Q9HSM1 - HALSA - GREMLIN Contacts

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Q9HSM1 - Hydrogenase expression/formation

UniProt:	Q9HSM1	Sequences: MDDGKAGRGFFDDHIAGRTGADRDDVRLGPTYGADFGVVAIADSVVAMATDPVFVLRALGIERAAWFAFHICVSDVALSGLSPAHLAVDLNLPPDTATETFDAIWEVFDREARALGVSLTTGHTGTYEGCSFPTVGGATALAVGAAEDVVTPTGAQPGDRVVVTKGPAVETTGMLGVLFGDRLPISAAAAAAARDRFADATPVRDAATMAAAGEVTAMHDATERGLANGLHELAAASGVGLSVARDAVPVLPGVRAVCEQFGMDAWAASSEGTVIAAVDPGSVDAVLGALGDEGIPAADVGVVEAGSGVTVDGDPLAEPAADPLWPAYRTARSRYGDDA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	339 (293)
Sequences:	14721 (9391)
Seq/√Len:	548.6

ECOLI - HYPE SELD THIL
BACSU - THIL PURL
HALSA - Q9HSM1 THIL Q9HHP1 PURL
SULSO - Q97VC5 Q7LY06 Q980P9 PURL

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
160_R	299_D	3.247	1.00
242_S	302_V	3.086	1.00
242_S	304_E	2.990	1.00
278_V	286_V	2.709	1.00
282_S	285_A	2.659	1.00
157_P	305_A	2.630	1.00
159_D	216_T	2.462	1.00
160_R	302_V	2.422	1.00
62_E	110_R	2.393	1.00
214_E	282_S	2.383	1.00
244_A	247_A	2.381	1.00
47_A	81_L	2.320	1.00
160_R	283_V	2.279	1.00
234_A	241_L	2.254	1.00
216_T	279_D	2.239	1.00
62_E	103_A	2.227	1.00
103_A	106_E	2.226	1.00
162_V	299_D	2.184	1.00
161_V	277_A	2.163	1.00
239_V	303_V	2.132	1.00
40_A	146_A	2.127	1.00
162_V	287_L	2.116	1.00
283_V	299_D	2.073	1.00
230_L	241_L	2.066	1.00
109_D	113_R	2.041	1.00
279_D	282_S	1.998	1.00
240_G	304_E	1.993	1.00
287_L	297_A	1.954	1.00
162_V	297_A	1.917	1.00
62_E	106_E	1.897	1.00
283_V	287_L	1.880	1.00
171_T	174_M	1.813	1.00
157_P	239_V	1.805	1.00
230_L	243_V	1.804	1.00
240_G	306_G	1.800	1.00
242_S	310_T	1.785	1.00
61_I	134_T	1.780	1.00
160_R	280_P	1.779	1.00
84_A	143_V	1.751	1.00
162_V	278_V	1.750	1.00
280_P	302_V	1.734	1.00
49_A	140_A	1.730	1.00
72_C	140_A	1.723	1.00
284_D	288_G	1.721	1.00
76_V	81_L	1.718	1.00
233_L	277_A	1.697	1.00
66_W	111_E	1.690	1.00
161_V	241_L	1.685	1.00
162_V	283_V	1.649	1.00
45_V	146_A	1.646	1.00
44_S	147_E	1.638	1.00
212_A	289_A	1.610	1.00
285_A	288_G	1.598	1.00
110_R	113_R	1.569	1.00
216_T	277_A	1.566	1.00
48_M	87_A	1.560	1.00
155_A	217_A	1.558	1.00
205_D	290_L	1.551	1.00
156_Q	279_D	1.550	1.00
38_V	47_A	1.546	1.00
21_A	113_R	1.536	1.00
299_D	302_V	1.526	1.00
241_L	303_V	1.482	1.00
106_E	110_R	1.470	1.00
27_R	45_V	1.469	1.00
269_S	272_G	1.466	1.00
110_R	114_A	1.458	1.00
23_R	26_V	1.442	1.00
159_D	279_D	1.421	1.00
156_Q	216_T	1.401	1.00
44_S	146_A	1.395	1.00
88_V	108_F	1.390	1.00
218_M	276_A	1.389	1.00
290_L	297_A	1.382	1.00
217_A	233_L	1.382	1.00
63_R	198_A	1.380	1.00
288_G	292_D	1.380	1.00
155_A	277_A	1.379	1.00
169_V	177_V	1.371	1.00
230_L	275_I	1.365	1.00
268_A	271_E	1.364	1.00
82_S	207_A	1.351	1.00
287_L	299_D	1.340	1.00
63_R	66_W	1.339	1.00
36_F	79_S	1.330	1.00
268_A	272_G	1.324	1.00
90_L	101_F	1.322	1.00
76_V	140_A	1.320	1.00
155_A	303_V	1.319	1.00
87_A	121_T	1.318	1.00
150_V	218_M	1.317	1.00
209_M	286_V	1.313	1.00
91_N	127_Y	1.307	1.00
63_R	107_V	1.294	1.00
162_V	286_V	1.291	1.00
14_H	102_D	1.287	1.00
266_W	271_E	1.286	1.00
284_D	287_L	1.286	1.00
111_E	114_A	1.281	1.00
287_L	291_G	1.274	1.00
169_V	251_L	1.263	1.00
144_G	149_V	1.254	1.00
277_A	303_V	1.252	1.00
48_M	141_L	1.247	1.00
166_G	169_V	1.243	1.00
37_G	120_T	1.234	1.00
289_A	293_E	1.232	1.00
285_A	289_A	1.231	1.00
173_G	178_L	1.227	1.00
145_A	148_D	1.223	1.00
244_A	302_V	1.218	1.00
69_F	108_F	1.214	1.00
159_D	303_V	1.210	1.00
85_H	120_T	1.205	1.00
221_A	275_I	1.203	1.00
190_A	198_A	1.202	1.00
44_S	145_A	1.196	1.00
23_R	27_R	1.196	1.00
50_T	89_D	1.195	1.00
78_L	218_M	1.192	1.00
45_V	149_V	1.190	1.00
218_M	274_V	1.178	1.00
69_F	86_L	1.170	1.00
202_P	273_T	1.160	1.00
82_S	204_R	1.152	1.00
221_A	229_G	1.151	1.00
240_G	307_S	1.136	1.00
50_T	139_T	1.123	1.00
42_A	143_V	1.123	1.00
36_F	47_A	1.119	1.00
68_A	136_G	1.116	1.00
38_V	149_V	1.111	1.00
112_A	119_L	1.111	1.00
173_G	177_V	1.108	1.00
66_W	114_A	1.106	1.00
26_V	30_P	1.101	1.00
45_V	144_G	1.101	1.00
61_I	100_T	1.101	1.00
289_A	292_D	1.083	1.00
148_D	211_A	1.077	1.00
26_V	29_G	1.070	1.00
73_V	140_A	1.051	1.00
203_V	207_A	1.042	1.00
174_M	178_L	1.040	1.00
60_G	63_R	1.039	1.00
266_W	272_G	1.038	1.00
86_L	140_A	1.037	1.00
161_V	275_I	1.034	1.00
278_V	283_V	1.029	1.00
160_R	278_V	1.022	1.00
217_A	277_A	1.020	1.00
47_A	76_V	1.020	1.00
70_H	111_E	1.015	1.00
171_T	176_G	1.012	1.00
18_R	106_E	1.011	1.00
92_L	101_F	1.010	1.00
27_R	30_P	1.004	1.00
288_G	291_G	0.999	1.00
212_A	285_A	0.997	1.00
190_A	194_R	0.994	1.00
267_A	272_G	0.994	1.00
219_H	232_E	0.993	1.00
87_A	139_T	0.992	1.00
185_I	188_A	0.990	1.00
49_A	76_V	0.988	1.00
286_V	289_A	0.983	1.00
97_A	100_T	0.969	1.00
48_M	139_T	0.968	1.00
208_T	293_E	0.966	1.00
226_L	275_I	0.965	1.00
73_V	117_V	0.964	1.00
154_G	216_T	0.963	1.00
155_A	233_L	0.956	1.00
23_R	82_S	0.953	1.00
69_F	112_A	0.943	1.00
193_A	196_R	0.941	1.00
41_I	143_V	0.941	1.00
181_D	184_P	0.938	1.00
34_A	79_S	0.935	1.00
206_A	276_A	0.935	1.00
186_S	189_A	0.931	1.00
208_T	212_A	0.930	1.00
267_A	270_S	0.930	1.00
66_W	110_R	0.926	1.00
173_G	176_G	0.922	1.00
206_A	210_A	0.918	1.00
192_A	196_R	0.915	1.00
151_T	155_A	0.913	1.00
265_A	269_S	0.911	1.00
250_V	255_R	0.906	1.00
205_D	208_T	0.893	1.00
151_T	154_G	0.891	1.00
82_S	211_A	0.889	1.00
69_F	73_V	0.889	1.00
148_D	213_G	0.888	1.00
23_R	30_P	0.882	1.00
276_A	286_V	0.879	1.00
171_T	175_L	0.878	1.00
266_W	270_S	0.878	1.00
249_P	298_A	0.877	1.00
65_A	107_V	0.875	1.00
171_T	177_V	0.866	1.00
230_L	234_A	0.865	1.00
13_D	17_G	0.863	1.00
92_L	104_I	0.862	1.00
85_H	141_L	0.859	1.00
255_R	259_E	0.858	1.00
47_A	144_G	0.856	1.00
159_D	277_A	0.856	1.00
180_G	183_L	0.851	1.00
66_W	70_H	0.850	1.00
40_A	45_V	0.849	1.00
208_T	289_A	0.844	1.00
219_H	275_I	0.844	1.00
175_L	178_L	0.834	1.00
164_T	205_D	0.833	1.00
192_A	195_D	0.832	1.00
108_F	138_A	0.829	1.00
15_I	19_T	0.827	1.00
85_H	118_S	0.826	1.00
69_F	111_E	0.825	1.00
13_D	16_A	0.821	1.00
286_V	290_L	0.816	1.00
112_A	117_V	0.814	1.00
158_G	302_V	0.813	1.00
115_L	201_T	0.811	1.00
52_P	89_D	0.810	1.00
174_M	177_V	0.808	1.00
242_S	245_R	0.808	1.00
161_V	303_V	0.806	1.00
35_D	219_H	0.806	1.00
291_G	296_P	0.805	1.00
27_R	40_A	0.804	1.00
52_P	137_G	0.803	1.00
67_F	271_E	0.799	1.00
24_D	27_R	0.796	1.00
86_L	138_A	0.795	1.00
40_A	44_S	0.794	1.00
38_V	79_S	0.792	1.00
156_Q	159_D	0.792	1.00
157_P	304_E	0.788	1.00
234_A	303_V	0.787	1.00
73_V	111_E	0.784	1.00
164_T	274_V	0.783	1.00
256_A	259_E	0.782	1.00
213_G	289_A	0.780	1.00
234_A	309_V	0.776	1.00
68_A	138_A	0.774	1.00
190_A	195_D	0.772	1.00
94_P	126_T	0.768	1.00
150_V	210_A	0.768	1.00
39_V	85_H	0.768	1.00
226_L	230_L	0.768	1.00
28_L	151_T	0.765	1.00
157_P	160_R	0.764	1.00
191_A	194_R	0.764	1.00
101_F	126_T	0.763	1.00
208_T	292_D	0.757	1.00
155_A	237_S	0.753	1.00
229_G	275_I	0.753	1.00
104_I	108_F	0.751	1.00
78_L	274_V	0.750	1.00
167_P	170_E	0.746	1.00
100_T	104_I	0.745	1.00
60_G	194_R	0.737	1.00
258_C	265_A	0.736	1.00
86_L	108_F	0.735	1.00
270_S	273_T	0.731	1.00
204_R	208_T	0.730	1.00
189_A	192_A	0.729	1.00
45_V	145_A	0.726	1.00
102_D	106_E	0.725	1.00
25_D	40_A	0.724	1.00
280_P	283_V	0.724	1.00
221_A	273_T	0.722	1.00
82_S	116_G	0.719	1.00
65_A	104_I	0.719	1.00
265_A	271_E	0.719	1.00
213_G	286_V	0.719	1.00
81_L	144_G	0.716	1.00
98_T	102_D	0.716	1.00
265_A	268_A	0.715	1.00
38_V	45_V	0.714	1.00
180_G	184_P	0.710	1.00
150_V	215_V	0.709	1.00
34_A	152_P	0.708	1.00
214_E	285_A	0.708	1.00
91_N	125_G	0.706	1.00
265_A	270_S	0.702	1.00
170_E	270_S	0.700	1.00
25_D	30_P	0.700	1.00
65_A	108_F	0.699	1.00
86_L	112_A	0.699	1.00
267_A	271_E	0.693	1.00
265_A	272_G	0.691	1.00
172_T	175_L	0.691	1.00
164_T	276_A	0.691	1.00
176_G	179_F	0.690	1.00
132_F	135_V	0.689	1.00
240_G	308_G	0.687	1.00
99_E	103_A	0.687	1.00
146_A	149_V	0.687	1.00
14_H	18_R	0.687	1.00
221_A	226_L	0.685	1.00
25_D	39_V	0.683	1.00
16_A	19_T	0.681	1.00
195_D	199_D	0.678	1.00
57_R	130_C	0.677	1.00
228_N	232_E	0.672	1.00
45_V	147_E	0.670	1.00
247_A	298_A	0.670	1.00
89_D	137_G	0.668	1.00
234_A	237_S	0.662	1.00
96_T	101_F	0.662	1.00
175_L	179_F	0.661	1.00
169_V	195_D	0.660	1.00
206_A	274_V	0.659	1.00
228_N	267_A	0.658	1.00
195_D	198_A	0.657	1.00
188_A	191_A	0.657	1.00
56_L	67_F	0.656	1.00
194_R	197_F	0.656	1.00
82_S	143_V	0.655	1.00
196_R	199_D	0.654	1.00
53_V	71_I	0.650	1.00
23_R	28_L	0.650	1.00
53_V	68_A	0.650	1.00
191_A	195_D	0.650	1.00
205_D	295_I	0.649	1.00
205_D	293_E	0.647	1.00
77_A	207_A	0.644	1.00
193_A	197_F	0.644	1.00
15_I	18_R	0.640	1.00
26_V	118_S	0.640	1.00
162_V	276_A	0.639	1.00
25_D	28_L	0.639	1.00
171_T	178_L	0.639	1.00
100_T	103_A	0.635	1.00
238_G	306_G	0.633	1.00
284_D	299_D	0.631	1.00
266_W	269_S	0.626	1.00
164_T	290_L	0.626	1.00
24_D	30_P	0.624	1.00
49_A	72_C	0.623	1.00
23_R	118_S	0.622	1.00
50_T	137_G	0.621	1.00
128_E	133_P	0.620	1.00
62_E	107_V	0.619	1.00
18_R	21_A	0.618	1.00
187_A	190_A	0.617	1.00
26_V	120_T	0.617	1.00
52_P	91_N	0.617	1.00
86_L	119_L	0.617	1.00
127_Y	131_S	0.616	1.00
163_V	249_P	0.613	1.00
206_A	209_M	0.611	1.00
36_F	49_A	0.610	1.00
104_I	136_G	0.608	1.00
170_E	196_R	0.607	1.00
154_G	161_V	0.606	1.00
90_L	136_G	0.603	1.00
96_T	100_T	0.599	1.00
39_V	48_M	0.599	1.00
165_K	298_A	0.597	1.00
152_P	236_A	0.596	1.00
61_I	103_A	0.596	1.00
58_A	133_P	0.596	1.00
88_V	105_W	0.595	1.00
66_W	193_A	0.594	1.00
60_G	103_A	0.594	1.00
169_V	174_M	0.593	1.00
24_D	28_L	0.593	1.00
72_C	138_A	0.592	1.00
30_P	33_G	0.591	1.00
201_T	204_R	0.590	1.00
213_G	282_S	0.590	1.00
173_G	179_F	0.590	1.00
161_V	243_V	0.589	1.00
159_D	280_P	0.587	1.00
208_T	211_A	0.585	1.00
286_V	297_A	0.584	1.00
252_P	255_R	0.580	0.99
187_A	191_A	0.576	0.99
170_E	173_G	0.572	0.99
172_T	178_L	0.572	0.99
40_A	43_D	0.571	0.99
73_V	115_L	0.570	0.99
304_E	307_S	0.570	0.99
185_I	189_A	0.569	0.99
48_M	85_H	0.569	0.99
165_K	296_P	0.568	0.99
228_N	231_H	0.565	0.99
220_D	232_E	0.565	0.99
57_R	104_I	0.564	0.99
50_T	87_A	0.562	0.99
189_A	193_A	0.561	0.99
219_H	233_L	0.559	0.99
155_A	216_T	0.559	0.99
185_I	192_A	0.559	0.99
155_A	239_V	0.556	0.99
64_A	104_I	0.555	0.99
91_N	135_V	0.554	0.99
210_A	218_M	0.553	0.99
14_H	17_G	0.552	0.99
77_A	203_V	0.552	0.99
114_A	200_A	0.551	0.99
114_A	204_R	0.551	0.99
304_E	310_T	0.550	0.99
188_A	256_A	0.549	0.99
306_G	310_T	0.548	0.99
278_V	282_S	0.547	0.99
190_A	193_A	0.546	0.99
239_V	305_A	0.546	0.99
87_A	120_T	0.544	0.99
75_D	220_D	0.540	0.99
245_R	266_W	0.539	0.99
214_E	279_D	0.537	0.99
51_D	75_D	0.536	0.99
209_M	290_L	0.535	0.99
249_P	255_R	0.533	0.99
161_V	165_K	0.528	0.99
231_H	235_A	0.527	0.99
70_H	201_T	0.527	0.99
163_V	167_P	0.525	0.99
160_R	281_G	0.525	0.99
172_T	177_V	0.525	0.99
23_R	39_V	0.522	0.99
283_V	297_A	0.519	0.99
18_R	102_D	0.516	0.99
251_L	296_P	0.513	0.99
284_D	291_G	0.513	0.99
46_V	141_L	0.512	0.99
214_E	289_A	0.512	0.99
92_L	100_T	0.511	0.99
204_R	207_A	0.510	0.99
14_H	19_T	0.507	0.99
255_R	258_C	0.505	0.99
166_G	296_P	0.505	0.99
150_V	154_G	0.500	0.98
35_D	220_D	0.500	0.98

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
3viuA	1	0.941	100	0.289	Contact Map
2yxzA	2	0.8732	100	0.293	Contact Map
3c9uA	2	0.8791	100	0.297	Contact Map
3wjpA	2	0.9263	100	0.3	Contact Map
3fd5A	2	0.9115	100	0.302	Contact Map
2btuA	2	0.885	100	0.305	Contact Map
3mcqA	2	0.8584	100	0.305	Contact Map
2z01A	2	0.8555	100	0.306	Contact Map
2rb9A	2	0.9145	100	0.311	Contact Map
2zodA	2	0.8525	100	0.314	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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