ADHP - ECOLI - GREMLIN Contacts

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ADHP - Alcohol dehydrogenase, propanol-preferring

UniProt:	P39451	Sequences: MKAAVVTKDHHVDVTYKTLRSLKHGEALLKMECCGVCHTDLHVKNGDFGDKTGVILGHEGIGVVAEVGPGVTSLKPGDRASVAWFYEGCGHCEYCNSGNETLCRSVKNAGYSVDGGMAEECIVVADYAVKVPDGLDSAAASSITCAGVTTYKAVKLSKIRPGQWIAIYGLGGLGNLALQYAKNVFNAKVIAIDVNDEQLKLATEMGADLAINSHTEDAAKIVQEKTGGAHAAVVTAVAKAAFNSAVDAVRAGGRVVAVGLPPESMSLDIPRLVLDGIEVVGSLVGTRQDLTEAFQFAAEGKVVPKVALRPLADINTIFTEMEEGKIRGRMVIDFRH	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG12622
Length:	336 (300)
Sequences:	52882 (36830)
Seq/√Len:	2126.4

ECOLI - ADHP YBDR AHR RSPB YAHK GATD YDJL YPHC TDH YDJJ YGGP YJJN FRMA IDND YCJQ QOR1 ACUI CURA
BACSU - ADHA YJMD ADHB YYCR DHSO BDHA YOGA TDH YHFP YFMJ
HALSA - Q9HP38 Q9HMB6 GLCDH Q9HQS8 Q9HR85
SULSO - Q97YT7 ADH Q7LXK1 Q97XR4 Q97ZV3 Q97VW0 Q97VV5 Q97WA1 Q97V32 Q97YM2 Q97TZ4 GLCD2 GLCD1 GLCD3 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
32_E	137_S	2.980	1.00
30_K	65_A	2.929	1.00
32_E	63_V	2.855	1.00
313_D	316_T	2.853	1.00
28_L	65_A	2.623	1.00
7_T	15_T	2.550	1.00
164_W	188_K	2.548	1.00
75_K	78_D	2.442	1.00
136_D	139_A	2.420	1.00
27_A	128_A	2.417	1.00
79_R	131_V	2.393	1.00
309_R	320_E	2.371	1.00
78_D	130_K	2.362	1.00
170_L	191_A	2.311	1.00
182_K	208_D	2.284	1.00
19_L	120_E	2.270	1.00
307_A	320_E	2.222	1.00
30_K	63_V	2.220	1.00
138_A	308_L	2.215	1.00
221_I	224_E	2.177	1.00
200_K	204_E	2.176	1.00
7_T	13_D	2.173	1.00
30_K	120_E	2.165	1.00
165_I	181_A	2.139	1.00
188_K	209_L	2.077	1.00
199_L	203_T	2.069	1.00
160_R	163_Q	2.049	1.00
23_K	26_E	2.039	1.00
5_V	15_T	2.034	1.00
73_S	125_A	2.032	1.00
24_H	69_P	2.016	1.00
295_Q	299_E	2.014	1.00
60_G	116_G	2.012	1.00
60_G	82_V	2.007	1.00
24_H	70_G	1.996	1.00
134_G	298_A	1.979	1.00
310_P	313_D	1.961	1.00
178_L	207_A	1.940	1.00
28_L	122_I	1.911	1.00
319_T	323_E	1.907	1.00
45_N	322_E	1.878	1.00
65_A	120_E	1.862	1.00
79_R	137_S	1.824	1.00
61_I	137_S	1.824	1.00
25_G	70_G	1.816	1.00
199_L	210_A	1.802	1.00
183_N	301_K	1.792	1.00
200_K	203_T	1.756	1.00
166_A	192_I	1.744	1.00
254_R	278_E	1.726	1.00
320_E	325_K	1.722	1.00
166_A	229_A	1.697	1.00
316_T	319_T	1.689	1.00
230_H	250_R	1.680	1.00
131_V	137_S	1.674	1.00
21_S	66_E	1.670	1.00
316_T	320_E	1.638	1.00
190_I	229_A	1.626	1.00
254_R	280_V	1.624	1.00
147_G	176_L	1.623	1.00
196_D	200_K	1.604	1.00
193_D	199_L	1.602	1.00
309_R	317_I	1.595	1.00
131_V	140_A	1.592	1.00
201_L	204_E	1.571	1.00
196_D	215_T	1.567	1.00
209_L	225_K	1.552	1.00
168_Y	245_A	1.541	1.00
188_K	208_D	1.541	1.00
28_L	120_E	1.534	1.00
4_A	314_I	1.514	1.00
163_Q	254_R	1.488	1.00
66_E	76_P	1.487	1.00
67_V	76_P	1.486	1.00
63_V	79_R	1.479	1.00
157_S	231_A	1.475	1.00
249_V	277_I	1.474	1.00
196_D	212_N	1.473	1.00
74_L	130_K	1.472	1.00
68_G	71_V	1.452	1.00
74_L	78_D	1.450	1.00
22_L	122_I	1.449	1.00
315_N	319_T	1.445	1.00
249_V	255_V	1.438	1.00
25_G	124_V	1.438	1.00
31_M	60_G	1.438	1.00
117_M	318_F	1.428	1.00
216_E	221_I	1.426	1.00
26_E	124_V	1.418	1.00
232_A	249_V	1.407	1.00
249_V	253_G	1.400	1.00
28_L	66_E	1.397	1.00
26_E	122_I	1.385	1.00
22_L	28_L	1.368	1.00
232_A	245_A	1.359	1.00
33_C	138_A	1.353	1.00
212_N	215_T	1.345	1.00
217_D	220_K	1.344	1.00
79_R	133_D	1.334	1.00
295_Q	298_A	1.304	1.00
64_V	74_L	1.302	1.00
164_W	190_I	1.302	1.00
183_N	296_F	1.300	1.00
27_A	74_L	1.291	1.00
168_Y	192_I	1.290	1.00
63_V	137_S	1.283	1.00
194_V	213_S	1.264	1.00
177_A	233_V	1.262	1.00
178_L	191_A	1.261	1.00
44_K	318_F	1.258	1.00
196_D	199_L	1.234	1.00
32_E	79_R	1.223	1.00
4_A	14_V	1.200	1.00
220_K	224_E	1.198	1.00
155_K	289_D	1.198	1.00
143_I	297_A	1.185	1.00
19_L	28_L	1.176	1.00
31_M	121_C	1.170	1.00
8_K	11_H	1.169	1.00
203_T	210_A	1.164	1.00
74_L	128_A	1.162	1.00
221_I	225_K	1.150	1.00
199_L	212_N	1.148	1.00
25_G	125_A	1.128	1.00
155_K	292_E	1.123	1.00
164_W	230_H	1.120	1.00
287_R	291_T	1.116	1.00
179_Q	303_V	1.116	1.00
163_Q	230_H	1.114	1.00
201_L	327_R	1.112	1.00
247_D	271_R	1.090	1.00
292_E	295_Q	1.085	1.00
123_V	128_A	1.083	1.00
152_K	289_D	1.081	1.00
217_D	221_I	1.074	1.00
296_F	301_K	1.074	1.00
186_N	189_V	1.060	1.00
219_A	247_D	1.055	1.00
5_V	17_K	1.044	1.00
36_V	317_I	1.036	1.00
14_V	312_A	1.031	1.00
135_L	140_A	1.030	1.00
203_T	209_L	1.027	1.00
44_K	322_E	1.027	1.00
34_C	117_M	1.022	1.00
150_T	177_A	1.018	1.00
29_L	62_G	1.015	1.00
139_A	303_V	1.014	1.00
157_S	256_V	1.011	1.00
65_A	76_P	1.008	1.00
236_A	241_A	1.008	1.00
29_L	80_A	1.003	1.00
291_T	295_Q	1.002	1.00
4_A	311_L	0.995	1.00
219_A	244_S	0.990	1.00
244_S	247_D	0.988	1.00
156_L	278_E	0.988	1.00
314_I	332_I	0.987	1.00
215_T	221_I	0.987	1.00
33_C	137_S	0.981	1.00
319_T	322_E	0.969	1.00
194_V	214_H	0.956	1.00
22_L	26_E	0.952	1.00
159_I	187_A	0.952	1.00
139_A	305_K	0.952	1.00
320_E	330_M	0.950	1.00
190_I	209_L	0.949	1.00
71_V	125_A	0.943	1.00
243_N	247_D	0.942	1.00
170_L	193_D	0.941	1.00
159_I	163_Q	0.939	1.00
271_R	275_D	0.939	1.00
153_A	258_V	0.938	1.00
151_Y	292_E	0.935	1.00
117_M	314_I	0.935	1.00
191_A	207_A	0.928	1.00
219_A	223_Q	0.925	1.00
37_C	59_E	0.924	1.00
72_T	125_A	0.921	1.00
7_T	11_H	0.917	1.00
54_V	114_D	0.916	1.00
41_L	321_M	0.912	1.00
178_L	189_V	0.910	1.00
32_E	61_I	0.910	1.00
150_T	180_Y	0.907	1.00
234_V	237_V	0.904	1.00
166_A	248_A	0.903	1.00
153_A	233_V	0.902	1.00
192_I	213_S	0.901	1.00
163_Q	231_A	0.898	1.00
175_N	201_L	0.888	1.00
19_L	66_E	0.887	1.00
309_R	313_D	0.884	1.00
37_C	58_H	0.878	1.00
81_S	294_F	0.878	1.00
191_A	202_A	0.877	1.00
170_L	202_A	0.875	1.00
30_K	119_E	0.874	1.00
195_N	198_Q	0.873	1.00
34_C	116_G	0.872	1.00
292_E	296_F	0.869	1.00
167_I	177_A	0.864	1.00
33_C	331_V	0.862	1.00
193_D	210_A	0.861	1.00
194_V	199_L	0.861	1.00
170_L	178_L	0.860	1.00
168_Y	232_A	0.858	1.00
222_V	229_A	0.857	1.00
197_E	200_K	0.856	1.00
60_G	121_C	0.848	1.00
67_V	71_V	0.846	1.00
5_V	55_I	0.840	1.00
180_Y	293_A	0.840	1.00
167_I	181_A	0.838	1.00
288_Q	292_E	0.835	1.00
19_L	65_A	0.835	1.00
25_G	68_G	0.833	1.00
198_Q	327_R	0.832	1.00
148_V	289_D	0.831	1.00
4_A	12_V	0.828	1.00
240_A	244_S	0.828	1.00
190_I	211_I	0.827	1.00
156_L	280_V	0.823	1.00
67_V	75_K	0.822	1.00
23_K	122_I	0.821	1.00
252_G	276_G	0.821	1.00
17_K	114_D	0.819	1.00
35_G	59_E	0.816	1.00
117_M	332_I	0.815	1.00
158_K	254_R	0.815	1.00
272_L	279_V	0.804	1.00
75_K	130_K	0.803	1.00
288_Q	291_T	0.802	1.00
21_S	28_L	0.798	1.00
220_K	223_Q	0.796	1.00
164_W	229_A	0.790	1.00
133_D	298_A	0.788	1.00
218_A	244_S	0.780	1.00
168_Y	241_A	0.777	1.00
245_A	255_V	0.777	1.00
326_I	330_M	0.775	1.00
180_Y	296_F	0.773	1.00
202_A	207_A	0.771	1.00
129_V	291_T	0.768	1.00
36_V	321_M	0.768	1.00
150_T	176_L	0.765	1.00
162_G	187_A	0.763	1.00
14_V	311_L	0.761	1.00
232_A	255_V	0.757	1.00
116_G	121_C	0.754	1.00
190_I	222_V	0.754	1.00
39_T	58_H	0.749	1.00
307_A	316_T	0.749	1.00
81_S	131_V	0.748	1.00
37_C	40_D	0.747	1.00
307_A	330_M	0.746	1.00
217_D	244_S	0.745	1.00
82_V	123_V	0.743	1.00
235_T	258_V	0.742	1.00
219_A	248_A	0.739	1.00
296_F	299_E	0.737	1.00
268_D	271_R	0.736	1.00
132_P	298_A	0.732	1.00
61_I	141_S	0.730	1.00
27_A	125_A	0.729	1.00
320_E	323_E	0.728	1.00
272_L	281_G	0.726	1.00
195_N	212_N	0.724	1.00
153_A	177_A	0.723	1.00
154_V	181_A	0.722	1.00
80_A	128_A	0.720	1.00
321_M	330_M	0.720	1.00
181_A	189_V	0.717	1.00
257_A	279_V	0.714	1.00
22_L	66_E	0.714	1.00
17_K	55_I	0.709	1.00
129_V	290_L	0.706	1.00
309_R	330_M	0.705	1.00
152_K	276_G	0.705	1.00
167_I	191_A	0.705	1.00
158_K	278_E	0.702	1.00
135_L	297_A	0.701	1.00
296_F	300_G	0.700	1.00
33_C	308_L	0.697	1.00
159_I	231_A	0.697	1.00
158_K	280_V	0.691	1.00
151_Y	293_A	0.683	1.00
147_G	293_A	0.682	1.00
193_D	202_A	0.679	1.00
73_S	287_R	0.677	1.00
25_G	126_D	0.676	1.00
150_T	154_V	0.675	1.00
22_L	68_G	0.675	1.00
150_T	173_L	0.670	1.00
25_G	69_P	0.668	1.00
190_I	225_K	0.668	1.00
231_A	256_V	0.667	1.00
20_R	122_I	0.664	1.00
81_S	144_T	0.664	1.00
151_Y	296_F	0.663	1.00
294_F	298_A	0.660	1.00
181_A	187_A	0.660	1.00
201_L	305_K	0.659	1.00
229_A	232_A	0.659	1.00
201_L	205_M	0.657	1.00
243_N	271_R	0.657	1.00
159_I	186_N	0.657	1.00
242_F	255_V	0.657	1.00
41_L	322_E	0.655	1.00
175_N	305_K	0.654	1.00
31_M	34_C	0.653	1.00
9_D	319_T	0.653	1.00
33_C	61_I	0.649	1.00
264_S	268_D	0.649	1.00
189_V	208_D	0.646	1.00
151_Y	289_D	0.646	1.00
251_A	275_D	0.644	1.00
238_A	241_A	0.644	1.00
144_T	147_G	0.642	1.00
179_Q	205_M	0.639	1.00
4_A	315_N	0.638	1.00
234_V	255_V	0.637	1.00
10_H	319_T	0.637	1.00
58_H	145_C	0.637	1.00
61_I	131_V	0.636	1.00
272_L	277_I	0.635	1.00
222_V	248_A	0.634	1.00
27_A	64_V	0.634	1.00
223_Q	228_G	0.631	1.00
199_L	202_A	0.630	1.00
39_T	43_V	0.630	1.00
146_A	176_L	0.628	1.00
6_V	11_H	0.627	1.00
53_G	57_G	0.626	1.00
271_R	274_L	0.624	1.00
204_E	303_V	0.624	1.00
309_R	332_I	0.622	1.00
37_C	145_C	0.620	1.00
143_I	293_A	0.620	1.00
36_V	117_M	0.617	1.00
79_R	134_G	0.617	1.00
129_V	294_F	0.616	1.00
145_C	149_T	0.616	1.00
209_L	221_I	0.615	1.00
229_A	248_A	0.615	1.00
193_D	213_S	0.615	1.00
157_S	254_R	0.614	1.00
61_I	79_R	0.612	1.00
223_Q	226_T	0.611	1.00
78_D	133_D	0.608	1.00
178_L	205_M	0.607	1.00
276_G	286_T	0.604	1.00
142_S	331_V	0.603	1.00
29_L	82_V	0.601	1.00
187_A	231_A	0.600	1.00
8_K	13_D	0.599	1.00
320_E	326_I	0.599	1.00
73_S	76_P	0.597	1.00
165_I	187_A	0.596	1.00
177_A	258_V	0.596	1.00
83_A	129_V	0.596	1.00
164_W	187_A	0.595	1.00
231_A	254_R	0.593	1.00
164_W	226_T	0.593	1.00
82_V	128_A	0.590	1.00
155_K	158_K	0.589	1.00
181_A	186_N	0.588	1.00
42_H	47_D	0.586	1.00
37_C	146_A	0.585	1.00
51_K	54_V	0.583	1.00
318_F	322_E	0.583	1.00
74_L	125_A	0.582	1.00
240_A	243_N	0.580	1.00
57_G	117_M	0.580	1.00
202_A	210_A	0.579	1.00
38_H	42_H	0.578	1.00
39_T	42_H	0.576	1.00
162_G	186_N	0.576	1.00
161_P	185_F	0.574	1.00
125_A	128_A	0.573	1.00
265_M	269_I	0.570	1.00
265_M	268_D	0.568	1.00
241_A	245_A	0.568	1.00
192_I	211_I	0.566	1.00
232_A	248_A	0.564	1.00
165_I	231_A	0.563	1.00
41_L	45_N	0.563	1.00
61_I	140_A	0.563	1.00
193_D	212_N	0.562	1.00
211_I	225_K	0.561	1.00
182_K	185_F	0.561	1.00
211_I	221_I	0.561	1.00
34_C	332_I	0.560	1.00
185_F	292_E	0.559	1.00
43_V	48_F	0.558	1.00
142_S	304_P	0.558	1.00
20_R	120_E	0.557	1.00
243_N	266_S	0.556	1.00
185_F	189_V	0.556	1.00
129_V	287_R	0.556	1.00
166_A	232_A	0.555	1.00
73_S	130_K	0.555	1.00
72_T	75_K	0.554	1.00
178_L	202_A	0.553	1.00
153_A	282_S	0.553	1.00
218_A	222_V	0.549	1.00
289_D	292_E	0.549	1.00
155_K	288_Q	0.548	1.00
18_T	21_S	0.547	1.00
20_R	26_E	0.546	1.00
146_A	329_R	0.544	1.00
124_V	127_Y	0.542	1.00
297_A	304_P	0.542	1.00
67_V	78_D	0.542	1.00
193_D	198_Q	0.541	1.00
271_R	277_I	0.541	1.00
176_L	180_Y	0.539	1.00
182_K	189_V	0.538	1.00
234_V	259_G	0.535	1.00
164_W	209_L	0.535	1.00
38_H	171_G	0.535	1.00
175_N	205_M	0.534	1.00
153_A	256_V	0.530	1.00
36_V	332_I	0.527	1.00
31_M	82_V	0.526	1.00
37_C	329_R	0.526	1.00
152_K	156_L	0.525	1.00
165_I	186_N	0.522	1.00
12_V	318_F	0.522	1.00
136_D	308_L	0.521	1.00
277_I	281_G	0.521	1.00
59_E	329_R	0.521	1.00
199_L	213_S	0.521	1.00
243_N	268_D	0.519	1.00
290_L	294_F	0.518	1.00
59_E	145_C	0.517	1.00
11_H	315_N	0.516	1.00
176_L	302_V	0.516	1.00
154_V	180_Y	0.515	1.00
19_L	122_I	0.514	1.00
29_L	128_A	0.514	1.00
300_G	303_V	0.512	1.00
149_T	173_L	0.511	1.00
167_I	178_L	0.508	1.00
146_A	172_G	0.506	1.00
179_Q	302_V	0.504	1.00
26_E	113_V	0.502	1.00
20_R	28_L	0.501	1.00
241_A	244_S	0.501	1.00
55_I	115_G	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
4gkvA	4	1	100	0.109	Contact Map
1rjwA	4	0.994	100	0.136	Contact Map
1h2bA	4	0.9851	100	0.142	Contact Map
3jv7A	4	0.9821	100	0.147	Contact Map
4ilkA	2	0.9821	100	0.151	Contact Map
4eezA	4	0.994	100	0.152	Contact Map
3s2eA	5	0.994	100	0.157	Contact Map
4oaqA	2	0.9881	100	0.158	Contact Map
2h6eA	4	0.9196	100	0.158	Contact Map
4ej6A	1	0.9821	100	0.16	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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