Q9HPH9 - HALSA - GREMLIN Contacts

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Q9HPH9 - Aryl-alcohol dehydrogenase

UniProt:	Q9HPH9	Sequences: MGLDAVPLGRTGLRVTELAFGTWRFGRETDAGDIEVGEQRAHELLDAYANAGGRFIDTADMYGGGRAERYIGDWLADRDRDRYVIASKVYWPTSTAPNGRGLNRKHLRASVDNILDRLGTDYIDILYIHRWDDATPADALMRTLDGFVREGTVHYLGASTFHPNAWKIAKANEIAARRGSEPFTVAQPRFNAVNREIVGNYLEMCREYGLGVVPWSPLAGGFLTGKYERDAEPPAGSRGATDQQFVDSYLTPSNFDTLDAVEAVADAVDATPAQVSLAWLRHHDQVAAPITGARTPAQLRENMAATNIELTATQRDRITDAARR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	324 (267)
Sequences:	31910 (20013)
Seq/√Len:	1224.8

ECOLI - YDJG YAJO GPR TAS YDHF YEAE YDBC DKGA DKGB
BACSU - IOLS GS69 YRPG YCCK YCSN YQKF YTBE GR
HALSA - Q9HPH9 Q9HQU7 Q9HNN3 Q9HSE6 Q9HS02 Q9HQT1
SULSO - Q97UG6 Q97UJ7 Q97ZZ1 Q97UV9 Q97V56 Q97U17

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
47_A	300_R	3.144	1.00
38_E	73_D	2.940	1.00
112_D	152_T	2.927	1.00
76_A	119_G	2.804	1.00
268_V	314_Q	2.742	1.00
7_P	14_R	2.461	1.00
311_T	314_Q	2.443	1.00
111_V	147_F	2.437	1.00
108_R	146_G	2.414	1.00
42_H	77_D	2.391	1.00
108_R	150_E	2.347	1.00
47_A	51_A	2.284	1.00
267_A	317_R	2.217	1.00
262_E	266_D	2.067	1.00
145_D	149_R	2.065	1.00
42_H	73_D	2.041	1.00
282_H	315_R	2.025	1.00
267_A	314_Q	1.978	1.00
122_Y	154_H	1.958	1.00
6_V	17_E	1.943	1.00
312_A	316_D	1.941	1.00
113_N	117_R	1.933	1.00
146_G	150_E	1.933	1.00
204_M	208_Y	1.923	1.00
296_P	300_R	1.890	1.00
263_A	317_R	1.887	1.00
205_C	212_V	1.834	1.00
47_A	296_P	1.818	1.00
104_R	146_G	1.798	1.00
19_A	55_F	1.788	1.00
270_A	308_I	1.761	1.00
51_A	300_R	1.740	1.00
169_A	173_E	1.730	1.00
79_D	82_R	1.710	1.00
283_H	319_T	1.710	1.00
127_Y	185_V	1.710	1.00
69_R	117_R	1.690	1.00
85_I	120_T	1.688	1.00
146_G	149_R	1.680	1.00
87_S	123_I	1.649	1.00
260_A	263_A	1.644	1.00
104_R	108_R	1.640	1.00
37_G	40_R	1.636	1.00
169_A	204_M	1.615	1.00
42_H	46_D	1.609	1.00
51_A	303_M	1.609	1.00
304_A	307_N	1.605	1.00
271_T	301_E	1.602	1.00
89_V	107_L	1.593	1.00
278_A	308_I	1.588	1.00
46_D	78_R	1.588	1.00
89_V	126_L	1.584	1.00
42_H	74_W	1.573	1.00
211_G	288_A	1.571	1.00
108_R	112_D	1.564	1.00
143_T	146_G	1.559	1.00
47_A	50_N	1.555	1.00
87_S	114_I	1.552	1.00
46_D	77_D	1.551	1.00
22_T	56_I	1.542	1.00
111_V	126_L	1.541	1.00
48_Y	53_G	1.529	1.00
145_D	181_E	1.522	1.00
316_D	320_D	1.510	1.00
200_N	203_E	1.485	1.00
86_A	127_Y	1.484	1.00
13_L	155_Y	1.473	1.00
109_A	113_N	1.457	1.00
49_A	83_Y	1.442	1.00
270_A	274_Q	1.431	1.00
60_D	110_S	1.426	1.00
127_Y	213_V	1.405	1.00
162_H	167_K	1.395	1.00
38_E	42_H	1.386	1.00
112_D	116_D	1.381	1.00
40_R	43_E	1.381	1.00
206_R	284_D	1.375	1.00
203_E	207_E	1.374	1.00
45_L	74_W	1.368	1.00
123_I	153_V	1.357	1.00
172_N	208_Y	1.348	1.00
148_V	181_E	1.342	1.00
46_D	50_N	1.335	1.00
300_R	304_A	1.323	1.00
13_L	84_V	1.303	1.00
104_R	142_R	1.302	1.00
317_R	320_D	1.297	1.00
172_N	204_M	1.296	1.00
43_E	47_A	1.279	1.00
278_A	282_H	1.276	1.00
113_N	116_D	1.264	1.00
188_P	212_V	1.263	1.00
263_A	267_A	1.259	1.00
80_R	120_T	1.257	1.00
260_A	317_R	1.256	1.00
147_F	153_V	1.255	1.00
108_R	143_T	1.254	1.00
153_V	156_L	1.254	1.00
270_A	275_V	1.237	1.00
104_R	143_T	1.232	1.00
118_L	123_I	1.222	1.00
138_D	174_I	1.219	1.00
165_A	204_M	1.218	1.00
155_Y	184_T	1.217	1.00
72_G	119_G	1.203	1.00
293_A	298_Q	1.200	1.00
39_Q	43_E	1.198	1.00
202_L	206_R	1.183	1.00
271_T	274_Q	1.175	1.00
264_V	275_V	1.172	1.00
293_A	299_L	1.158	1.00
73_D	119_G	1.155	1.00
84_V	125_I	1.153	1.00
111_V	123_I	1.149	1.00
169_A	207_E	1.147	1.00
56_I	71_I	1.144	1.00
125_I	185_V	1.129	1.00
297_A	300_R	1.129	1.00
131_W	167_K	1.129	1.00
262_E	272_P	1.127	1.00
69_R	73_D	1.123	1.00
68_E	114_I	1.119	1.00
105_K	109_A	1.118	1.00
106_H	109_A	1.108	1.00
80_R	122_Y	1.100	1.00
145_D	148_V	1.084	1.00
112_D	150_E	1.081	1.00
280_L	289_P	1.080	1.00
190_F	283_H	1.080	1.00
169_A	208_Y	1.072	1.00
139_A	142_R	1.070	1.00
55_F	213_V	1.070	1.00
192_A	318_I	1.068	1.00
54_R	84_V	1.066	1.00
189_R	194_N	1.064	1.00
11_T	155_Y	1.062	1.00
148_V	184_T	1.061	1.00
44_L	299_L	1.060	1.00
128_I	144_L	1.052	1.00
55_F	86_A	1.047	1.00
144_L	156_L	1.046	1.00
22_T	71_I	1.045	1.00
103_N	106_H	1.042	1.00
259_D	263_A	1.031	1.00
261_V	272_P	1.023	1.00
43_E	296_P	1.018	1.00
259_D	262_E	1.014	1.00
274_Q	304_A	1.014	1.00
7_P	12_G	1.013	1.00
102_L	128_I	1.011	1.00
263_A	266_D	1.008	1.00
165_A	169_A	1.005	1.00
10_R	184_T	1.003	1.00
170_K	174_I	0.998	1.00
199_G	203_E	0.997	1.00
281_R	305_A	0.989	1.00
138_D	170_K	0.988	1.00
192_A	276_S	0.985	1.00
75_L	83_Y	0.982	1.00
46_D	74_W	0.982	1.00
17_E	281_R	0.978	1.00
147_F	152_T	0.976	1.00
16_T	53_G	0.970	1.00
197_I	212_V	0.966	1.00
158_A	183_F	0.961	1.00
73_D	77_D	0.958	1.00
49_A	78_R	0.957	1.00
16_T	54_R	0.954	1.00
299_L	303_M	0.954	1.00
124_D	154_H	0.950	1.00
142_R	146_G	0.942	1.00
69_R	116_D	0.940	1.00
185_V	213_V	0.935	1.00
162_H	166_W	0.931	1.00
213_V	288_A	0.931	1.00
274_Q	301_E	0.929	1.00
203_E	206_R	0.919	1.00
147_F	150_E	0.914	1.00
11_T	184_T	0.912	1.00
43_E	46_D	0.910	1.00
301_E	304_A	0.902	1.00
206_R	286_V	0.899	1.00
68_E	117_R	0.898	1.00
108_R	111_V	0.896	1.00
277_L	305_A	0.895	1.00
297_A	301_E	0.895	1.00
143_T	147_F	0.894	1.00
45_L	56_I	0.894	1.00
282_H	309_E	0.888	1.00
60_D	93_T	0.881	1.00
316_D	319_T	0.879	1.00
158_A	168_I	0.877	1.00
17_E	306_T	0.876	1.00
313_T	316_D	0.873	1.00
104_R	139_A	0.872	1.00
168_I	210_L	0.867	1.00
186_A	205_C	0.861	1.00
92_P	101_G	0.860	1.00
145_D	156_L	0.859	1.00
109_A	112_D	0.857	1.00
156_L	183_F	0.853	1.00
142_R	145_D	0.852	1.00
283_H	315_R	0.852	1.00
86_A	213_V	0.851	1.00
313_T	317_R	0.850	1.00
108_R	147_F	0.844	1.00
60_D	106_H	0.842	1.00
86_A	125_I	0.840	1.00
267_A	311_T	0.836	1.00
295_T	298_Q	0.835	1.00
170_K	173_E	0.835	1.00
264_V	268_V	0.827	1.00
162_H	165_A	0.826	1.00
268_V	311_T	0.823	1.00
11_T	148_V	0.822	1.00
20_F	48_Y	0.815	1.00
195_R	319_T	0.806	1.00
22_T	67_A	0.803	1.00
202_L	212_V	0.798	1.00
282_H	312_A	0.781	1.00
278_A	305_A	0.780	1.00
60_D	117_R	0.779	1.00
165_A	201_Y	0.774	1.00
276_S	280_L	0.770	1.00
115_L	152_T	0.767	1.00
141_M	171_A	0.766	1.00
39_Q	42_H	0.766	1.00
228_E	231_A	0.765	1.00
160_T	215_W	0.761	1.00
204_M	207_E	0.759	1.00
228_E	262_E	0.759	1.00
195_R	198_V	0.753	1.00
51_A	304_A	0.749	1.00
130_R	160_T	0.747	1.00
190_F	202_L	0.746	1.00
20_F	25_F	0.746	1.00
172_N	182_P	0.743	1.00
87_S	126_L	0.742	1.00
47_A	299_L	0.740	1.00
217_P	291_T	0.736	1.00
266_D	269_D	0.735	1.00
19_A	291_T	0.732	1.00
165_A	200_N	0.724	1.00
214_P	217_P	0.720	1.00
255_F	259_D	0.716	1.00
41_A	70_Y	0.715	1.00
136_P	139_A	0.713	1.00
81_D	122_Y	0.710	1.00
53_G	303_M	0.707	1.00
111_V	152_T	0.706	1.00
270_A	307_N	0.704	1.00
60_D	113_N	0.703	1.00
279_W	319_T	0.701	1.00
107_L	147_F	0.700	1.00
201_Y	205_C	0.699	1.00
115_L	120_T	0.697	1.00
158_A	161_F	0.696	1.00
44_L	296_P	0.696	1.00
102_L	140_L	0.695	1.00
228_E	259_D	0.693	1.00
256_D	259_D	0.693	1.00
141_M	183_F	0.692	1.00
264_V	314_Q	0.692	1.00
214_P	289_P	0.691	1.00
58_T	71_I	0.689	1.00
13_L	154_H	0.689	1.00
45_L	49_A	0.686	1.00
110_S	113_N	0.683	1.00
310_L	315_R	0.681	1.00
141_M	156_L	0.678	1.00
18_L	281_R	0.678	1.00
107_L	140_L	0.677	1.00
205_C	210_L	0.674	1.00
49_A	56_I	0.674	1.00
261_V	276_S	0.673	1.00
275_V	310_L	0.669	1.00
260_A	321_A	0.669	1.00
6_V	211_G	0.668	1.00
294_R	298_Q	0.665	1.00
273_A	301_E	0.663	1.00
229_R	259_D	0.662	1.00
202_L	283_H	0.661	1.00
25_F	44_L	0.661	1.00
158_A	186_A	0.660	1.00
137_A	174_I	0.659	1.00
268_V	275_V	0.653	1.00
75_L	78_R	0.649	1.00
51_A	299_L	0.647	1.00
54_R	82_R	0.645	1.00
190_F	280_L	0.644	1.00
195_R	199_G	0.643	1.00
40_R	296_P	0.642	1.00
270_A	304_A	0.641	1.00
298_Q	301_E	0.638	1.00
264_V	317_R	0.637	1.00
15_V	288_A	0.637	1.00
144_L	148_V	0.637	1.00
265_A	275_V	0.635	1.00
114_I	126_L	0.630	1.00
140_L	143_T	0.630	1.00
211_G	287_A	0.629	1.00
217_P	280_L	0.629	1.00
148_V	155_Y	0.627	1.00
280_L	287_A	0.626	1.00
255_F	258_L	0.626	1.00
61_M	90_Y	0.625	1.00
127_Y	157_G	0.625	1.00
115_L	123_I	0.624	1.00
107_L	143_T	0.623	1.00
24_R	220_G	0.620	1.00
261_V	318_I	0.620	1.00
123_I	126_L	0.615	1.00
78_R	82_R	0.612	1.00
19_A	288_A	0.612	1.00
310_L	314_Q	0.611	1.00
190_F	212_V	0.608	1.00
10_R	182_P	0.608	1.00
137_A	140_L	0.608	1.00
169_A	172_N	0.607	1.00
27_R	70_Y	0.607	1.00
108_R	152_T	0.604	1.00
256_D	260_A	0.603	1.00
167_K	170_K	0.603	1.00
148_V	153_V	0.599	1.00
115_L	122_Y	0.597	1.00
25_F	41_A	0.596	1.00
270_A	278_A	0.595	1.00
111_V	115_L	0.595	1.00
265_A	272_P	0.593	1.00
49_A	54_R	0.593	1.00
314_Q	317_R	0.591	1.00
44_L	293_A	0.587	1.00
23_W	216_S	0.585	1.00
45_L	71_I	0.585	1.00
132_D	135_T	0.584	1.00
74_W	78_R	0.582	1.00
225_G	228_E	0.580	1.00
50_N	296_P	0.579	1.00
158_A	171_A	0.579	1.00
38_E	70_Y	0.579	1.00
281_R	289_P	0.579	1.00
275_V	308_I	0.579	1.00
115_L	121_D	0.576	1.00
89_V	102_L	0.575	1.00
197_I	202_L	0.574	1.00
258_L	262_E	0.574	1.00
216_S	220_G	0.572	1.00
49_A	82_R	0.571	1.00
190_F	287_A	0.569	1.00
103_N	140_L	0.567	1.00
10_R	209_G	0.566	1.00
172_N	210_L	0.566	1.00
190_F	195_R	0.565	1.00
8_L	211_G	0.554	1.00
283_H	287_A	0.553	1.00
275_V	314_Q	0.551	1.00
15_V	55_F	0.551	1.00
275_V	318_I	0.549	1.00
166_W	169_A	0.549	1.00
111_V	143_T	0.547	1.00
261_V	265_A	0.546	1.00
93_T	106_H	0.545	1.00
224_T	227_Y	0.543	1.00
192_A	279_W	0.543	1.00
18_L	306_T	0.541	1.00
101_G	106_H	0.540	1.00
274_Q	308_I	0.539	1.00
89_V	110_S	0.535	1.00
278_A	309_E	0.532	1.00
128_I	140_L	0.530	1.00
49_A	74_W	0.530	1.00
148_V	182_P	0.527	1.00
138_D	142_R	0.527	1.00
19_A	290_I	0.526	1.00
126_L	144_L	0.525	1.00
26_G	67_A	0.525	1.00
50_N	78_R	0.524	1.00
264_V	321_A	0.524	1.00
265_A	268_V	0.521	1.00
57_D	187_Q	0.520	1.00
20_F	44_L	0.519	1.00
188_P	201_Y	0.518	1.00
214_P	286_V	0.518	1.00
60_D	90_Y	0.517	1.00
149_R	181_E	0.517	1.00
131_W	161_F	0.516	1.00
126_L	153_V	0.513	1.00
315_R	319_T	0.513	1.00
68_E	87_S	0.511	1.00
73_D	76_A	0.511	1.00
58_T	67_A	0.510	1.00
137_A	170_K	0.510	1.00
104_R	107_L	0.507	1.00
42_H	70_Y	0.506	1.00
268_V	308_I	0.504	1.00
296_P	299_L	0.504	1.00
25_F	292_G	0.503	1.00
69_R	119_G	0.501	1.00
148_V	156_L	0.500	1.00
156_L	181_E	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
4xk2A	5	0.9074	100	0.07	Contact Map
1pyfA	1	0.9568	100	0.076	Contact Map
3n2tA	1	0.9568	100	0.08	Contact Map
1pz1A	1	0.9568	100	0.08	Contact Map
3v0sA	1	0.8333	100	0.093	Contact Map
3eauA	3	0.963	100	0.098	Contact Map
3erpA	6	0.9074	100	0.099	Contact Map
1lqaA	2	0.9599	100	0.104	Contact Map
3lutA	3	0.9599	100	0.109	Contact Map
3n6qA	5	0.9074	100	0.11	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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