311_N	1.173	1.00
74_I	96_V	1.149	1.00
131_M	134_H	1.147	1.00
32_V	96_V	1.145	1.00
104_G	280_V	1.142	1.00
214_L	235_L	1.140	1.00
204_H	208_D	1.135	1.00
129_D	132_E	1.131	1.00
270_L	308_V	1.128	1.00
4_R	97_A	1.126	1.00
200_G	203_R	1.119	1.00
8_L	103_V	1.104	1.00
222_A	240_F	1.102	1.00
149_P	179_I	1.100	1.00
125_K	128_D	1.098	1.00
76_D	92_D	1.098	1.00
217_D	233_D	1.093	1.00
229_F	235_L	1.092	1.00
32_V	72_E	1.085	1.00
7_V	14_G	1.082	1.00
271_Q	276_R	1.075	1.00
113_G	117_M	1.075	1.00
20_G	306_D	1.072	1.00
61_I	65_D	1.059	1.00
120_H	224_E	1.054	1.00
153_V	235_L	1.054	1.00
270_L	284_S	1.039	1.00
203_R	213_I	1.038	1.00
17_A	280_V	1.034	1.00
189_E	203_R	1.028	1.00
266_A	284_S	1.024	1.00
190_I	215_T	1.008	1.00
34_V	74_I	1.006	1.00
103_V	283_C	1.001	1.00
151_N	179_I	0.994	1.00
22_E	71_T	0.988	1.00
261_H	285_M	0.986	1.00
21_L	309_A	0.986	1.00
201_A	205_R	0.985	1.00
217_D	229_F	0.978	1.00
250_S	254_D	0.972	1.00
124_L	130_A	0.965	1.00
155_G	240_F	0.964	1.00
237_Y	240_F	0.953	1.00
185_E	192_P	0.951	1.00
223_S	226_A	0.949	1.00
264_L	283_C	0.949	1.00
123_T	126_S	0.947	1.00
124_L	128_D	0.947	1.00
82_D	89_S	0.946	1.00
34_V	90_L	0.945	1.00
74_I	94_D	0.943	1.00
169_A	209_A	0.941	1.00
279_A	283_C	0.935	1.00
250_S	253_S	0.933	1.00
310_R	315_A	0.932	1.00
58_K	61_I	0.932	1.00
162_I	328_D	0.931	1.00
157_A	190_I	0.930	1.00
65_D	68_S	0.929	1.00
14_G	18_I	0.928	1.00
109_T	112_Y	0.926	1.00
17_A	305_A	0.924	1.00
274_D	277_V	0.923	1.00
266_A	279_A	0.922	1.00
34_V	78_V	0.919	1.00
101_L	277_V	0.917	1.00
85_E	95_D	0.915	1.00
17_A	308_V	0.914	1.00
35_A	73_F	0.911	1.00
278_F	308_V	0.905	1.00
60_T	64_E	0.903	1.00
182_T	237_Y	0.898	1.00
130_A	133_I	0.898	1.00
308_V	311_N	0.896	1.00
121_P	222_A	0.896	1.00
134_H	138_R	0.892	1.00
82_D	86_R	0.881	1.00
130_A	134_H	0.881	1.00
20_G	23_S	0.880	1.00
18_I	71_T	0.880	1.00
78_V	81_I	0.877	1.00
128_D	132_E	0.873	1.00
194_G	324_W	0.871	1.00
114_I	117_M	0.868	1.00
155_G	242_W	0.865	1.00
38_D	76_D	0.864	1.00
90_L	94_D	0.864	1.00
125_K	129_D	0.863	1.00
165_A	183_L	0.859	1.00
271_Q	311_N	0.850	1.00
272_A	279_A	0.846	1.00
155_G	244_G	0.844	1.00
61_I	64_E	0.842	1.00
102_V	308_V	0.841	1.00
127_L	130_A	0.838	1.00
279_A	284_S	0.837	1.00
66_I	69_R	0.833	1.00
278_F	312_V	0.833	1.00
265_Q	273_D	0.832	1.00
76_D	91_A	0.828	1.00
271_Q	278_F	0.822	1.00
201_A	204_H	0.822	1.00
184_V	214_L	0.821	1.00
259_A	265_Q	0.819	1.00
338_T	341_A	0.818	1.00
260_E	265_Q	0.815	1.00
184_V	217_D	0.813	1.00
324_W	334_S	0.812	1.00
271_Q	274_D	0.812	1.00
182_T	235_L	0.808	1.00
14_G	104_G	0.805	1.00
55_V	58_K	0.804	1.00
184_V	229_F	0.803	1.00
270_L	307_V	0.803	1.00
10_A	33_W	0.801	1.00
251_E	255_V	0.799	1.00
80_D	101_L	0.799	1.00
200_G	204_H	0.798	1.00
19_A	23_S	0.798	1.00
29_A	99_D	0.795	1.00
132_E	135_E	0.794	1.00
60_T	63_V	0.791	1.00
16_G	302_W	0.789	1.00
49_V	52_D	0.788	1.00
17_A	309_A	0.786	1.00
49_V	56_Q	0.786	1.00
225_D	236_D	0.785	1.00
58_K	62_P	0.784	1.00
115_E	118_A	0.779	1.00
189_E	200_G	0.776	1.00
78_V	82_D	0.776	1.00
187_L	192_P	0.774	1.00
166_G	170_E	0.773	1.00
300_A	304_A	0.770	1.00
7_V	17_A	0.770	1.00
40_H	73_F	0.770	1.00
5_V	312_V	0.767	1.00
21_L	29_A	0.767	1.00
326_Y	330_G	0.764	1.00
125_K	133_I	0.764	1.00
188_P	196_S	0.762	1.00
20_G	309_A	0.761	1.00
303_Q	306_D	0.761	1.00
266_A	270_L	0.760	1.00
19_A	69_R	0.759	1.00
207_E	212_T	0.754	1.00
150_A	179_I	0.753	1.00
16_G	20_G	0.752	1.00
155_G	219_I	0.744	1.00
165_A	181_V	0.743	1.00
98_Y	276_R	0.743	1.00
133_I	239_V	0.742	1.00
37_T	47_H	0.739	1.00
154_I	161_G	0.738	1.00
230_D	233_D	0.738	1.00
134_H	171_F	0.737	1.00
135_E	138_R	0.735	1.00
6_V	101_L	0.733	1.00
337_E	341_A	0.732	1.00
21_L	31_L	0.731	1.00
131_M	135_E	0.731	1.00
110_A	113_G	0.729	1.00
150_A	180_D	0.727	1.00
162_I	206_L	0.726	1.00
13_A	104_G	0.726	1.00
151_N	237_Y	0.725	1.00
154_I	165_A	0.724	1.00
22_E	70_T	0.721	1.00
161_G	185_E	0.718	1.00
64_E	75_E	0.716	1.00
310_R	314_R	0.715	1.00
194_G	334_S	0.710	1.00
154_I	241_V	0.709	1.00
190_I	203_R	0.708	1.00
39_Y	60_T	0.707	1.00
278_F	315_A	0.704	1.00
206_L	213_I	0.702	1.00
125_K	131_M	0.699	1.00
306_D	310_R	0.698	1.00
81_I	95_D	0.698	1.00
301_A	305_A	0.697	1.00
164_S	167_E	0.697	1.00
226_A	234_S	0.695	1.00
129_D	133_I	0.694	1.00
61_I	66_I	0.693	1.00
122_L	239_V	0.692	1.00
4_R	29_A	0.691	1.00
112_Y	242_W	0.685	1.00
116_G	221_A	0.684	1.00
269_T	316_M	0.681	1.00
220_T	232_R	0.680	1.00
72_E	75_E	0.679	1.00
125_K	130_A	0.678	1.00
45_E	48_R	0.677	1.00
29_A	313_A	0.676	1.00
149_P	238_D	0.673	1.00
100_Y	315_A	0.672	1.00
119_E	224_E	0.672	1.00
183_L	213_I	0.667	1.00
16_G	19_A	0.667	1.00
263_R	296_P	0.666	1.00
18_I	33_W	0.665	1.00
77_S	80_D	0.661	1.00
190_I	199_Q	0.658	1.00
117_M	242_W	0.658	1.00
38_D	75_E	0.658	1.00
164_S	241_V	0.657	1.00
36_D	249_P	0.657	1.00
272_A	277_V	0.656	1.00
320_P	323_T	0.656	1.00
44_H	49_V	0.654	1.00
255_V	274_D	0.652	1.00
327_E	330_G	0.650	1.00
83_T	98_Y	0.649	1.00
78_V	88_V	0.648	1.00
132_E	136_Q	0.648	1.00
197_E	200_G	0.647	1.00
4_R	96_V	0.647	1.00
126_S	130_A	0.647	1.00
105_I	251_E	0.646	1.00
260_E	263_R	0.644	1.00
123_T	129_D	0.642	1.00
165_A	211_V	0.641	1.00
111_T	242_W	0.640	1.00
16_G	305_A	0.638	1.00
248_G	263_R	0.637	1.00
58_K	63_V	0.634	1.00
111_T	123_T	0.634	1.00
268_S	318_G	0.634	1.00
58_K	66_I	0.634	1.00
153_V	240_F	0.634	1.00
21_L	313_A	0.633	1.00
156_G	161_G	0.631	1.00
229_F	233_D	0.629	1.00
111_T	117_M	0.628	1.00
22_E	31_L	0.628	1.00
60_T	66_I	0.628	1.00
128_D	133_I	0.625	1.00
110_A	244_G	0.622	1.00
16_G	306_D	0.622	1.00
84_D	274_D	0.621	1.00
315_A	318_G	0.618	1.00
286_I	295_P	0.618	1.00
257_M	264_L	0.617	1.00
49_V	131_M	0.616	1.00
152_V	241_V	0.612	1.00
21_L	312_V	0.610	1.00
264_L	272_A	0.610	1.00
252_L	255_V	0.608	1.00
100_Y	316_M	0.606	1.00
196_S	199_Q	0.604	1.00
14_G	33_W	0.604	1.00
90_L	93_G	0.604	1.00
189_E	340_I	0.603	1.00
323_T	327_E	0.603	1.00
255_V	259_A	0.603	1.00
30_E	99_D	0.601	1.00
113_G	116_G	0.601	1.00
153_V	182_T	0.598	1.00
262_N	285_M	0.598	1.00
323_T	330_G	0.597	1.00
160_S	243_T	0.594	1.00
44_H	47_H	0.594	1.00
84_D	87_S	0.593	1.00
159_L	163_Q	0.591	1.00
270_L	311_N	0.590	1.00
257_M	272_A	0.588	1.00
29_A	312_V	0.587	1.00
253_S	259_A	0.585	1.00
280_V	305_A	0.583	1.00
76_D	90_L	0.580	1.00
190_I	213_I	0.576	1.00
85_E	97_A	0.575	1.00
259_A	264_L	0.573	1.00
199_Q	203_R	0.572	1.00
81_I	103_V	0.570	1.00
219_I	227_I	0.568	1.00
80_D	83_T	0.567	1.00
12_Y	16_G	0.564	1.00
282_D	301_A	0.564	1.00
48_R	51_R	0.562	1.00
17_A	21_L	0.562	1.00
124_L	133_I	0.562	1.00
59_I	65_D	0.561	1.00
117_M	121_P	0.561	1.00
152_V	181_V	0.561	1.00
44_H	48_R	0.560	1.00
56_Q	131_M	0.559	1.00
268_S	287_S	0.555	1.00
111_T	118_A	0.553	1.00
33_W	71_T	0.553	1.00
126_S	131_M	0.552	1.00
12_Y	298_A	0.551	1.00
27_P	310_R	0.551	1.00
83_T	276_R	0.550	1.00
198_I	201_A	0.549	1.00
321_L	324_W	0.548	1.00
259_A	263_R	0.548	1.00
185_E	188_P	0.547	1.00
5_V	100_Y	0.546	1.00
161_G	243_T	0.545	1.00
48_R	53_P	0.545	1.00
50_I	54_G	0.545	1.00
314_R	318_G	0.543	1.00
297_T	300_A	0.542	1.00
261_H	265_Q	0.540	1.00
325_T	328_D	0.538	1.00
35_A	75_E	0.536	1.00
33_W	73_F	0.532	1.00
164_S	168_V	0.529	1.00
123_T	127_L	0.528	1.00
255_V	277_V	0.527	1.00
5_V	31_L	0.526	1.00
79_T	82_D	0.525	1.00
323_T	328_D	0.525	1.00
259_A	262_N	0.524	1.00
298_A	301_A	0.524	1.00
326_Y	329_Q	0.523	1.00
6_V	86_R	0.523	1.00
206_L	330_G	0.523	1.00
299_Q	303_Q	0.522	1.00
15_A	33_W	0.521	1.00
23_S	69_R	0.521	1.00
162_I	213_I	0.520	1.00
59_I	63_V	0.520	1.00
49_V	53_P	0.517	1.00
257_M	274_D	0.516	1.00
162_I	190_I	0.515	1.00
43_L	47_H	0.515	1.00
12_Y	302_W	0.514	1.00
10_A	40_H	0.513	1.00
124_L	131_M	0.512	1.00
331_T	334_S	0.511	1.00
333_V	336_G	0.511	1.00
166_G	209_A	0.510	1.00
321_L	330_G	0.510	1.00
256_E	259_A	0.510	1.00
29_A	100_Y	0.510	1.00
43_L	46_A	0.509	1.00
252_L	259_A	0.507	1.00
284_S	304_A	0.505	1.00
60_T	65_D	0.504	1.00
160_S	163_Q	0.504	1.00
314_R	317_E	0.504	1.00
207_E	213_I	0.504	1.00
324_W	329_Q	0.503	1.00
258_D	272_A	0.502	1.00
295_P	300_A	0.502	1.00
27_P	313_A	0.501	1.00
5_V	17_A	0.500	1.00
52_D	56_Q	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
4nwzA	2	0.9537	100	0.282	Contact Map
3l8kA	3	0.9152	100	0.286	Contact Map
1ojtA	2	0.9177	100	0.29	Contact Map
3icsA	2	0.9614	100	0.296	Contact Map
1lvlA	2	0.9075	100	0.298	Contact Map
3urhA	2	0.9203	100	0.3	Contact Map
1v59A	2	0.9203	100	0.302	Contact Map
4jq9A	3	0.9152	100	0.302	Contact Map
2a8xA	2	0.9152	100	0.304	Contact Map
3ladA	2	0.9203	100	0.306	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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