Q9HMB6 - HALSA - GREMLIN Contacts

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Q9HMB6 - Alcohol dehydrogenase

UniProt:	Q9HMB6	Sequences: MRAAVYQGPGEIAVEEVPKPDIESPEDAVIRVTHTAVCGSDLWFYRGDSDREAGSRVGHEPMGIVEEVGDDVTSVAPGDRVIAPFAISCGECEFCRQGLYTSCVEDESWGSEANGGGQGEYVKCPFADGTLVRVPDRYADDEDVLESLLPLTDVMGTGHHAAVSAGVGEGDTAVVVGDGAVGLCGVLAAQRLGAERIIAMGHHEDRLELAAEFGATDTISARGDDAIERARDLTHGGANHVMECVGAASAMDSAIAIARPGGTVGYVGVPYGVEDGGLDVFTMFSDNITIRGGVAPVRAYAEELMADVLQGTLDPSPIFTKTVDLDGVPEGYAAMDDREAIKVLVKA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	347 (300)
Sequences:	52783 (36578)
Seq/√Len:	2111.8

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

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
33_T	140_D	2.986	1.00
31_R	66_E	2.944	1.00
33_T	64_I	2.875	1.00
327_G	330_E	2.720	1.00
172_T	196_R	2.572	1.00
7_Q	15_E	2.570	1.00
29_V	66_E	2.497	1.00
76_A	79_D	2.483	1.00
80_R	134_V	2.398	1.00
79_D	133_R	2.330	1.00
28_A	131_L	2.306	1.00
178_D	199_A	2.296	1.00
19_K	121_Y	2.286	1.00
7_Q	13_A	2.265	1.00
139_A	142_E	2.252	1.00
190_Q	216_T	2.223	1.00
323_V	334_A	2.223	1.00
31_R	121_Y	2.200	1.00
321_K	334_A	2.161	1.00
31_R	64_I	2.160	1.00
173_A	189_A	2.153	1.00
168_G	171_D	2.095	1.00
61_P	117_G	2.095	1.00
5_V	15_E	2.082	1.00
229_R	232_D	2.079	1.00
61_P	83_A	2.070	1.00
141_D	322_T	2.051	1.00
207_L	211_A	2.037	1.00
24_S	27_D	2.020	1.00
25_P	70_D	2.011	1.00
163_V	192_L	1.995	1.00
25_P	71_D	1.978	1.00
29_V	123_K	1.965	1.00
196_R	217_D	1.963	1.00
137_R	309_L	1.942	1.00
186_V	215_A	1.929	1.00
66_E	121_Y	1.920	1.00
26_E	71_D	1.915	1.00
324_D	327_G	1.903	1.00
208_E	212_E	1.901	1.00
46_R	336_D	1.890	1.00
191_R	312_T	1.858	1.00
333_A	337_D	1.836	1.00
306_A	310_Q	1.828	1.00
155_M	184_C	1.798	1.00
80_R	140_D	1.790	1.00
208_E	211_A	1.763	1.00
207_L	218_T	1.753	1.00
62_M	140_D	1.732	1.00
163_V	303_E	1.725	1.00
174_V	200_M	1.713	1.00
334_A	339_E	1.712	1.00
174_V	238_A	1.680	1.00
239_N	259_R	1.680	1.00
263_T	289_T	1.680	1.00
134_V	140_D	1.661	1.00
217_D	233_L	1.647	1.00
263_T	291_R	1.644	1.00
330_E	333_A	1.614	1.00
330_E	334_A	1.601	1.00
198_I	238_A	1.596	1.00
209_L	212_E	1.595	1.00
4_A	328_V	1.593	1.00
21_D	67_E	1.556	1.00
64_I	80_R	1.551	1.00
29_V	121_Y	1.549	1.00
196_R	216_T	1.537	1.00
323_V	331_G	1.531	1.00
258_A	264_V	1.516	1.00
176_V	254_A	1.494	1.00
201_G	207_L	1.493	1.00
67_E	77_P	1.492	1.00
204_E	220_S	1.477	1.00
68_V	77_P	1.465	1.00
75_V	79_D	1.461	1.00
29_V	67_E	1.461	1.00
204_E	208_E	1.452	1.00
241_V	258_A	1.452	1.00
329_P	333_A	1.438	1.00
204_E	223_G	1.437	1.00
125_P	129_G	1.437	1.00
32_V	61_P	1.436	1.00
118_Q	332_Y	1.426	1.00
258_A	288_I	1.420	1.00
27_D	125_P	1.403	1.00
27_D	123_K	1.396	1.00
26_E	125_P	1.395	1.00
75_V	133_R	1.395	1.00
258_A	262_G	1.378	1.00
220_S	223_G	1.374	1.00
3_A	17_V	1.372	1.00
165_A	240_H	1.368	1.00
69_G	72_V	1.366	1.00
320_T	334_A	1.358	1.00
171_D	263_T	1.353	1.00
241_V	254_A	1.353	1.00
191_R	307_D	1.349	1.00
80_R	136_D	1.349	1.00
134_V	148_L	1.333	1.00
4_A	14_V	1.332	1.00
225_D	228_E	1.328	1.00
224_D	229_R	1.326	1.00
159_H	163_V	1.317	1.00
34_H	141_D	1.309	1.00
28_A	75_V	1.305	1.00
202_H	221_A	1.299	1.00
45_Y	332_Y	1.289	1.00
204_E	207_L	1.282	1.00
306_A	309_L	1.276	1.00
64_I	140_D	1.273	1.00
65_V	75_V	1.269	1.00
33_T	80_R	1.262	1.00
172_T	198_I	1.258	1.00
185_G	242_M	1.255	1.00
176_V	200_M	1.244	1.00
22_I	123_K	1.241	1.00
229_R	233_L	1.228	1.00
32_V	122_V	1.220	1.00
228_E	232_D	1.211	1.00
22_I	29_V	1.210	1.00
19_K	29_V	1.190	1.00
186_V	199_A	1.169	1.00
8_G	11_E	1.168	1.00
75_V	131_L	1.167	1.00
187_L	314_D	1.163	1.00
314_D	317_P	1.154	1.00
212_E	317_P	1.152	1.00
227_I	256_A	1.151	1.00
207_L	220_S	1.134	1.00
211_A	218_T	1.123	1.00
5_V	17_V	1.120	1.00
307_D	312_T	1.112	1.00
172_T	239_N	1.112	1.00
303_E	306_A	1.096	1.00
167_V	194_A	1.093	1.00
256_A	282_T	1.077	1.00
171_D	239_N	1.066	1.00
209_L	340_A	1.059	1.00
189_A	194_A	1.044	1.00
158_G	185_G	1.044	1.00
45_Y	336_D	1.040	1.00
124_C	131_L	1.039	1.00
198_I	217_D	1.038	1.00
225_D	229_R	1.036	1.00
167_V	171_D	1.036	1.00
14_V	326_D	1.033	1.00
298_R	302_E	1.032	1.00
30_I	81_V	1.017	1.00
227_I	253_S	1.016	1.00
253_S	256_A	1.015	1.00
328_V	345_V	1.015	1.00
160_H	300_Y	1.011	1.00
7_Q	11_E	1.009	1.00
4_A	325_L	1.003	1.00
34_H	140_D	1.000	1.00
245_V	250_A	1.000	1.00
333_A	336_D	0.999	1.00
30_I	63_G	0.995	1.00
66_E	77_P	0.994	1.00
22_I	27_D	0.993	1.00
165_A	265_G	0.992	1.00
161_A	267_V	0.992	1.00
159_H	303_E	0.988	1.00
35_T	118_Q	0.987	1.00
37_V	331_G	0.981	1.00
323_V	327_G	0.977	1.00
227_I	231_R	0.977	1.00
202_H	222_R	0.969	1.00
334_A	343_V	0.961	1.00
303_E	307_D	0.958	1.00
158_G	188_A	0.956	1.00
199_A	210_A	0.955	1.00
211_A	217_D	0.954	1.00
163_V	300_Y	0.950	1.00
161_A	242_M	0.943	1.00
155_M	304_L	0.942	1.00
203_H	206_R	0.938	1.00
178_D	201_G	0.936	1.00
302_E	306_A	0.935	1.00
178_D	186_V	0.925	1.00
35_T	117_G	0.924	1.00
142_E	314_D	0.922	1.00
230_A	238_A	0.914	1.00
252_D	256_A	0.913	1.00
42_L	335_M	0.912	1.00
183_L	209_L	0.909	1.00
178_D	210_A	0.907	1.00
282_T	286_D	0.906	1.00
171_D	240_H	0.897	1.00
223_G	229_R	0.896	1.00
4_A	12_I	0.895	1.00
186_V	197_I	0.892	1.00
82_I	305_M	0.891	1.00
68_V	76_A	0.890	1.00
138_Y	148_L	0.888	1.00
199_A	215_A	0.887	1.00
249_S	253_S	0.886	1.00
234_T	237_G	0.885	1.00
200_M	221_A	0.881	1.00
205_D	208_E	0.878	1.00
33_T	62_M	0.876	1.00
9_P	53_A	0.876	1.00
38_C	60_E	0.876	1.00
206_R	340_A	0.875	1.00
174_V	257_I	0.872	1.00
118_Q	328_V	0.864	1.00
34_H	344_L	0.863	1.00
198_I	219_I	0.863	1.00
243_E	246_G	0.861	1.00
5_V	56_R	0.859	1.00
19_K	67_E	0.846	1.00
261_G	287_N	0.843	1.00
31_R	120_E	0.842	1.00
176_V	241_V	0.836	1.00
38_C	59_H	0.836	1.00
3_A	56_R	0.829	1.00
151_L	308_V	0.828	1.00
175_V	189_A	0.827	1.00
68_V	72_V	0.823	1.00
132_V	302_E	0.820	1.00
210_A	215_A	0.817	1.00
192_L	303_E	0.810	1.00
189_A	197_I	0.803	1.00
19_K	66_E	0.802	1.00
201_G	218_T	0.797	1.00
283_M	290_I	0.795	1.00
202_H	207_L	0.794	1.00
61_P	122_V	0.792	1.00
198_I	233_L	0.791	1.00
299_A	303_E	0.790	1.00
241_V	264_V	0.789	1.00
117_G	122_V	0.786	1.00
198_I	230_A	0.785	1.00
188_A	304_L	0.785	1.00
173_A	194_A	0.784	1.00
254_A	264_V	0.782	1.00
176_V	250_A	0.779	1.00
162_A	189_A	0.779	1.00
37_V	335_M	0.778	1.00
323_V	343_V	0.777	1.00
307_D	310_Q	0.777	1.00
83_A	124_C	0.776	1.00
226_A	253_S	0.776	1.00
136_D	309_L	0.775	1.00
36_A	60_E	0.774	1.00
175_V	185_G	0.773	1.00
17_V	56_R	0.771	1.00
24_S	123_K	0.770	1.00
172_T	238_A	0.765	1.00
118_Q	345_V	0.763	1.00
14_V	325_L	0.763	1.00
38_C	41_D	0.760	1.00
244_C	267_V	0.759	1.00
166_G	289_T	0.756	1.00
76_A	133_R	0.754	1.00
21_D	29_V	0.754	1.00
321_K	330_E	0.753	1.00
279_D	282_T	0.750	1.00
197_I	216_T	0.749	1.00
305_M	309_L	0.745	1.00
166_G	263_T	0.744	1.00
158_G	184_C	0.740	1.00
319_F	322_T	0.737	1.00
4_A	329_P	0.736	1.00
225_D	253_S	0.732	1.00
283_M	292_G	0.732	1.00
334_A	337_D	0.729	1.00
188_A	307_D	0.729	1.00
228_E	231_R	0.728	1.00
227_I	257_I	0.728	1.00
40_S	59_H	0.722	1.00
161_A	185_G	0.721	1.00
81_V	131_L	0.721	1.00
252_D	282_T	0.712	1.00
82_I	134_V	0.710	1.00
266_Y	290_I	0.708	1.00
26_E	69_G	0.705	1.00
299_A	302_E	0.705	1.00
28_A	65_V	0.698	1.00
156_G	300_Y	0.696	1.00
135_P	309_L	0.696	1.00
42_L	336_D	0.693	1.00
159_H	307_D	0.693	1.00
160_H	287_N	0.690	1.00
26_E	70_D	0.688	1.00
138_Y	308_V	0.687	1.00
209_L	213_F	0.687	1.00
34_H	322_T	0.687	1.00
167_V	240_H	0.685	1.00
297_V	300_Y	0.684	1.00
238_A	241_V	0.684	1.00
194_A	240_H	0.678	1.00
323_V	345_V	0.678	1.00
132_V	301_A	0.677	1.00
252_D	275_D	0.675	1.00
158_G	181_V	0.674	1.00
251_M	264_V	0.674	1.00
52_E	55_S	0.673	1.00
335_M	343_V	0.673	1.00
159_H	304_L	0.671	1.00
32_V	35_T	0.670	1.00
79_D	136_D	0.670	1.00
82_I	152_T	0.669	1.00
51_R	55_S	0.669	1.00
60_E	153_D	0.668	1.00
217_D	229_R	0.668	1.00
243_E	264_V	0.668	1.00
175_V	199_A	0.664	1.00
22_I	67_E	0.663	1.00
10_G	45_Y	0.658	1.00
283_M	288_I	0.657	1.00
150_P	344_L	0.656	1.00
20_P	123_K	0.652	1.00
83_A	131_L	0.651	1.00
203_H	220_S	0.650	1.00
163_V	188_A	0.649	1.00
186_V	213_F	0.647	1.00
34_H	62_M	0.647	1.00
282_T	285_S	0.645	1.00
38_C	153_D	0.642	1.00
157_T	181_V	0.640	1.00
166_G	291_R	0.640	1.00
219_I	233_L	0.637	1.00
187_L	213_F	0.637	1.00
212_E	314_D	0.635	1.00
247_A	250_A	0.635	1.00
26_E	129_G	0.634	1.00
240_H	265_G	0.630	1.00
307_D	311_G	0.630	1.00
296_P	300_Y	0.629	1.00
154_V	184_C	0.629	1.00
158_G	162_A	0.628	1.00
231_R	237_G	0.628	1.00
74_S	298_R	0.627	1.00
80_R	137_R	0.626	1.00
59_H	153_D	0.626	1.00
240_H	263_T	0.625	1.00
160_H	164_S	0.622	1.00
62_M	80_R	0.622	1.00
260_P	286_D	0.622	1.00
226_A	230_A	0.622	1.00
194_A	197_I	0.622	1.00
40_S	44_F	0.621	1.00
321_K	343_V	0.621	1.00
62_M	134_V	0.619	1.00
43_W	48_D	0.618	1.00
42_L	46_R	0.615	1.00
296_P	299_A	0.614	1.00
201_G	221_A	0.614	1.00
132_V	305_M	0.613	1.00
183_L	318_I	0.612	1.00
190_Q	197_I	0.611	1.00
275_D	279_D	0.611	1.00
164_S	300_Y	0.610	1.00
321_K	340_A	0.607	1.00
30_I	83_A	0.605	1.00
185_G	267_V	0.605	1.00
154_V	180_A	0.601	1.00
38_C	154_V	0.600	1.00
169_E	192_L	0.598	1.00
215_A	218_T	0.598	1.00
22_I	69_G	0.598	1.00
35_T	345_V	0.597	1.00
230_A	257_I	0.596	1.00
174_V	241_V	0.596	1.00
8_G	13_A	0.592	1.00
219_I	229_R	0.589	1.00
250_A	254_A	0.589	1.00
84_P	132_V	0.586	1.00
165_A	263_T	0.585	1.00
159_H	300_Y	0.584	1.00
238_A	257_I	0.583	1.00
161_A	265_G	0.581	1.00
202_H	210_A	0.581	1.00
20_P	27_D	0.581	1.00
37_V	118_Q	0.579	1.00
12_I	332_Y	0.578	1.00
332_Y	336_D	0.577	1.00
39_G	43_W	0.575	1.00
209_L	318_I	0.575	1.00
74_S	77_P	0.573	1.00
62_M	149_L	0.572	1.00
301_A	305_M	0.570	1.00
20_P	121_Y	0.569	1.00
188_A	192_L	0.569	1.00
73_T	76_A	0.568	1.00
125_P	130_T	0.566	1.00
68_V	79_D	0.564	1.00
172_T	234_T	0.564	1.00
30_I	131_L	0.562	1.00
164_S	289_T	0.562	1.00
207_L	210_A	0.561	1.00
40_S	43_W	0.558	1.00
157_T	267_V	0.557	1.00
18_P	21_D	0.555	1.00
173_A	240_H	0.555	1.00
300_Y	303_E	0.555	1.00
249_S	252_D	0.554	1.00
186_V	210_A	0.553	1.00
74_S	133_R	0.551	1.00
83_A	117_G	0.550	1.00
210_A	218_T	0.550	1.00
87_I	130_T	0.548	1.00
162_A	188_A	0.548	1.00
172_T	217_D	0.547	1.00
58_G	118_Q	0.546	1.00
183_L	213_F	0.546	1.00
175_V	186_V	0.545	1.00
320_T	341_I	0.544	1.00
323_V	330_E	0.543	1.00
281_F	285_S	0.543	1.00
321_K	327_G	0.542	1.00
169_E	193_G	0.541	1.00
19_K	22_I	0.541	1.00
164_S	296_P	0.538	1.00
184_C	188_A	0.537	1.00
153_D	157_T	0.537	1.00
184_C	313_L	0.536	1.00
285_S	294_V	0.535	1.00
231_R	234_T	0.535	1.00
252_D	277_G	0.531	1.00
251_M	266_Y	0.527	1.00
241_V	257_I	0.527	1.00
159_H	188_A	0.527	1.00
162_A	185_G	0.527	1.00
132_V	298_R	0.525	1.00
265_G	293_G	0.525	1.00
250_A	253_S	0.525	1.00
68_V	75_V	0.524	1.00
288_I	292_G	0.523	1.00
265_G	291_R	0.522	1.00
234_T	238_A	0.522	1.00
134_V	149_L	0.521	1.00
32_V	83_A	0.520	1.00
311_G	314_D	0.518	1.00
302_E	305_M	0.517	1.00
190_Q	215_A	0.516	1.00
340_A	343_V	0.515	1.00
133_R	136_D	0.515	1.00
161_A	293_G	0.515	1.00
6_Y	45_Y	0.513	1.00
159_H	192_L	0.512	1.00
201_G	220_S	0.511	1.00
50_D	53_A	0.508	1.00
206_R	339_E	0.505	1.00
186_V	190_Q	0.505	1.00
319_F	344_L	0.502	1.00
38_C	342_K	0.501	1.00
185_G	244_C	0.501	1.00
237_G	259_R	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
4cpdA	2	0.9712	100	0.14	Contact Map
4ej6A	1	0.9683	100	0.146	Contact Map
1f8fA	4	0.9712	100	0.148	Contact Map
3ukoA	4	0.9741	100	0.157	Contact Map
1e3iA	2	0.9683	100	0.158	Contact Map
2jhfA	2	0.9741	100	0.16	Contact Map
2dq4A	4	0.9597	100	0.161	Contact Map
1cdoA	2	0.9712	100	0.161	Contact Map
1vj0A	4	0.9741	100	0.162	Contact Map
1p0fA	2	0.9712	100	0.164	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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