Q9HQU7 - HALSA - GREMLIN Contacts

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Q9HQU7 - Probable oxidoreductase

UniProt:	Q9HQU7	Sequences: MPPTDDQPLGFVQLGDTGLQTSALQFGTWRFGKRTESGDLEISEQRAHDLLDTYADAGGRYIDTADVYGGGDSERWIGDWLSDRDRDRYTIASKIYWQVRDGDPNSRGTNRKTIRNRITALLDRLGTEYLDVLYIHRWDGDTTARELMRTLNDLVADGLVHYLGASTLQPNAWRIARANELARAEGWEPFSVLQPRYNLVDREIEGDYLTFAREQGLAVCPWSPLAQGFLTGKYSRDDGLTGESKASDSSRWADTYLTDANFDAHDVLDAVADEVEASPPQVALAWLLHRDGITAPIVGARTPDQLSENIDAATIDLTDDQMARLTDAAAGPYADL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	336 (279)
Sequences:	30890 (19680)
Seq/√Len:	1178.2

ECOLI - YDJG GPR YAJO TAS YDHF YEAE YDBC DKGA DKGB
BACSU - IOLS GS69 YRPG YCCK YCSN YQKF YTBE GR
HALSA - Q9HQU7 Q9HPH9 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
53_T	307_S	3.267	1.00
44_E	79_D	3.048	1.00
119_T	159_L	3.015	1.00
82_S	126_G	2.913	1.00
275_V	321_Q	2.825	1.00
13_Q	20_Q	2.538	1.00
118_I	154_L	2.538	1.00
318_T	321_Q	2.537	1.00
115_R	153_D	2.453	1.00
48_H	83_D	2.414	1.00
53_T	57_A	2.399	1.00
115_R	157_D	2.394	1.00
274_E	324_R	2.291	1.00
152_N	156_A	2.158	1.00
12_V	23_A	2.152	1.00
269_D	273_D	2.139	1.00
289_H	322_M	2.107	1.00
48_H	79_D	2.019	1.00
274_E	321_Q	2.016	1.00
129_Y	161_H	2.016	1.00
211_F	215_Q	1.991	1.00
319_D	323_A	1.960	1.00
153_D	157_D	1.944	1.00
120_A	124_R	1.942	1.00
270_A	324_R	1.930	1.00
72_D	75_R	1.905	1.00
25_Q	61_Y	1.887	1.00
111_R	153_D	1.884	1.00
303_P	307_S	1.873	1.00
212_A	219_V	1.872	1.00
53_T	303_P	1.861	1.00
57_A	307_S	1.836	1.00
277_A	315_I	1.833	1.00
85_D	88_R	1.792	1.00
134_Y	192_V	1.771	1.00
93_S	130_L	1.741	1.00
153_D	156_A	1.738	1.00
267_V	270_A	1.731	1.00
11_F	20_Q	1.719	1.00
75_R	124_R	1.712	1.00
91_I	127_T	1.706	1.00
290_R	326_T	1.693	1.00
111_R	115_R	1.689	1.00
52_D	84_R	1.684	1.00
278_S	308_E	1.672	1.00
54_Y	59_G	1.666	1.00
285_A	315_I	1.657	1.00
323_A	327_D	1.655	1.00
43_S	46_R	1.648	1.00
57_A	310_I	1.644	1.00
95_I	133_L	1.639	1.00
48_H	80_W	1.625	1.00
95_I	114_I	1.615	1.00
48_H	52_D	1.611	1.00
311_D	314_T	1.608	1.00
93_S	121_L	1.604	1.00
118_I	133_L	1.599	1.00
92_A	134_Y	1.596	1.00
53_T	56_D	1.578	1.00
115_R	119_T	1.576	1.00
28_T	62_I	1.565	1.00
52_D	83_D	1.564	1.00
150_T	153_D	1.561	1.00
218_A	295_A	1.560	1.00
116_N	120_A	1.533	1.00
19_L	162_Y	1.521	1.00
134_Y	220_C	1.518	1.00
10_G	23_A	1.499	1.00
152_N	188_E	1.497	1.00
66_D	117_R	1.463	1.00
55_A	89_Y	1.462	1.00
46_R	49_D	1.454	1.00
51_L	80_W	1.439	1.00
207_D	210_T	1.419	1.00
277_A	281_Q	1.418	1.00
130_L	160_V	1.407	1.00
44_E	48_H	1.405	1.00
119_T	123_D	1.380	1.00
52_D	56_D	1.376	1.00
213_R	291_D	1.363	1.00
177_R	180_E	1.354	1.00
86_R	127_T	1.350	1.00
210_T	214_E	1.347	1.00
180_E	184_A	1.344	1.00
19_L	90_T	1.337	1.00
324_R	327_D	1.335	1.00
160_V	163_L	1.328	1.00
307_S	311_D	1.325	1.00
267_V	324_R	1.321	1.00
111_R	149_R	1.314	1.00
115_R	150_T	1.311	1.00
49_D	53_T	1.305	1.00
120_A	123_D	1.296	1.00
154_L	160_V	1.289	1.00
277_A	282_V	1.287	1.00
270_A	274_E	1.286	1.00
155_V	188_E	1.278	1.00
78_G	126_G	1.275	1.00
195_P	219_V	1.270	1.00
111_R	150_T	1.267	1.00
179_N	183_R	1.258	1.00
285_A	289_H	1.254	1.00
118_I	130_L	1.254	1.00
62_I	77_I	1.240	1.00
278_S	281_Q	1.217	1.00
74_E	121_L	1.217	1.00
179_N	211_F	1.213	1.00
162_Y	191_S	1.208	1.00
125_L	130_L	1.206	1.00
300_A	305_Q	1.196	1.00
90_T	132_V	1.194	1.00
179_N	182_A	1.190	1.00
300_A	306_L	1.180	1.00
75_R	79_D	1.178	1.00
79_D	126_G	1.178	1.00
269_D	279_P	1.160	1.00
271_V	282_V	1.157	1.00
45_Q	49_D	1.155	1.00
209_L	213_R	1.150	1.00
28_T	77_I	1.146	1.00
304_D	307_S	1.138	1.00
146_E	149_R	1.137	1.00
179_N	215_Q	1.130	1.00
50_L	306_L	1.128	1.00
61_Y	92_A	1.126	1.00
132_V	192_V	1.125	1.00
287_L	296_P	1.124	1.00
61_Y	220_C	1.121	1.00
86_R	129_Y	1.120	1.00
113_T	116_N	1.117	1.00
196_R	201_D	1.116	1.00
199_L	325_L	1.100	1.00
266_D	270_A	1.099	1.00
112_K	116_N	1.099	1.00
60_R	90_T	1.093	1.00
151_L	163_L	1.088	1.00
49_D	303_P	1.082	1.00
213_R	292_G	1.082	1.00
135_I	151_L	1.080	1.00
13_Q	18_G	1.076	1.00
197_Y	290_R	1.074	1.00
17_T	162_Y	1.073	1.00
119_T	157_D	1.073	1.00
266_D	269_D	1.059	1.00
281_Q	311_D	1.054	1.00
200_V	265_H	1.044	1.00
202_R	329_A	1.041	1.00
268_L	279_P	1.039	1.00
270_A	273_D	1.035	1.00
52_D	80_W	1.025	1.00
81_L	89_Y	1.024	1.00
155_V	191_S	1.023	1.00
110_N	113_T	1.022	1.00
152_N	155_V	1.020	1.00
23_A	288_L	1.002	1.00
199_L	283_A	0.997	1.00
22_S	60_R	0.992	1.00
288_L	312_A	0.983	1.00
154_L	159_L	0.982	1.00
149_R	153_D	0.977	1.00
210_T	213_R	0.976	1.00
16_D	191_S	0.974	1.00
176_A	180_E	0.965	1.00
55_A	84_R	0.962	1.00
165_A	190_F	0.956	1.00
281_Q	308_E	0.953	1.00
111_R	146_E	0.952	1.00
220_C	295_A	0.952	1.00
192_V	220_C	0.945	1.00
154_L	157_D	0.944	1.00
75_R	123_D	0.943	1.00
22_S	59_G	0.935	1.00
17_T	191_S	0.933	1.00
115_R	118_I	0.933	1.00
51_L	62_I	0.932	1.00
79_D	83_D	0.931	1.00
131_D	161_H	0.930	1.00
308_E	311_D	0.927	1.00
304_D	308_E	0.924	1.00
10_G	316_D	0.923	1.00
320_D	323_A	0.921	1.00
306_L	310_I	0.919	1.00
98_Q	108_G	0.918	1.00
323_A	326_T	0.911	1.00
74_E	124_R	0.910	1.00
163_L	190_F	0.910	1.00
206_G	210_T	0.909	1.00
116_N	119_T	0.901	1.00
284_L	312_A	0.900	1.00
150_T	154_L	0.898	1.00
49_D	52_D	0.896	1.00
213_R	293_I	0.888	1.00
289_H	316_D	0.888	1.00
115_R	154_L	0.888	1.00
66_D	113_T	0.886	1.00
271_V	275_V	0.884	1.00
23_A	313_A	0.877	1.00
290_R	322_M	0.876	1.00
92_A	220_C	0.874	1.00
149_R	152_N	0.872	1.00
66_D	99_V	0.868	1.00
167_T	222_W	0.856	1.00
302_T	305_Q	0.851	1.00
320_D	324_R	0.850	1.00
193_L	212_A	0.849	1.00
92_A	132_V	0.846	1.00
26_F	54_Y	0.842	1.00
17_T	155_V	0.842	1.00
275_V	318_T	0.840	1.00
235_S	269_D	0.831	1.00
204_I	219_V	0.826	1.00
209_L	219_V	0.818	1.00
137_R	167_T	0.813	1.00
202_R	326_T	0.809	1.00
274_E	318_T	0.808	1.00
175_I	179_N	0.808	1.00
44_E	72_D	0.807	1.00
28_T	73_S	0.806	1.00
259_D	263_D	0.804	1.00
211_F	214_E	0.798	1.00
152_N	163_L	0.794	1.00
26_F	31_F	0.792	1.00
64_T	77_I	0.789	1.00
285_A	312_A	0.786	1.00
122_L	159_L	0.785	1.00
224_P	298_V	0.782	1.00
289_H	319_D	0.771	1.00
57_A	311_D	0.769	1.00
66_D	124_R	0.761	1.00
283_A	287_L	0.757	1.00
47_A	76_W	0.752	1.00
45_Q	48_H	0.750	1.00
25_Q	298_V	0.748	1.00
12_V	218_A	0.748	1.00
114_I	154_L	0.747	1.00
59_G	310_I	0.746	1.00
317_L	322_M	0.740	1.00
117_R	120_A	0.737	1.00
221_P	296_P	0.737	1.00
267_V	328_A	0.735	1.00
218_A	294_T	0.734	1.00
165_A	168_L	0.733	1.00
11_F	60_R	0.731	1.00
202_R	205_E	0.731	1.00
148_M	190_F	0.730	1.00
197_Y	209_L	0.723	1.00
24_L	288_L	0.715	1.00
114_I	147_L	0.714	1.00
176_A	179_N	0.714	1.00
66_D	120_A	0.712	1.00
273_D	276_E	0.711	1.00
93_S	133_L	0.711	1.00
122_L	127_T	0.710	1.00
46_R	303_P	0.707	1.00
31_F	50_L	0.704	1.00
19_L	161_H	0.704	1.00
118_I	159_L	0.702	1.00
87_D	129_Y	0.701	1.00
51_L	55_A	0.701	1.00
301_R	305_Q	0.701	1.00
55_A	62_I	0.700	1.00
148_M	163_L	0.700	1.00
286_W	326_T	0.699	1.00
263_D	266_D	0.696	1.00
165_A	193_L	0.692	1.00
208_Y	212_A	0.692	1.00
262_F	266_D	0.692	1.00
50_L	303_P	0.691	1.00
268_L	283_A	0.690	1.00
53_T	306_L	0.686	1.00
221_P	224_P	0.681	1.00
277_A	314_T	0.679	1.00
235_S	266_D	0.679	1.00
275_V	282_V	0.676	1.00
21_T	295_A	0.674	1.00
282_V	317_L	0.673	1.00
81_L	84_R	0.673	1.00
183_R	189_P	0.672	1.00
180_E	183_R	0.671	1.00
280_P	308_E	0.671	1.00
165_A	178_A	0.671	1.00
156_A	186_G	0.668	1.00
271_V	321_Q	0.666	1.00
197_Y	287_L	0.666	1.00
209_L	290_R	0.665	1.00
236_R	266_D	0.662	1.00
151_L	155_V	0.660	1.00
60_R	88_R	0.659	1.00
109_T	135_I	0.658	1.00
202_R	206_G	0.658	1.00
265_H	269_D	0.655	1.00
287_L	294_T	0.652	1.00
84_R	88_R	0.652	1.00
268_L	325_L	0.651	1.00
277_A	311_D	0.648	1.00
212_A	217_L	0.647	1.00
30_R	227_Q	0.645	1.00
305_Q	308_E	0.644	1.00
147_L	150_T	0.643	1.00
31_F	47_A	0.642	1.00
134_Y	164_G	0.641	1.00
29_W	223_S	0.640	1.00
121_L	133_L	0.640	1.00
177_R	181_L	0.638	1.00
272_A	282_V	0.637	1.00
145_R	181_L	0.630	1.00
57_A	306_L	0.629	1.00
16_D	216_G	0.629	1.00
144_A	147_L	0.626	1.00
25_Q	295_A	0.625	1.00
155_V	162_Y	0.624	1.00
51_L	77_I	0.624	1.00
72_D	76_W	0.621	1.00
224_P	287_L	0.619	1.00
321_Q	324_R	0.616	1.00
148_M	178_A	0.615	1.00
50_L	300_A	0.615	1.00
115_R	159_L	0.613	1.00
55_A	88_R	0.613	1.00
277_A	285_A	0.610	1.00
95_I	109_T	0.610	1.00
114_I	150_T	0.608	1.00
271_V	324_R	0.605	1.00
236_R	259_D	0.604	1.00
282_V	325_L	0.603	1.00
16_D	189_P	0.602	1.00
317_L	321_Q	0.602	1.00
175_I	182_A	0.601	1.00
282_V	315_I	0.598	1.00
122_L	130_L	0.598	1.00
272_A	279_P	0.597	1.00
10_G	314_T	0.595	1.00
21_T	61_Y	0.595	1.00
130_L	133_L	0.594	1.00
80_W	84_R	0.592	1.00
271_V	328_A	0.592	1.00
205_E	210_T	0.592	1.00
62_I	81_L	0.591	1.00
229_F	265_H	0.588	1.00
200_V	229_F	0.587	1.00
197_Y	202_R	0.587	1.00
97_W	100_R	0.586	1.00
64_T	73_S	0.585	1.00
288_L	296_P	0.584	1.00
11_F	22_S	0.583	1.00
282_V	321_Q	0.582	1.00
55_A	60_R	0.582	1.00
67_V	96_Y	0.579	1.00
155_V	160_V	0.579	1.00
56_D	303_P	0.578	1.00
63_D	194_Q	0.577	1.00
44_E	76_W	0.577	1.00
182_A	211_F	0.576	1.00
118_I	122_L	0.574	1.00
110_N	147_L	0.574	1.00
263_D	267_V	0.570	1.00
176_A	211_F	0.568	1.00
122_L	129_Y	0.568	1.00
32_G	73_S	0.567	1.00
118_I	150_T	0.567	1.00
14_L	218_A	0.566	1.00
221_P	293_I	0.565	1.00
138_W	168_L	0.564	1.00
197_Y	219_V	0.564	1.00
204_I	209_L	0.561	1.00
55_A	80_W	0.559	1.00
145_R	184_A	0.559	1.00
56_D	84_R	0.558	1.00
262_F	265_H	0.558	1.00
143_T	146_E	0.558	1.00
79_D	82_S	0.557	1.00
272_A	275_V	0.557	1.00
24_L	313_A	0.555	1.00
135_I	147_L	0.554	1.00
33_K	76_W	0.553	1.00
108_G	113_T	0.553	1.00
268_L	272_A	0.553	1.00
169_Q	177_R	0.552	1.00
71_G	124_R	0.552	1.00
133_L	160_V	0.550	1.00
223_S	227_Q	0.550	1.00
95_I	117_R	0.549	1.00
145_R	149_R	0.547	1.00
175_I	217_L	0.546	1.00
122_L	128_E	0.544	1.00
281_Q	315_I	0.543	1.00
155_V	163_L	0.543	1.00
25_Q	297_I	0.540	1.00
165_A	175_I	0.540	1.00
290_R	294_T	0.539	1.00
275_V	315_I	0.538	1.00
74_E	93_S	0.536	1.00
285_A	316_D	0.536	1.00
29_W	227_Q	0.535	1.00
199_L	329_A	0.535	1.00
97_W	137_R	0.535	1.00
61_Y	90_T	0.531	1.00
178_A	181_L	0.528	1.00
75_R	126_G	0.525	1.00
195_P	208_Y	0.525	1.00
197_Y	294_T	0.517	1.00
303_P	306_L	0.517	1.00
69_G	72_D	0.516	1.00
271_V	274_E	0.515	1.00
199_L	286_W	0.514	1.00
26_F	50_L	0.513	1.00
66_D	96_Y	0.512	1.00
177_R	182_A	0.511	1.00
14_L	17_T	0.510	1.00
99_V	113_T	0.510	1.00
133_L	151_L	0.509	1.00
48_H	76_W	0.507	1.00
54_Y	62_I	0.506	1.00
221_P	287_L	0.504	1.00
24_L	312_A	0.502	1.00
14_L	192_V	0.502	1.00
284_L	309_N	0.501	1.00
152_N	185_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
1pyfA	1	0.9256	100	0.127	Contact Map
4xk2A	5	0.8899	100	0.134	Contact Map
3n2tA	1	0.9405	100	0.135	Contact Map
1pz1A	1	0.9375	100	0.139	Contact Map
3v0sA	1	0.8065	100	0.14	Contact Map
1lqaA	2	0.9435	100	0.154	Contact Map
3n6qA	5	0.9077	100	0.156	Contact Map
3erpA	6	0.8988	100	0.159	Contact Map
3eauA	3	0.9345	100	0.163	Contact Map
3lutA	3	0.9345	100	0.166	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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