Q9HSH6 - HALSA - GREMLIN Contacts

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Q9HSH6 - Serine proteinase

UniProt:	Q9HSH6	Sequences: MPSRRDVLRLGAGVLAAGTAGCTDTAPNRVAAAETAATTTRETTTDSRSESPYTAVYRDVIDSVVMIRTQSGQGTGWLYNDTTLVTNAHVVGRSETVNVRFNDGTWETGRVRGTDPNSDLAAVTVTDTPAAATPLALRTASPVAGTEVVAIGNPFALNGTVTTGIISGTNRAIPAPTGYRIPDAVQTDAAVNPGNSGGPLVSLDGDVVAVVNSGGGDNIAFGISAALTDRVVPSLIDTGDYEHAYLGVSFTPVTPTVADANGLTESRGLLVMSVDPSGPSAGRLVGSDATTIVDGGAVRVGGDIVLAVNGTRVHTLEDVLSLLALHTSPGDTVSVRLLRDGDRRTVDVELGARPSG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	356 (293)
Sequences:	8703 (5842)
Seq/√Len:	341.3

ECOLI - DEGP DEGQ DEGS
BACSU - HTRA HTRB YYXA
HALSA - Q9HSH6
SULSO - Q97VL1

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
202_S	206_D	5.464	1.00
307_A	336_R	4.250	1.00
337_L	346_V	3.961	1.00
139_T	226_A	3.635	1.00
309_N	327_T	3.427	1.00
88_A	114_T	3.182	1.00
136_A	206_D	3.124	1.00
332_T	347_D	2.947	1.00
139_T	142_P	2.847	1.00
135_L	207_V	2.841	1.00
334_S	345_T	2.792	1.00
336_R	343_R	2.791	1.00
109_G	123_V	2.481	1.00
63_S	134_P	2.474	1.00
97_V	111_V	2.458	1.00
141_S	226_A	2.455	1.00
110_R	126_T	2.430	1.00
334_S	347_D	2.325	1.00
77_W	210_V	2.276	1.00
122_A	236_I	2.237	1.00
337_L	344_R	2.220	1.00
191_V	220_A	2.147	1.00
98_N	106_W	2.089	1.00
96_T	108_T	2.061	1.00
54_T	146_T	2.018	1.00
306_L	338_L	2.013	1.00
307_A	310_G	2.012	1.00
77_W	199_P	1.996	1.00
107_E	125_V	1.957	1.00
307_A	312_R	1.952	1.00
120_L	210_V	1.943	1.00
314_H	318_D	1.941	1.00
77_W	135_L	1.932	1.00
137_L	225_A	1.932	1.00
166_I	185_V	1.901	1.00
332_T	349_E	1.895	1.00
57_Y	161_V	1.894	1.00
77_W	207_V	1.893	1.00
336_R	345_T	1.849	1.00
246_L	348_V	1.846	1.00
85_V	228_T	1.840	1.00
137_L	229_D	1.821	1.00
277_S	281_A	1.818	1.00
328_S	331_D	1.778	1.00
238_T	242_E	1.770	1.00
249_S	273_S	1.764	1.00
298_V	335_V	1.733	1.00
303_D	339_R	1.724	1.00
234_S	238_T	1.717	1.00
250_F	316_L	1.706	1.00
147_E	163_T	1.692	1.00
85_V	232_V	1.691	1.00
233_P	237_D	1.674	1.00
60_V	201_V	1.620	1.00
298_V	337_L	1.616	1.00
135_L	201_V	1.614	1.00
327_T	350_L	1.606	1.00
252_P	316_L	1.600	1.00
306_L	343_R	1.578	1.00
78_L	132_A	1.569	1.00
199_P	207_V	1.559	1.00
98_N	108_T	1.552	1.00
242_E	352_A	1.525	1.00
245_Y	279_P	1.511	1.00
282_G	351_G	1.507	1.00
60_V	135_L	1.507	1.00
240_D	352_A	1.494	1.00
53_Y	147_E	1.491	1.00
101_F	107_E	1.490	1.00
110_R	124_T	1.489	1.00
327_T	331_D	1.469	1.00
83_T	124_T	1.458	1.00
315_T	318_D	1.451	1.00
311_T	322_L	1.439	1.00
306_L	336_R	1.434	1.00
210_V	228_T	1.416	1.00
127_D	132_A	1.411	1.00
83_T	112_R	1.394	1.00
339_R	344_R	1.391	1.00
229_D	233_P	1.387	1.00
69_T	97_V	1.371	1.00
78_L	101_F	1.369	1.00
267_R	312_R	1.365	1.00
83_T	236_I	1.364	1.00
68_R	100_R	1.349	1.00
76_G	84_L	1.346	1.00
80_N	83_T	1.346	1.00
140_A	226_A	1.333	1.00
308_V	327_T	1.322	1.00
143_V	208_V	1.310	1.00
52_P	146_T	1.307	1.00
79_Y	232_V	1.298	1.00
327_T	333_V	1.280	1.00
170_N	183_D	1.275	1.00
244_A	329_P	1.272	1.00
276_P	281_A	1.268	1.00
147_E	203_L	1.268	1.00
63_S	135_L	1.255	1.00
56_V	201_V	1.251	1.00
338_L	343_R	1.251	1.00
279_P	351_G	1.249	1.00
75_T	199_P	1.241	1.00
298_V	346_V	1.231	1.00
89_H	119_D	1.227	1.00
107_E	127_D	1.217	1.00
89_H	196_S	1.212	1.00
65_V	84_L	1.200	1.00
309_N	334_S	1.198	1.00
115_D	118_S	1.196	1.00
113_G	235_L	1.193	1.00
53_Y	163_T	1.191	1.00
267_R	314_H	1.177	1.00
271_V	298_V	1.167	1.00
138_R	225_A	1.164	1.00
53_Y	149_V	1.163	1.00
150_A	200_L	1.158	1.00
84_L	125_V	1.147	1.00
65_V	76_G	1.143	1.00
88_A	92_G	1.142	1.00
245_Y	275_D	1.128	1.00
59_D	136_A	1.127	1.00
275_D	278_G	1.124	1.00
144_A	169_T	1.122	1.00
169_T	185_V	1.119	1.00
187_T	200_L	1.118	1.00
143_V	166_I	1.117	1.00
143_V	185_V	1.117	1.00
155_F	216_G	1.117	1.00
149_V	203_L	1.109	1.00
309_N	322_L	1.105	1.00
56_V	149_V	1.093	1.00
273_S	301_G	1.093	1.00
308_V	335_V	1.086	1.00
100_R	106_W	1.075	1.00
67_I	123_V	1.069	1.00
270_L	302_G	1.062	1.00
333_V	350_L	1.057	1.00
94_S	97_V	1.052	1.00
83_T	122_A	1.049	1.00
52_P	55_A	1.044	1.00
308_V	319_V	1.041	1.00
233_P	236_I	1.032	1.00
200_L	211_V	1.027	1.00
150_A	211_V	1.015	1.00
232_V	236_I	1.011	1.00
111_V	114_T	1.009	1.00
254_T	257_V	1.000	1.00
138_R	143_V	0.997	1.00
67_I	99_V	0.996	1.00
128_T	131_A	0.994	1.00
101_F	105_T	0.993	1.00
274_V	278_G	0.986	1.00
80_N	236_I	0.986	1.00
148_V	166_I	0.983	1.00
117_N	353_R	0.981	1.00
57_Y	149_V	0.975	1.00
155_F	217_D	0.957	1.00
252_P	315_T	0.951	1.00
118_S	231_V	0.942	1.00
89_H	194_G	0.941	1.00
191_V	211_V	0.941	1.00
153_N	158_N	0.935	1.00
118_S	243_H	0.935	1.00
338_L	341_G	0.934	1.00
127_D	131_A	0.934	1.00
271_V	305_V	0.933	1.00
60_V	151_I	0.931	1.00
247_G	279_P	0.928	1.00
313_V	322_L	0.927	1.00
74_G	90_V	0.927	1.00
88_A	116_P	0.927	1.00
63_S	133_T	0.924	1.00
244_A	350_L	0.920	1.00
161_V	165_I	0.918	1.00
230_R	234_S	0.916	1.00
82_T	124_T	0.914	1.00
137_L	207_V	0.908	1.00
56_V	60_V	0.907	1.00
308_V	333_V	0.905	1.00
62_D	133_T	0.904	1.00
228_T	232_V	0.903	1.00
115_D	243_H	0.902	1.00
99_V	125_V	0.900	1.00
112_R	124_T	0.900	1.00
53_Y	57_Y	0.899	1.00
251_T	272_M	0.894	1.00
119_D	196_S	0.877	1.00
299_R	339_R	0.875	1.00
57_Y	61_I	0.865	1.00
148_V	203_L	0.862	1.00
310_G	334_S	0.847	1.00
245_Y	353_R	0.841	1.00
69_T	73_Q	0.836	1.00
308_V	323_L	0.835	1.00
81_D	124_T	0.835	1.00
335_V	346_V	0.834	1.00
175_A	178_G	0.828	1.00
250_F	269_L	0.828	1.00
274_V	301_G	0.819	1.00
231_V	235_L	0.818	1.00
101_F	125_V	0.817	1.00
282_G	297_A	0.817	1.00
61_I	159_G	0.813	1.00
87_N	223_I	0.808	1.00
92_G	116_P	0.808	1.00
249_S	275_D	0.803	1.00
148_V	208_V	0.800	1.00
84_L	123_V	0.799	1.00
99_V	109_G	0.797	1.00
268_G	304_I	0.797	1.00
120_L	232_V	0.795	1.00
189_A	220_A	0.794	1.00
274_V	281_A	0.788	1.00
55_A	59_D	0.786	1.00
171_R	186_Q	0.783	1.00
66_M	72_G	0.781	1.00
329_P	351_G	0.781	1.00
113_G	122_A	0.780	1.00
59_D	133_T	0.778	1.00
143_V	169_T	0.776	1.00
335_V	348_V	0.774	1.00
186_Q	221_F	0.771	1.00
269_L	313_V	0.764	1.00
250_F	319_V	0.762	1.00
299_R	340_D	0.762	1.00
248_V	269_L	0.758	1.00
79_Y	122_A	0.758	1.00
251_T	257_V	0.757	1.00
173_I	184_A	0.754	1.00
275_D	281_A	0.753	1.00
200_L	222_G	0.753	1.00
90_V	196_S	0.744	1.00
255_P	259_D	0.742	0.99
246_L	335_V	0.741	0.99
61_I	102_N	0.738	0.99
249_S	272_M	0.738	0.99
79_Y	236_I	0.736	0.99
225_A	229_D	0.731	0.99
282_G	296_G	0.729	0.99
207_V	225_A	0.725	0.99
66_M	153_N	0.722	0.99
175_A	184_A	0.716	0.99
80_N	134_P	0.716	0.99
87_N	119_D	0.715	0.99
122_A	232_V	0.715	0.99
122_A	235_L	0.714	0.99
79_Y	85_V	0.712	0.99
253_V	266_S	0.711	0.99
49_S	52_P	0.706	0.99
77_W	85_V	0.706	0.99
322_L	327_T	0.705	0.99
64_V	199_P	0.702	0.99
251_T	270_L	0.701	0.99
234_S	239_G	0.700	0.99
56_V	59_D	0.699	0.99
49_S	147_E	0.696	0.99
69_T	72_G	0.694	0.99
264_T	338_L	0.694	0.99
296_G	348_V	0.693	0.99
339_R	342_D	0.692	0.99
253_V	263_L	0.692	0.99
154_P	157_L	0.690	0.99
119_D	194_G	0.688	0.99
307_A	343_R	0.684	0.99
87_N	90_V	0.682	0.99
337_L	345_T	0.681	0.99
192_N	195_N	0.680	0.99
87_N	211_V	0.679	0.99
225_A	228_T	0.675	0.99
309_N	333_V	0.675	0.99
78_L	134_P	0.671	0.99
138_R	142_P	0.668	0.99
257_V	260_A	0.668	0.99
97_V	123_V	0.667	0.99
199_P	211_V	0.666	0.99
244_A	331_D	0.666	0.99
318_D	322_L	0.665	0.99
246_L	350_L	0.664	0.99
342_D	347_D	0.664	0.99
125_V	128_T	0.663	0.99
69_T	94_S	0.661	0.99
322_L	325_L	0.661	0.99
108_T	126_T	0.660	0.99
78_L	125_V	0.659	0.99
163_T	188_D	0.658	0.99
280_S	296_G	0.658	0.99
238_T	241_Y	0.658	0.99
113_G	231_V	0.655	0.99
183_D	227_L	0.654	0.99
171_R	221_F	0.649	0.99
252_P	269_L	0.649	0.99
277_S	282_G	0.646	0.99
190_A	216_G	0.645	0.99
211_V	222_G	0.645	0.99
155_F	214_G	0.644	0.99
339_R	346_V	0.640	0.99
153_N	156_A	0.638	0.98
149_V	161_V	0.637	0.98
68_R	73_Q	0.634	0.98
278_G	281_A	0.634	0.98
195_N	198_G	0.634	0.98
234_S	237_D	0.633	0.98
142_P	226_A	0.633	0.98
179_Y	182_P	0.630	0.98
273_S	276_P	0.628	0.98
52_P	147_E	0.627	0.98
313_V	335_V	0.622	0.98
66_M	73_Q	0.620	0.98
167_S	186_Q	0.620	0.98
305_V	313_V	0.620	0.98
56_V	135_L	0.619	0.98
332_T	350_L	0.618	0.98
148_V	163_T	0.616	0.98
78_L	84_L	0.612	0.98
234_S	241_Y	0.612	0.98
81_D	134_P	0.606	0.98
246_L	319_V	0.604	0.98
146_T	202_S	0.604	0.98
91_V	114_T	0.603	0.98
149_V	163_T	0.601	0.98
274_V	297_A	0.600	0.98
174_P	179_Y	0.599	0.98
68_R	106_W	0.595	0.98
139_T	229_D	0.595	0.98
140_A	143_V	0.594	0.98
320_L	323_L	0.594	0.98
333_V	348_V	0.592	0.98
271_V	346_V	0.591	0.98
91_V	97_V	0.590	0.97
254_T	258_A	0.588	0.97
46_D	49_S	0.586	0.97
323_L	327_T	0.586	0.97
68_R	98_N	0.583	0.97
84_L	132_A	0.582	0.97
242_E	350_L	0.580	0.97
84_L	99_V	0.580	0.97
250_F	320_L	0.579	0.97
131_A	134_P	0.579	0.97
257_V	261_N	0.577	0.97
299_R	303_D	0.576	0.97
175_A	182_P	0.575	0.97
50_E	54_T	0.575	0.97
85_V	120_L	0.574	0.97
51_S	55_A	0.572	0.97
87_N	196_S	0.571	0.97
216_G	219_I	0.571	0.97
172_A	184_A	0.571	0.97
252_P	317_E	0.570	0.97
148_V	200_L	0.570	0.97
52_P	203_L	0.569	0.97
258_A	263_L	0.568	0.97
66_M	158_N	0.567	0.97
137_L	232_V	0.567	0.97
202_S	208_V	0.567	0.97
182_P	212_N	0.567	0.97
245_Y	250_F	0.566	0.97
120_L	225_A	0.566	0.97
157_L	219_I	0.566	0.97
175_A	213_S	0.564	0.97
318_D	321_S	0.564	0.97
51_S	54_T	0.563	0.97
180_R	320_L	0.562	0.97
344_R	347_D	0.561	0.97
69_T	95_E	0.561	0.97
226_A	229_D	0.560	0.97
105_T	127_D	0.560	0.97
184_A	212_N	0.559	0.97
310_G	336_R	0.558	0.97
80_N	124_T	0.557	0.96
309_N	331_D	0.556	0.96
138_R	141_S	0.556	0.96
107_E	132_A	0.555	0.96
62_D	102_N	0.555	0.96
186_Q	192_N	0.554	0.96
92_G	114_T	0.553	0.96
122_A	170_N	0.553	0.96
331_D	350_L	0.553	0.96
55_A	58_R	0.552	0.96
162_T	195_N	0.552	0.96
214_G	217_D	0.550	0.96
320_L	324_A	0.550	0.96
299_R	344_R	0.550	0.96
235_L	241_Y	0.549	0.96
67_I	109_G	0.548	0.96
235_L	244_A	0.547	0.96
209_A	222_G	0.547	0.96
192_N	218_N	0.546	0.96
86_T	121_A	0.546	0.96
151_I	201_V	0.546	0.96
118_S	227_L	0.545	0.96
282_G	349_E	0.544	0.96
230_R	233_P	0.543	0.96
89_H	186_Q	0.540	0.96
53_Y	161_V	0.536	0.96
75_T	154_P	0.535	0.96
87_N	195_N	0.534	0.96
67_I	76_G	0.533	0.95
46_D	50_E	0.532	0.95
248_V	298_V	0.532	0.95
258_A	261_N	0.531	0.95
269_L	316_L	0.531	0.95
256_T	260_A	0.529	0.95
140_A	225_A	0.527	0.95
77_W	120_L	0.526	0.95
308_V	322_L	0.525	0.95
181_I	324_A	0.524	0.95
73_Q	153_N	0.524	0.95
167_S	192_N	0.523	0.95
280_S	297_A	0.522	0.95
57_Y	151_I	0.522	0.95
279_P	296_G	0.521	0.95
185_V	200_L	0.521	0.95
144_A	161_V	0.520	0.95
258_A	262_G	0.519	0.95
187_T	222_G	0.518	0.95
311_T	325_L	0.518	0.95
54_T	57_Y	0.517	0.95
66_M	159_G	0.516	0.95
74_G	196_S	0.514	0.95
263_L	304_I	0.514	0.95
79_Y	137_L	0.513	0.94
50_E	146_T	0.513	0.94
82_T	132_A	0.513	0.94
316_L	320_L	0.513	0.94
44_T	47_S	0.512	0.94
87_N	199_P	0.512	0.94
253_V	304_I	0.512	0.94
90_V	194_G	0.512	0.94
230_R	325_L	0.511	0.94
118_S	241_Y	0.510	0.94
61_I	158_N	0.510	0.94
101_F	132_A	0.508	0.94
54_T	58_R	0.506	0.94
155_F	219_I	0.506	0.94
167_S	195_N	0.505	0.94
153_N	213_S	0.505	0.94
91_V	121_A	0.505	0.94
263_L	338_L	0.503	0.94
274_V	280_S	0.501	0.94
105_T	131_A	0.500	0.94

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
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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
1ky9A	5	0.8006	100	0.323	Contact Map
3pv2A	6	0.7809	100	0.338	Contact Map
3stjA	6	0.8062	100	0.34	Contact Map
4a8cA	5	0.8146	100	0.351	Contact Map
1lcyA	3	0.7781	100	0.38	Contact Map
4ic6A	4	0.8427	100	0.387	Contact Map
3qo6A	5	0.8315	100	0.388	Contact Map
4flnA	5	0.7921	100	0.395	Contact Map
4ri0A	3	0.809	100	0.396	Contact Map
1te0A	6	0.8315	100	0.396	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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