Q9HP38 - HALSA - GREMLIN Contacts

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Q9HP38 - Alcohol dehydrogenase

UniProt:	Q9HP38	Sequences: MQAVTFDGHGGTGVIDYRTVPEPDLGADDVLVDVRAGALNHLDVWTRRGMPGIDLSMPHVPGSDAAGVVSAVGASVTRFEPGDRVAVLAGVSCGQCEFCRHGEPALCASFRVLGEHVPGVHSERAAVPADNLIAVPEHVDWETAAAAPLVFQTAWRMLNTRADVSPGESVLVLGASGGVGHAAVQIAAHAGAEVFATASTEQKLQYAAELGADHVVNYTETNFADEIRARTGKRGVDVVVDHVGEATWDDSLRSLAKGGRLVTCGATTGGRPETNVQRVFWNQLDILGSTMATPGEADAALEHVWDGTFDVRIRDVLPMRETARAHELLENREGFGKVVVKPDNELD	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	347 (306)
Sequences:	52830 (36065)
Seq/√Len:	2061.7

ECOLI - YBDR GATD YAHK YDJL ADHP RSPB FRMA YJJN YGGP AHR YPHC TDH YDJJ IDND QOR1 ACUI CURA YCJQ
BACSU - ADHB YJMD YOGA YYCR DHSO ADHA TDH BDHA YHFP YFMJ
HALSA - Q9HP38 Q9HMB6 Q9HR85 GLCDH Q9HQS8
SULSO - ADH Q7LXK1 Q97YT7 Q97XR4 Q97V32 Q97VV5 Q97VW0 Q97ZV3 Q97YM2 Q97WA1 GLCD2 GLCD1 Q97TZ4 GLCD3 Q97W06 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
321_E	324_R	2.930	1.00
35_R	141_W	2.835	1.00
33_D	70_S	2.773	1.00
35_R	68_V	2.704	1.00
7_D	18_R	2.701	1.00
31_L	70_S	2.612	1.00
30_V	132_L	2.568	1.00
188_A	213_D	2.510	1.00
169_S	193_E	2.507	1.00
140_D	143_T	2.492	1.00
84_R	135_V	2.374	1.00
83_D	134_A	2.367	1.00
317_L	328_L	2.350	1.00
80_E	83_D	2.336	1.00
205_Q	209_E	2.272	1.00
226_E	229_A	2.271	1.00
65_A	120_V	2.260	1.00
33_D	68_V	2.228	1.00
142_E	316_V	2.170	1.00
22_E	124_R	2.165	1.00
175_A	196_A	2.157	1.00
33_D	124_R	2.142	1.00
193_E	214_H	2.137	1.00
165_S	168_E	2.092	1.00
315_D	328_L	2.077	1.00
204_L	208_A	2.070	1.00
78_R	129_A	2.060	1.00
170_V	187_A	2.050	1.00
302_E	306_D	2.046	1.00
5_T	18_R	2.023	1.00
7_D	16_D	2.021	1.00
28_D	75_S	1.994	1.00
318_P	321_E	1.987	1.00
27_A	74_A	1.976	1.00
159_N	190_A	1.967	1.00
26_G	29_D	1.955	1.00
316_V	341_K	1.947	1.00
184_V	212_A	1.945	1.00
65_A	87_V	1.933	1.00
138_H	305_W	1.906	1.00
84_R	141_W	1.883	1.00
27_A	75_S	1.878	1.00
66_A	141_W	1.865	1.00
327_E	331_N	1.835	1.00
168_E	260_R	1.825	1.00
24_D	71_A	1.792	1.00
151_F	182_A	1.781	1.00
171_L	197_T	1.765	1.00
171_L	236_V	1.756	1.00
31_L	126_A	1.751	1.00
201_E	205_Q	1.741	1.00
205_Q	208_A	1.739	1.00
70_S	124_R	1.727	1.00
324_R	327_E	1.722	1.00
48_R	330_E	1.713	1.00
159_N	299_A	1.693	1.00
317_L	325_A	1.685	1.00
195_F	236_V	1.670	1.00
237_D	256_A	1.660	1.00
204_L	215_V	1.639	1.00
189_H	308_T	1.638	1.00
135_V	141_W	1.630	1.00
198_A	204_L	1.626	1.00
324_R	328_L	1.615	1.00
328_L	333_E	1.615	1.00
260_R	285_D	1.615	1.00
255_L	261_L	1.605	1.00
73_G	76_V	1.600	1.00
135_V	144_A	1.592	1.00
173_L	251_S	1.559	1.00
221_T	226_E	1.545	1.00
79_F	134_A	1.531	1.00
201_E	217_N	1.522	1.00
217_N	220_E	1.521	1.00
25_L	126_A	1.515	1.00
214_H	230_R	1.513	1.00
4_V	322_T	1.512	1.00
255_L	284_L	1.511	1.00
162_A	238_V	1.508	1.00
260_R	287_L	1.496	1.00
193_E	213_D	1.491	1.00
206_Y	209_E	1.490	1.00
222_N	225_D	1.487	1.00
29_D	128_P	1.487	1.00
142_E	341_K	1.484	1.00
72_V	81_P	1.482	1.00
201_E	220_E	1.464	1.00
71_A	81_P	1.447	1.00
31_L	124_R	1.445	1.00
79_F	83_D	1.436	1.00
121_H	326_H	1.431	1.00
84_R	137_E	1.428	1.00
34_V	65_A	1.423	1.00
255_L	259_G	1.404	1.00
199_S	218_Y	1.380	1.00
68_V	84_R	1.372	1.00
25_L	31_L	1.370	1.00
28_D	128_P	1.362	1.00
29_D	126_A	1.349	1.00
184_V	196_A	1.346	1.00
239_V	251_S	1.341	1.00
69_V	79_F	1.330	1.00
323_A	327_E	1.318	1.00
47_R	326_H	1.313	1.00
36_A	341_K	1.310	1.00
239_V	255_L	1.303	1.00
36_A	142_E	1.289	1.00
30_V	79_F	1.287	1.00
225_D	229_A	1.273	1.00
314_R	328_L	1.264	1.00
31_L	71_A	1.260	1.00
169_S	195_F	1.257	1.00
68_V	141_W	1.238	1.00
302_E	305_W	1.232	1.00
183_A	240_V	1.224	1.00
155_W	159_N	1.220	1.00
173_L	197_T	1.220	1.00
4_V	17_Y	1.201	1.00
3_A	20_V	1.192	1.00
164_V	192_A	1.182	1.00
189_H	303_H	1.178	1.00
79_F	132_L	1.163	1.00
204_L	217_N	1.161	1.00
22_E	31_L	1.151	1.00
35_R	84_R	1.146	1.00
169_S	237_D	1.137	1.00
208_A	215_V	1.130	1.00
25_L	29_D	1.104	1.00
196_A	212_A	1.093	1.00
28_D	129_A	1.080	1.00
299_A	302_E	1.073	1.00
32_V	67_G	1.072	1.00
34_V	125_A	1.072	1.00
70_S	81_P	1.071	1.00
127_V	132_L	1.070	1.00
185_Q	310_D	1.068	1.00
168_E	237_D	1.060	1.00
226_E	230_R	1.055	1.00
143_T	310_D	1.053	1.00
162_A	262_V	1.050	1.00
4_V	319_M	1.040	1.00
39_L	325_A	1.039	1.00
322_T	340_V	1.031	1.00
253_R	278_R	1.025	1.00
17_Y	320_R	1.022	1.00
47_R	330_E	1.014	1.00
201_E	204_L	1.008	1.00
154_A	186_I	1.007	1.00
222_N	226_E	1.006	1.00
208_A	214_H	1.006	1.00
303_H	308_T	1.005	1.00
32_V	85_V	1.004	1.00
199_S	219_T	1.002	1.00
206_Y	335_F	1.002	1.00
35_R	66_A	1.000	1.00
318_P	341_K	0.991	1.00
243_V	247_T	0.990	1.00
298_D	302_E	0.989	1.00
36_A	141_W	0.988	1.00
37_G	121_H	0.988	1.00
220_E	226_E	0.986	1.00
161_R	285_D	0.984	1.00
200_T	217_N	0.974	1.00
154_A	183_A	0.970	1.00
164_V	168_E	0.963	1.00
5_T	20_V	0.963	1.00
195_F	214_H	0.962	1.00
40_N	64_D	0.958	1.00
199_S	204_L	0.956	1.00
40_N	63_S	0.956	1.00
37_G	120_V	0.953	1.00
121_H	322_T	0.952	1.00
157_M	264_C	0.946	1.00
328_L	338_V	0.946	1.00
187_A	192_A	0.943	1.00
11_G	14_V	0.941	1.00
147_A	304_V	0.940	1.00
224_A	253_R	0.935	1.00
175_A	198_A	0.931	1.00
5_T	60_V	0.929	1.00
241_D	244_G	0.920	1.00
22_E	71_A	0.919	1.00
72_V	76_V	0.916	1.00
172_V	183_A	0.915	1.00
36_A	339_V	0.911	1.00
231_T	235_G	0.909	1.00
151_F	300_A	0.906	1.00
76_V	129_A	0.902	1.00
139_V	144_A	0.902	1.00
184_V	194_V	0.902	1.00
197_T	218_Y	0.888	1.00
3_A	60_V	0.888	1.00
249_D	253_R	0.887	1.00
186_I	300_A	0.886	1.00
327_E	330_E	0.886	1.00
44_V	329_L	0.883	1.00
33_D	123_E	0.883	1.00
159_N	296_E	0.879	1.00
80_E	134_A	0.877	1.00
173_L	239_V	0.876	1.00
172_V	187_A	0.874	1.00
59_H	118_P	0.866	1.00
155_W	299_A	0.866	1.00
28_D	73_G	0.866	1.00
4_V	15_I	0.865	1.00
227_I	236_V	0.863	1.00
198_A	215_V	0.862	1.00
38_A	64_D	0.862	1.00
224_A	250_D	0.861	1.00
175_A	207_A	0.860	1.00
181_H	206_Y	0.858	1.00
250_D	253_R	0.858	1.00
20_V	118_P	0.857	1.00
24_D	31_L	0.855	1.00
121_H	340_V	0.855	1.00
143_T	312_R	0.853	1.00
77_T	129_A	0.851	1.00
171_L	254_S	0.848	1.00
202_Q	205_Q	0.847	1.00
22_E	70_S	0.846	1.00
175_A	184_V	0.846	1.00
195_F	216_V	0.845	1.00
157_M	240_V	0.832	1.00
169_S	236_V	0.827	1.00
278_R	282_N	0.825	1.00
65_A	125_A	0.825	1.00
203_K	335_F	0.824	1.00
279_V	286_I	0.817	1.00
329_L	338_V	0.815	1.00
168_E	238_V	0.812	1.00
196_A	207_A	0.808	1.00
224_A	228_R	0.803	1.00
299_A	303_H	0.798	1.00
86_A	301_L	0.797	1.00
258_G	283_Q	0.797	1.00
7_D	14_V	0.795	1.00
26_G	126_A	0.795	1.00
161_R	287_L	0.791	1.00
28_D	74_A	0.788	1.00
39_L	329_L	0.783	1.00
158_L	187_A	0.782	1.00
207_A	212_A	0.780	1.00
137_E	305_W	0.775	1.00
225_D	228_R	0.767	1.00
40_N	43_D	0.766	1.00
154_A	179_V	0.765	1.00
156_R	296_E	0.764	1.00
200_T	203_K	0.762	1.00
154_A	182_A	0.759	1.00
223_F	250_D	0.758	1.00
25_L	71_A	0.755	1.00
186_I	303_H	0.753	1.00
275_N	278_R	0.753	1.00
317_L	321_E	0.753	1.00
159_N	186_I	0.752	1.00
157_M	183_A	0.751	1.00
4_V	323_A	0.750	1.00
170_V	192_A	0.745	1.00
195_F	227_I	0.742	1.00
239_V	261_L	0.739	1.00
39_L	121_H	0.739	1.00
87_V	127_V	0.738	1.00
251_S	261_L	0.737	1.00
169_S	234_R	0.737	1.00
222_N	250_D	0.735	1.00
17_Y	319_M	0.733	1.00
25_L	73_G	0.733	1.00
187_A	194_V	0.733	1.00
224_A	254_S	0.732	1.00
85_V	132_L	0.732	1.00
164_V	238_V	0.731	1.00
20_V	60_V	0.727	1.00
156_R	283_Q	0.725	1.00
303_H	306_D	0.724	1.00
190_A	299_A	0.724	1.00
139_V	304_V	0.722	1.00
64_D	149_L	0.721	1.00
42_L	63_S	0.720	1.00
72_V	80_E	0.717	1.00
173_L	247_T	0.716	1.00
279_V	284_L	0.716	1.00
194_V	213_D	0.715	1.00
195_F	230_R	0.713	1.00
317_L	340_V	0.713	1.00
40_N	149_L	0.710	1.00
328_L	331_N	0.709	1.00
133_I	298_D	0.708	1.00
163_D	260_R	0.704	1.00
303_H	307_G	0.703	1.00
136_P	305_W	0.701	1.00
246_A	250_D	0.701	1.00
172_V	196_A	0.700	1.00
242_H	264_C	0.698	1.00
236_V	239_V	0.697	1.00
30_V	129_A	0.697	1.00
279_V	288_G	0.696	1.00
6_F	14_V	0.695	1.00
315_D	324_R	0.691	1.00
154_A	158_L	0.690	1.00
297_A	301_L	0.686	1.00
84_R	138_H	0.685	1.00
198_A	207_A	0.685	1.00
334_G	338_V	0.684	1.00
313_I	316_V	0.682	1.00
86_A	135_V	0.682	1.00
238_V	262_V	0.672	1.00
66_A	145_A	0.671	1.00
301_L	305_W	0.669	1.00
163_D	287_L	0.668	1.00
315_D	338_V	0.667	1.00
133_I	297_A	0.667	1.00
155_W	300_A	0.666	1.00
317_L	338_V	0.666	1.00
13_G	327_E	0.665	1.00
263_T	286_I	0.664	1.00
227_I	254_S	0.661	1.00
234_R	256_A	0.661	1.00
204_L	207_A	0.657	1.00
248_W	261_L	0.653	1.00
192_A	238_V	0.652	1.00
78_R	134_A	0.651	1.00
63_S	149_L	0.651	1.00
209_E	310_D	0.650	1.00
150_V	178_G	0.647	1.00
30_V	69_V	0.646	1.00
66_A	135_V	0.644	1.00
231_T	234_R	0.642	1.00
41_H	45_W	0.641	1.00
133_I	301_L	0.640	1.00
40_N	150_V	0.640	1.00
149_L	153_T	0.638	1.00
32_V	87_V	0.638	1.00
120_V	125_A	0.636	1.00
153_T	179_V	0.636	1.00
155_W	303_H	0.634	1.00
228_R	231_T	0.634	1.00
23_P	126_A	0.633	1.00
257_K	282_N	0.631	1.00
83_D	137_E	0.631	1.00
198_A	218_Y	0.627	1.00
66_A	84_R	0.627	1.00
188_A	194_V	0.626	1.00
228_R	235_G	0.624	1.00
28_D	130_D	0.622	1.00
241_D	261_L	0.621	1.00
36_A	66_A	0.621	1.00
78_R	81_P	0.619	1.00
185_Q	210_L	0.619	1.00
206_Y	210_L	0.618	1.00
326_H	330_E	0.616	1.00
184_V	210_L	0.615	1.00
36_A	316_V	0.613	1.00
35_R	341_K	0.613	1.00
42_L	46_T	0.612	1.00
186_I	190_A	0.612	1.00
163_D	285_D	0.607	1.00
236_V	254_S	0.605	1.00
204_L	218_Y	0.604	1.00
249_D	278_R	0.604	1.00
295_G	299_A	0.598	1.00
86_A	148_P	0.597	1.00
34_V	37_G	0.597	1.00
238_V	260_R	0.596	1.00
197_T	216_V	0.595	1.00
162_A	260_R	0.595	1.00
170_V	238_V	0.594	1.00
181_H	312_R	0.593	1.00
153_T	264_C	0.589	1.00
21_P	24_D	0.588	1.00
198_A	217_N	0.588	1.00
23_P	31_L	0.587	1.00
45_W	50_M	0.586	1.00
295_G	298_D	0.586	1.00
206_Y	312_R	0.586	1.00
247_T	251_S	0.583	1.00
25_L	75_S	0.583	1.00
88_L	133_I	0.583	1.00
183_A	264_C	0.582	1.00
239_V	254_S	0.582	1.00
214_H	226_E	0.581	1.00
23_P	124_R	0.581	1.00
129_A	132_L	0.581	1.00
223_F	227_I	0.577	1.00
87_V	132_L	0.576	1.00
249_D	271_R	0.571	1.00
150_V	182_A	0.566	1.00
41_H	177_G	0.566	1.00
241_D	265_G	0.566	1.00
157_M	289_S	0.562	1.00
77_T	80_E	0.561	1.00
44_V	330_E	0.560	1.00
146_A	311_V	0.559	1.00
304_V	311_V	0.558	1.00
146_A	339_V	0.558	1.00
22_E	126_A	0.558	1.00
42_L	45_W	0.557	1.00
64_D	337_K	0.557	1.00
32_V	132_L	0.556	1.00
198_A	203_K	0.555	1.00
169_S	231_T	0.554	1.00
79_F	129_A	0.554	1.00
216_V	221_T	0.553	1.00
171_L	239_V	0.553	1.00
159_N	162_A	0.551	1.00
304_V	309_F	0.551	1.00
283_Q	293_T	0.550	1.00
40_N	337_K	0.549	1.00
158_L	186_I	0.549	1.00
22_E	25_L	0.547	1.00
62_G	121_H	0.547	1.00
55_L	59_H	0.544	1.00
72_V	83_D	0.543	1.00
212_A	215_V	0.543	1.00
25_L	28_D	0.542	1.00
12_T	327_E	0.542	1.00
328_L	334_G	0.542	1.00
66_A	144_A	0.539	1.00
46_T	51_P	0.537	1.00
184_V	207_A	0.534	1.00
166_P	191_G	0.534	1.00
246_A	249_D	0.534	1.00
166_P	190_A	0.531	1.00
140_D	316_V	0.530	1.00
152_Q	296_E	0.528	1.00
23_P	29_D	0.526	1.00
34_V	87_V	0.525	1.00
182_A	186_I	0.525	1.00
307_G	310_D	0.525	1.00
140_D	144_A	0.524	1.00
249_D	273_E	0.524	1.00
167_G	192_A	0.524	1.00
37_G	340_V	0.521	1.00
15_I	326_H	0.521	1.00
32_V	65_A	0.519	1.00
14_V	47_R	0.519	1.00
207_A	215_V	0.516	1.00
262_V	289_S	0.516	1.00
155_W	190_A	0.515	1.00
44_V	48_R	0.515	1.00
216_V	230_R	0.513	1.00
188_A	212_A	0.513	1.00
208_A	212_A	0.513	1.00
56_S	59_H	0.512	1.00
29_D	117_V	0.511	1.00
271_R	275_N	0.511	1.00
60_V	119_G	0.510	1.00
216_V	226_E	0.510	1.00
87_V	120_V	0.510	1.00
181_H	210_L	0.510	1.00
216_V	223_F	0.509	1.00
173_L	223_F	0.509	1.00
17_Y	322_T	0.509	1.00
54_D	57_M	0.505	1.00
135_V	139_V	0.504	1.00
199_S	217_N	0.504	1.00
14_V	323_A	0.503	1.00
30_V	76_V	0.502	1.00
182_A	185_Q	0.502	1.00
317_L	324_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
4gi2A	2	1	100	0.144	Contact Map
2eihA	4	0.9885	100	0.144	Contact Map
1rjwA	4	0.9741	100	0.156	Contact Map
1h2bA	4	0.9654	100	0.159	Contact Map
4gkvA	4	0.9625	100	0.165	Contact Map
3jv7A	4	0.9654	100	0.165	Contact Map
3ip1A	4	0.9798	100	0.165	Contact Map
1vj0A	4	0.9712	100	0.168	Contact Map
4oh1A	4	0.9625	100	0.171	Contact Map
2dq4A	4	0.9654	100	0.172	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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