ADHA - BACSU - GREMLIN Contacts

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ADHA - Probable formaldehyde dehydrogenase AdhA

UniProt:	C0SPA5	Sequences: MCNQHQTRVLSVSHAKAKFEQTTIERRGLRPHDVLIDIKFSGICHSDIHSAFDEWGGGIFPMVPGHEIAGVVTAVGTKVTKLAVGDRVGVGCFVDSCGECEYCLNAEEQFCTKGVVQTYNSVDYDGNPTYGGYSQKIVVTDRFVVRIPDRLEMDVASPLLCAGITTYSPLKHWNVGPGKKVAIVGVGGLGHLAIQFAHAMGAEVTVLSRSMNKKEEALELGANHYFATSDPATFTALAGRFDVILNTVSANLDVDAYLSMLRIDGTLVSVGAPAKPDTYSVFSLIMGRRSIAGSLVGGIQETQEMLDFAAEHGIEPKIEVIGADQVDEAYERILRSDVRYRFVIDISTL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	349 (301)
Sequences:	52678 (36123)
Seq/√Len:	2082.1

ECOLI - YAHK AHR YBDR ADHP RSPB FRMA YPHC YDJL TDH GATD YJJN YDJJ YGGP IDND ACUI QOR1 YCJQ CURA
BACSU - ADHA ADHB DHSO TDH YJMD YOGA YYCR BDHA YHFP YFMJ
HALSA - Q9HP38 Q9HMB6 Q9HR85 GLCDH Q9HQS8
SULSO - Q7LXK1 Q97ZV3 Q97YT7 ADH Q97XR4 Q97VW0 Q97VV5 Q97WA1 Q97YM2 Q97V32 GLCD1 Q97TZ4 GLCD2 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
39_K	153_M	3.074	1.00
37_D	73_T	2.981	1.00
39_K	71_V	2.913	1.00
325_Q	328_E	2.875	1.00
35_L	73_T	2.612	1.00
83_A	86_D	2.521	1.00
152_E	155_V	2.419	1.00
34_V	144_V	2.415	1.00
180_K	203_E	2.401	1.00
154_D	320_V	2.392	1.00
86_D	146_R	2.390	1.00
26_R	136_K	2.352	1.00
321_I	332_R	2.336	1.00
87_R	147_I	2.314	1.00
186_V	206_V	2.305	1.00
319_E	332_R	2.302	1.00
198_H	223_N	2.293	1.00
176_G	179_K	2.275	1.00
320_V	345_D	2.243	1.00
37_D	71_V	2.227	1.00
215_E	219_E	2.216	1.00
37_D	136_K	2.200	1.00
181_V	197_A	2.187	1.00
31_P	77_T	2.130	1.00
214_K	218_L	2.128	1.00
81_K	141_D	2.121	1.00
30_R	33_D	2.089	1.00
31_P	78_K	2.087	1.00
150_R	310_A	2.073	1.00
322_G	325_Q	2.021	1.00
68_I	90_V	2.019	1.00
13_S	22_T	2.017	1.00
307_D	311_E	2.006	1.00
235_T	238_A	2.002	1.00
73_T	136_K	1.953	1.00
35_L	138_V	1.945	1.00
194_I	222_A	1.943	1.00
68_I	132_G	1.939	1.00
52_F	334_L	1.937	1.00
331_E	335_R	1.927	1.00
32_H	78_K	1.914	1.00
199_A	313_G	1.895	1.00
69_A	153_M	1.838	1.00
87_R	153_M	1.826	1.00
215_E	218_L	1.794	1.00
266_T	290_S	1.778	1.00
242_D	262_R	1.754	1.00
182_A	207_L	1.751	1.00
163_G	192_L	1.749	1.00
332_R	337_D	1.724	1.00
182_A	241_F	1.713	1.00
214_K	225_Y	1.701	1.00
328_E	331_E	1.690	1.00
147_I	153_M	1.687	1.00
28_G	74_A	1.684	1.00
266_T	292_A	1.682	1.00
205_T	241_F	1.680	1.00
328_E	332_R	1.665	1.00
211_M	215_E	1.654	1.00
216_E	219_E	1.642	1.00
13_S	20_E	1.626	1.00
321_I	329_A	1.605	1.00
147_I	156_A	1.588	1.00
35_L	136_K	1.583	1.00
74_A	84_V	1.570	1.00
154_D	345_D	1.563	1.00
71_V	87_R	1.537	1.00
75_V	84_V	1.533	1.00
11_S	22_T	1.532	1.00
208_S	214_K	1.525	1.00
184_V	257_Y	1.518	1.00
82_L	86_D	1.518	1.00
82_L	146_R	1.507	1.00
173_W	243_V	1.495	1.00
261_L	267_L	1.492	1.00
327_D	331_E	1.487	1.00
211_M	227_A	1.486	1.00
33_D	140_T	1.485	1.00
261_L	289_R	1.485	1.00
32_H	140_T	1.477	1.00
227_A	230_D	1.476	1.00
244_I	261_L	1.472	1.00
35_L	74_A	1.451	1.00
38_I	68_I	1.445	1.00
211_M	230_D	1.436	1.00
33_D	138_V	1.431	1.00
179_K	266_T	1.422	1.00
203_E	224_H	1.413	1.00
76_G	79_V	1.413	1.00
261_L	265_G	1.408	1.00
29_L	138_V	1.401	1.00
29_L	35_L	1.393	1.00
133_Y	330_Y	1.392	1.00
233_T	236_A	1.375	1.00
244_I	257_Y	1.365	1.00
40_F	154_D	1.360	1.00
14_H	20_E	1.351	1.00
203_E	223_N	1.349	1.00
87_R	149_D	1.348	1.00
199_A	308_F	1.347	1.00
307_D	310_A	1.340	1.00
34_V	82_L	1.339	1.00
71_V	153_M	1.323	1.00
180_K	205_T	1.318	1.00
72_V	82_L	1.301	1.00
211_M	214_K	1.296	1.00
15_A	18_K	1.262	1.00
40_F	345_D	1.262	1.00
209_R	228_T	1.255	1.00
171_K	301_E	1.255	1.00
193_A	245_L	1.248	1.00
39_K	87_R	1.243	1.00
184_V	207_L	1.226	1.00
38_I	137_I	1.224	1.00
26_R	35_L	1.214	1.00
14_H	18_K	1.211	1.00
82_L	144_V	1.210	1.00
194_I	206_V	1.208	1.00
159_L	309_A	1.190	1.00
218_L	225_Y	1.183	1.00
180_K	242_D	1.178	1.00
32_H	141_D	1.170	1.00
51_A	330_Y	1.161	1.00
171_K	304_E	1.159	1.00
259_S	283_S	1.147	1.00
216_E	339_R	1.143	1.00
308_F	313_G	1.141	1.00
214_K	227_A	1.139	1.00
195_Q	315_E	1.114	1.00
322_G	345_D	1.113	1.00
304_E	307_D	1.113	1.00
175_V	202_A	1.097	1.00
139_V	144_V	1.095	1.00
179_K	242_D	1.085	1.00
326_V	344_I	1.084	1.00
36_I	88_V	1.078	1.00
21_Q	324_D	1.060	1.00
218_L	224_H	1.053	1.00
234_F	238_A	1.052	1.00
205_T	224_H	1.050	1.00
155_V	315_E	1.048	1.00
36_I	70_G	1.043	1.00
234_F	237_L	1.042	1.00
168_S	301_E	1.035	1.00
43_I	329_A	1.030	1.00
303_Q	307_D	1.027	1.00
73_T	84_V	1.027	1.00
256_A	259_S	1.027	1.00
41_S	133_Y	1.023	1.00
173_W	268_V	1.017	1.00
166_T	193_A	1.017	1.00
40_F	153_M	1.013	1.00
172_H	290_S	1.009	1.00
224_H	237_L	1.007	1.00
10_L	21_Q	1.004	1.00
197_A	202_A	1.003	1.00
51_A	334_L	1.002	1.00
175_V	179_K	1.001	1.00
79_V	141_D	0.999	1.00
331_E	334_L	0.999	1.00
332_R	342_F	0.997	1.00
248_V	253_D	0.984	1.00
29_L	33_D	0.978	1.00
167_Y	304_E	0.976	1.00
155_V	317_K	0.968	1.00
80_T	141_D	0.960	1.00
255_D	259_S	0.946	1.00
169_P	270_V	0.941	1.00
304_E	308_F	0.932	1.00
133_Y	326_V	0.930	1.00
169_P	245_L	0.930	1.00
163_G	305_M	0.928	1.00
194_I	204_V	0.928	1.00
191_H	216_E	0.925	1.00
62_M	130_Y	0.922	1.00
206_V	217_A	0.920	1.00
232_A	235_T	0.918	1.00
48_I	333_I	0.917	1.00
39_K	69_A	0.917	1.00
14_H	17_A	0.914	1.00
10_L	326_V	0.914	1.00
151_L	156_A	0.913	1.00
283_S	287_G	0.907	1.00
209_R	229_S	0.907	1.00
205_T	226_F	0.906	1.00
186_V	208_S	0.902	1.00
166_T	196_F	0.901	1.00
210_S	213_K	0.900	1.00
186_V	217_A	0.899	1.00
212_N	215_E	0.897	1.00
321_I	325_Q	0.893	1.00
89_G	306_L	0.891	1.00
206_V	222_A	0.891	1.00
179_K	243_V	0.888	1.00
40_F	343_V	0.888	1.00
182_A	260_M	0.887	1.00
213_K	339_R	0.887	1.00
207_L	228_T	0.886	1.00
75_V	83_A	0.883	1.00
232_A	236_A	0.879	1.00
186_V	194_I	0.878	1.00
172_H	292_A	0.872	1.00
183_I	197_A	0.870	1.00
10_L	13_S	0.869	1.00
41_S	132_G	0.860	1.00
75_V	79_V	0.857	1.00
246_N	249_S	0.855	1.00
26_R	74_A	0.855	1.00
264_D	288_R	0.854	1.00
184_V	244_I	0.851	1.00
37_D	135_Q	0.849	1.00
164_I	301_E	0.849	1.00
183_I	193_A	0.848	1.00
26_R	73_T	0.840	1.00
83_A	146_R	0.840	1.00
44_C	67_E	0.833	1.00
300_Q	304_E	0.829	1.00
196_F	305_M	0.827	1.00
209_R	214_K	0.822	1.00
68_I	137_I	0.817	1.00
174_N	266_T	0.815	1.00
184_V	253_D	0.813	1.00
197_A	204_V	0.812	1.00
181_V	202_A	0.809	1.00
28_G	35_L	0.806	1.00
300_Q	303_Q	0.806	1.00
338_V	342_F	0.805	1.00
180_K	241_F	0.804	1.00
145_V	303_Q	0.803	1.00
42_G	67_E	0.796	1.00
244_I	267_L	0.796	1.00
284_L	291_I	0.794	1.00
24_I	130_Y	0.791	1.00
208_S	225_Y	0.788	1.00
308_F	311_E	0.787	1.00
24_I	63_V	0.785	1.00
257_Y	267_L	0.784	1.00
149_D	310_A	0.782	1.00
217_A	222_A	0.782	1.00
10_L	323_A	0.780	1.00
196_F	308_F	0.778	1.00
319_E	328_E	0.776	1.00
32_H	76_G	0.775	1.00
34_V	141_D	0.775	1.00
43_I	333_I	0.775	1.00
30_R	138_V	0.774	1.00
200_M	304_E	0.773	1.00
21_Q	323_A	0.771	1.00
133_Y	344_I	0.771	1.00
132_G	137_I	0.767	1.00
280_S	283_S	0.765	1.00
321_I	342_F	0.761	1.00
14_H	22_T	0.758	1.00
170_L	197_A	0.756	1.00
90_V	139_V	0.752	1.00
180_K	239_G	0.746	1.00
319_E	342_F	0.746	1.00
269_S	291_I	0.741	1.00
247_T	270_V	0.740	1.00
89_G	147_I	0.738	1.00
88_V	144_V	0.733	1.00
151_L	309_A	0.732	1.00
332_R	335_R	0.731	1.00
333_I	342_F	0.727	1.00
175_V	243_V	0.727	1.00
255_D	283_S	0.725	1.00
29_L	74_A	0.724	1.00
210_S	227_A	0.721	1.00
44_C	66_H	0.720	1.00
69_A	157_S	0.720	1.00
169_P	193_A	0.718	1.00
204_V	223_N	0.717	1.00
148_P	310_A	0.714	1.00
233_T	238_A	0.713	1.00
166_T	192_L	0.711	1.00
174_N	292_A	0.711	1.00
46_S	66_H	0.710	1.00
32_H	77_T	0.709	1.00
306_L	310_A	0.705	1.00
202_A	243_V	0.702	1.00
216_E	317_K	0.702	1.00
230_D	233_T	0.697	1.00
32_H	142_R	0.696	1.00
174_N	290_S	0.694	1.00
263_I	287_G	0.686	1.00
308_F	312_H	0.686	1.00
145_V	302_T	0.684	1.00
58_G	62_M	0.682	1.00
86_D	149_D	0.682	1.00
11_S	63_V	0.679	1.00
183_I	206_V	0.679	1.00
216_E	220_L	0.679	1.00
48_I	334_L	0.678	1.00
11_S	24_I	0.677	1.00
251_N	255_D	0.677	1.00
167_Y	308_F	0.675	1.00
167_Y	305_M	0.675	1.00
16_K	331_E	0.674	1.00
191_H	317_K	0.673	1.00
168_S	288_R	0.672	1.00
17_A	331_E	0.669	1.00
243_V	268_V	0.668	1.00
284_L	293_G	0.665	1.00
241_F	244_I	0.665	1.00
29_L	76_G	0.664	1.00
34_V	72_V	0.663	1.00
27_R	138_V	0.662	1.00
194_I	220_L	0.661	1.00
284_L	289_R	0.661	1.00
44_C	47_D	0.657	1.00
89_G	160_L	0.656	1.00
171_K	200_M	0.655	1.00
321_I	344_I	0.655	1.00
145_V	306_L	0.653	1.00
196_F	200_M	0.653	1.00
246_N	267_L	0.652	1.00
195_Q	220_L	0.649	1.00
239_G	262_R	0.649	1.00
254_V	267_L	0.649	1.00
38_I	41_S	0.648	1.00
166_T	189_L	0.646	1.00
40_F	69_A	0.640	1.00
167_Y	301_E	0.639	1.00
283_S	286_M	0.638	1.00
36_I	90_V	0.637	1.00
12_V	18_K	0.637	1.00
255_D	278_T	0.634	1.00
241_F	260_M	0.632	1.00
177_P	201_G	0.632	1.00
49_H	54_E	0.630	1.00
69_A	147_I	0.628	1.00
87_R	150_R	0.625	1.00
166_T	170_L	0.625	1.00
39_K	345_D	0.624	1.00
158_P	343_V	0.624	1.00
90_V	144_V	0.623	1.00
222_A	225_Y	0.620	1.00
40_F	320_V	0.620	1.00
141_D	144_V	0.620	1.00
219_E	315_E	0.620	1.00
66_H	161_C	0.619	1.00
178_G	203_E	0.616	1.00
59_I	62_M	0.615	1.00
208_S	228_T	0.615	1.00
198_H	204_V	0.614	1.00
243_V	266_T	0.613	1.00
250_A	253_D	0.606	1.00
288_R	298_G	0.604	1.00
43_I	133_Y	0.604	1.00
82_L	141_D	0.603	1.00
332_R	338_V	0.602	1.00
276_P	280_S	0.600	1.00
69_A	87_R	0.595	1.00
81_K	84_V	0.594	1.00
162_A	192_L	0.593	1.00
41_S	344_I	0.592	1.00
46_S	50_S	0.591	1.00
91_G	145_V	0.591	1.00
36_I	144_V	0.589	1.00
173_W	266_T	0.588	1.00
159_L	305_M	0.587	1.00
224_H	227_A	0.586	1.00
169_P	268_V	0.586	1.00
27_R	33_D	0.584	1.00
214_K	217_A	0.583	1.00
181_V	243_V	0.582	1.00
165_T	189_L	0.582	1.00
233_T	256_A	0.579	1.00
44_C	162_A	0.579	1.00
193_A	270_V	0.576	1.00
302_T	306_L	0.571	1.00
48_I	52_F	0.571	1.00
309_A	316_P	0.570	1.00
75_V	86_D	0.569	1.00
182_A	244_I	0.566	1.00
25_E	28_G	0.566	1.00
330_Y	334_L	0.566	1.00
43_I	344_I	0.560	1.00
158_P	316_P	0.560	1.00
50_S	55_W	0.558	1.00
81_K	146_R	0.558	1.00
231_P	256_A	0.558	1.00
61_P	65_G	0.557	1.00
65_G	133_Y	0.557	1.00
234_F	241_F	0.557	1.00
244_I	260_M	0.555	1.00
209_R	217_A	0.553	1.00
27_R	136_K	0.552	1.00
329_A	344_I	0.550	1.00
301_E	304_E	0.550	1.00
140_T	143_F	0.550	1.00
194_I	217_A	0.548	1.00
44_C	161_C	0.548	1.00
192_L	196_F	0.547	1.00
67_E	161_C	0.546	1.00
183_I	194_I	0.546	1.00
207_L	226_F	0.545	1.00
208_S	227_A	0.543	1.00
253_D	257_Y	0.543	1.00
19_F	330_Y	0.542	1.00
63_V	131_G	0.539	1.00
45_H	49_H	0.538	1.00
213_K	337_D	0.538	1.00
44_C	341_R	0.538	1.00
233_T	237_L	0.537	1.00
170_L	196_F	0.536	1.00
80_T	83_A	0.535	1.00
46_S	49_H	0.535	1.00
152_E	320_V	0.535	1.00
169_P	294_S	0.534	1.00
162_A	188_G	0.531	1.00
321_I	328_E	0.529	1.00
26_R	138_V	0.528	1.00
42_G	157_S	0.528	1.00
208_S	213_K	0.527	1.00
174_N	200_M	0.527	1.00
192_L	314_I	0.526	1.00
33_D	129_T	0.525	1.00
171_K	174_N	0.525	1.00
18_K	327_D	0.524	1.00
235_T	240_R	0.524	1.00
177_P	200_M	0.524	1.00
171_K	300_Q	0.521	1.00
294_S	297_G	0.521	1.00
217_A	225_Y	0.521	1.00
254_V	269_S	0.521	1.00
198_H	222_A	0.520	1.00
240_R	262_R	0.519	1.00
191_H	220_L	0.517	1.00
180_K	224_H	0.516	1.00
286_M	295_L	0.516	1.00
289_R	293_G	0.516	1.00
90_V	132_G	0.516	1.00
38_I	90_V	0.516	1.00
180_K	240_R	0.514	1.00
268_V	294_S	0.514	1.00
168_S	172_H	0.512	1.00
212_N	337_D	0.512	1.00
281_V	284_L	0.512	1.00
75_V	82_L	0.511	1.00
69_A	156_A	0.511	1.00
294_S	299_I	0.511	1.00
146_R	149_D	0.509	1.00
282_F	286_M	0.508	1.00
162_A	341_R	0.506	1.00
90_V	137_I	0.504	1.00
67_E	341_R	0.504	1.00
165_T	270_V	0.502	1.00
163_G	195_Q	0.502	1.00
195_Q	314_I	0.502	1.00
21_Q	326_V	0.501	1.00
167_Y	196_F	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
1uufA	2	0.9599	100	0.175	Contact Map
2cf5A	1	0.9914	100	0.176	Contact Map
4oaqA	2	1	100	0.178	Contact Map
1piwA	2	0.9914	100	0.184	Contact Map
3twoA	2	0.9771	100	0.186	Contact Map
1yqdA	2	0.9885	100	0.187	Contact Map
4c4oA	4	0.957	100	0.188	Contact Map
1h2bA	4	0.9427	100	0.19	Contact Map
1rjwA	4	0.957	100	0.192	Contact Map
4gkvA	4	0.9513	100	0.196	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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