HTPX - HALSA - GREMLIN Contacts

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HTPX - Protease HtpX homolog

UniProt:	Q9HSQ2	Sequences: MAIVGTILFAFYSVAIAAAWFFFGQNQTILAIAIVGSVVLVGVQYKVGKWMALRSVGAEDMDEQEFPRIHRRVESLSRDMGIKKPTLKVANMGVPNAFAVGRKGNGTVVVSRELIDILEHEELDGVLAHELSHIANRDVVTMQLGQGIASIVGIVAQYIVLFSGDNDLADFFLAIVVGNLVQFLVTLFVLAISRYREYVADADARRAIGTGEPLARALEKISQGNEQAAQQQRQRTSRGRGRRQRGQRNDDGLDQQVSALCISSPDTSVLQKLVSTHPPTEKRIQRLRS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	289 (252)
Sequences:	4766 (3382)
Seq/√Len:	213.0

ECOLI - HTPX LOIP YCAL
BACSU - YHFN HTPX YXKI
HALSA - HTPX Q9HSA2 Q9HS47
SULSO - HTPX2 HTPX1 Q97VD5

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
219_E	288_R	4.412	1.00
75_S	124_D	4.329	1.00
132_S	203_D	4.154	1.00
122_E	220_K	3.935	1.00
91_N	112_R	3.930	1.00
63_E	74_E	3.663	1.00
121_E	210_T	3.381	1.00
128_A	204_A	3.136	1.00
68_R	120_H	3.073	1.00
205_R	287_L	2.870	1.00
110_V	127_L	2.816	1.00
198_Y	282_K	2.775	1.00
202_A	206_R	2.448	1.00
215_A	284_I	2.296	1.00
72_R	124_D	2.260	1.00
204_A	208_I	2.253	1.00
58_A	88_K	2.231	1.00
70_H	84_K	2.173	1.00
62_D	65_E	2.123	1.00
80_M	207_A	2.110	1.00
121_E	213_P	2.072	1.00
222_S	281_E	2.020	1.00
219_E	284_I	1.986	1.00
35_V	39_V	1.986	1.00
282_K	285_Q	1.967	1.00
208_I	213_P	1.960	1.00
59_E	91_N	1.956	1.00
119_E	220_K	1.939	1.00
138_D	199_V	1.934	1.00
122_E	216_R	1.915	1.00
222_S	280_T	1.874	1.00
39_V	43_V	1.874	1.00
74_E	78_R	1.840	1.00
73_V	87_L	1.826	1.00
74_E	84_K	1.824	1.00
119_E	216_R	1.795	1.00
117_I	224_G	1.786	1.00
12_Y	16_I	1.786	1.00
210_T	213_P	1.757	1.00
157_Q	160_V	1.719	1.00
279_P	282_K	1.679	1.00
7_I	12_Y	1.678	1.00
60_D	86_T	1.635	1.00
50_W	54_R	1.622	1.00
114_L	123_L	1.620	1.00
16_I	20_W	1.609	1.00
98_F	109_V	1.567	1.00
159_I	162_F	1.551	1.00
72_R	120_H	1.520	1.00
33_A	154_I	1.511	1.00
67_P	70_H	1.452	1.00
186_T	190_L	1.435	1.00
138_D	196_R	1.427	1.00
212_E	288_R	1.425	1.00
165_D	170_D	1.425	1.00
20_W	24_G	1.421	1.00
60_D	88_K	1.413	1.00
71_R	75_S	1.398	1.00
118_L	221_I	1.394	1.00
71_R	74_E	1.394	1.00
68_R	71_R	1.380	1.00
76_L	131_L	1.362	1.00
137_R	140_V	1.354	1.00
112_R	116_D	1.345	1.00
272_K	282_K	1.344	1.00
125_G	214_L	1.335	1.00
20_W	23_F	1.333	1.00
99_A	108_V	1.309	1.00
41_V	44_Q	1.298	1.00
106_G	134_I	1.289	1.00
16_I	23_F	1.272	1.00
70_H	74_E	1.267	1.00
133_H	197_E	1.261	1.00
161_L	164_G	1.260	1.00
156_A	159_I	1.259	1.00
158_Y	162_F	1.258	1.00
76_L	207_A	1.254	1.00
8_L	20_W	1.220	1.00
142_M	196_R	1.207	1.00
88_K	107_T	1.205	1.00
195_Y	199_V	1.202	1.00
130_E	197_E	1.187	1.00
47_V	51_M	1.178	1.00
66_F	89_V	1.178	1.00
136_N	203_D	1.171	1.00
124_D	210_T	1.165	1.00
129_H	197_E	1.162	1.00
285_Q	288_R	1.156	1.00
9_F	13_S	1.156	1.00
174_A	178_G	1.144	1.00
198_Y	286_R	1.135	1.00
17_A	20_W	1.132	1.00
43_V	47_V	1.130	1.00
136_N	199_V	1.129	1.00
115_I	123_L	1.129	1.00
93_G	116_D	1.128	1.00
48_G	53_L	1.125	1.00
157_Q	161_L	1.119	1.00
202_A	286_R	1.116	1.00
12_Y	15_A	1.111	1.00
13_S	17_A	1.106	1.00
282_K	286_R	1.106	1.00
129_H	133_H	1.100	1.00
42_G	46_K	1.093	1.00
11_F	15_A	1.079	1.00
59_E	65_E	1.079	1.00
212_E	215_A	1.077	1.00
8_L	12_Y	1.076	1.00
67_P	71_R	1.073	1.00
110_V	114_L	1.067	1.00
82_I	131_L	1.062	1.00
121_E	216_R	1.057	1.00
38_V	147_G	1.044	1.00
171_F	174_A	1.043	1.00
14_V	23_F	1.041	1.00
8_L	16_I	1.037	1.00
275_S	279_P	1.035	1.00
7_I	11_F	1.034	1.00
196_R	199_V	1.022	1.00
41_V	45_Y	1.015	1.00
126_V	217_A	1.015	1.00
199_V	203_D	1.010	1.00
110_V	115_I	1.005	1.00
215_A	288_R	1.004	1.00
8_L	11_F	1.001	1.00
197_E	200_A	0.998	1.00
155_V	159_I	0.997	1.00
208_I	211_G	0.995	1.00
155_V	160_V	0.994	1.00
158_Y	161_L	0.993	1.00
16_I	21_F	0.991	1.00
190_L	276_T	0.958	1.00
280_T	284_I	0.948	1.00
8_L	15_A	0.946	1.00
102_R	105_N	0.945	1.00
53_L	98_F	0.943	0.99
15_A	19_A	0.941	0.99
199_V	202_A	0.941	0.99
130_E	133_H	0.941	0.99
222_S	226_E	0.938	0.99
12_Y	19_A	0.935	0.99
30_L	34_I	0.931	0.99
17_A	21_F	0.926	0.99
13_S	21_F	0.924	0.99
66_F	70_H	0.917	0.99
278_P	283_R	0.913	0.99
188_F	192_I	0.912	0.99
15_A	22_F	0.911	0.99
213_P	216_R	0.908	0.99
69_I	110_V	0.905	0.99
157_Q	162_F	0.902	0.99
214_L	218_L	0.900	0.99
82_I	135_A	0.900	0.99
141_T	199_V	0.898	0.99
177_V	180_L	0.896	0.99
214_L	287_L	0.892	0.99
125_G	213_P	0.891	0.99
228_A	231_Q	0.884	0.99
221_I	225_N	0.872	0.99
16_I	19_A	0.871	0.99
29_I	33_A	0.869	0.99
34_I	38_V	0.866	0.99
40_L	44_Q	0.859	0.99
141_T	196_R	0.857	0.99
205_R	211_G	0.857	0.99
14_V	18_A	0.853	0.99
64_Q	67_P	0.850	0.99
76_L	127_L	0.848	0.99
63_E	71_R	0.845	0.99
71_R	120_H	0.845	0.99
10_A	13_S	0.839	0.99
161_L	165_D	0.839	0.99
19_A	22_F	0.839	0.99
281_E	285_Q	0.839	0.99
7_I	19_A	0.834	0.99
17_A	24_G	0.831	0.99
19_A	23_F	0.830	0.99
15_A	18_A	0.828	0.99
129_H	200_A	0.822	0.99
31_A	35_V	0.821	0.99
12_Y	23_F	0.815	0.99
9_F	12_Y	0.811	0.98
230_Q	233_R	0.809	0.98
66_F	69_I	0.805	0.98
108_V	127_L	0.799	0.98
95_P	224_G	0.798	0.98
229_A	233_R	0.796	0.98
114_L	118_L	0.795	0.98
216_R	220_K	0.791	0.98
139_V	143_Q	0.791	0.98
19_A	24_G	0.786	0.98
8_L	21_F	0.786	0.98
77_S	84_K	0.784	0.98
219_E	222_S	0.784	0.98
12_Y	20_W	0.781	0.98
75_S	79_D	0.777	0.98
103_K	106_G	0.776	0.98
61_M	89_V	0.774	0.98
56_V	90_A	0.772	0.98
47_V	50_W	0.771	0.98
25_Q	28_T	0.771	0.98
75_S	78_R	0.769	0.98
119_E	122_E	0.769	0.98
9_F	20_W	0.766	0.98
14_V	19_A	0.765	0.98
49_K	53_L	0.761	0.98
69_I	87_L	0.756	0.98
72_R	76_L	0.756	0.98
63_E	70_H	0.755	0.98
37_S	41_V	0.754	0.98
78_R	81_G	0.751	0.97
34_I	41_V	0.751	0.97
9_F	19_A	0.750	0.97
118_L	220_K	0.747	0.97
193_S	276_T	0.745	0.97
100_V	139_V	0.743	0.97
259_A	262_I	0.741	0.97
73_V	127_L	0.739	0.97
197_E	277_H	0.738	0.97
95_P	117_I	0.735	0.97
56_V	261_C	0.735	0.97
155_V	158_Y	0.733	0.97
120_H	124_D	0.728	0.97
7_I	15_A	0.727	0.97
132_S	207_A	0.723	0.97
11_F	14_V	0.722	0.97
18_A	23_F	0.721	0.97
46_K	102_R	0.717	0.97
229_A	232_Q	0.715	0.97
271_Q	282_K	0.713	0.97
142_M	193_S	0.713	0.97
212_E	216_R	0.709	0.96
77_S	131_L	0.709	0.96
260_L	263_S	0.708	0.96
90_A	111_S	0.706	0.96
118_L	126_V	0.706	0.96
65_E	70_H	0.705	0.96
221_I	263_S	0.704	0.96
231_Q	234_Q	0.701	0.96
149_A	189_V	0.700	0.96
72_R	75_S	0.697	0.96
175_I	182_Q	0.696	0.96
79_D	209_G	0.693	0.96
185_V	188_F	0.690	0.96
49_K	86_T	0.687	0.96
7_I	10_A	0.681	0.96
10_A	21_F	0.676	0.95
224_G	227_Q	0.669	0.95
156_A	160_V	0.668	0.95
133_H	200_A	0.668	0.95
177_V	181_V	0.666	0.95
211_G	287_L	0.666	0.95
61_M	90_A	0.656	0.95
171_F	175_I	0.656	0.95
204_A	214_L	0.651	0.94
230_Q	234_Q	0.649	0.94
272_K	275_S	0.649	0.94
211_G	214_L	0.645	0.94
179_N	182_Q	0.645	0.94
214_L	217_A	0.643	0.94
146_Q	150_S	0.643	0.94
135_A	206_R	0.641	0.94
173_L	177_V	0.640	0.94
149_A	185_V	0.638	0.94
89_V	115_I	0.638	0.94
85_P	196_R	0.638	0.94
228_A	232_Q	0.629	0.93
219_E	223_Q	0.627	0.93
15_A	24_G	0.627	0.93
90_A	109_V	0.626	0.93
99_A	106_G	0.626	0.93
277_H	283_R	0.623	0.93
140_V	144_L	0.622	0.93
77_S	83_K	0.621	0.93
77_S	81_G	0.619	0.93
131_L	134_I	0.618	0.93
28_T	32_I	0.616	0.93
7_I	18_A	0.616	0.93
9_F	16_I	0.615	0.92
136_N	196_R	0.614	0.92
18_A	22_F	0.614	0.92
21_F	24_G	0.613	0.92
8_L	13_S	0.612	0.92
187_L	274_V	0.612	0.92
49_K	52_A	0.612	0.92
7_I	14_V	0.611	0.92
33_A	36_G	0.606	0.92
145_G	189_V	0.605	0.92
8_L	23_F	0.604	0.92
73_V	80_M	0.604	0.92
94_V	221_I	0.604	0.92
145_G	192_I	0.604	0.92
8_L	19_A	0.604	0.92
28_T	31_A	0.599	0.91
100_V	107_T	0.597	0.91
96_N	129_H	0.594	0.91
12_Y	22_F	0.589	0.91
80_M	131_L	0.589	0.91
183_F	186_T	0.589	0.91
215_A	219_E	0.585	0.91
191_A	194_R	0.582	0.90
106_G	139_V	0.580	0.90
152_V	181_V	0.578	0.90
135_A	203_D	0.578	0.90
144_L	148_I	0.576	0.90
62_D	66_F	0.575	0.90
182_Q	185_V	0.575	0.90
177_V	223_Q	0.574	0.90
13_S	16_I	0.574	0.90
52_A	107_T	0.571	0.89
92_M	112_R	0.570	0.89
9_F	14_V	0.568	0.89
180_L	184_L	0.564	0.89
108_V	131_L	0.563	0.89
125_G	215_A	0.562	0.89
146_Q	152_V	0.560	0.89
9_F	18_A	0.560	0.89
33_A	46_K	0.557	0.88
92_M	95_P	0.557	0.88
209_G	213_P	0.557	0.88
15_A	20_W	0.556	0.88
10_A	14_V	0.556	0.88
14_V	17_A	0.556	0.88
93_G	112_R	0.555	0.88
72_R	127_L	0.554	0.88
223_Q	227_Q	0.554	0.88
125_G	218_L	0.552	0.88
142_M	145_G	0.550	0.88
52_A	56_V	0.549	0.88
7_I	20_W	0.549	0.88
35_V	43_V	0.547	0.87
53_L	107_T	0.546	0.87
271_Q	275_S	0.545	0.87
178_G	182_Q	0.543	0.87
87_L	110_V	0.542	0.87
191_A	195_Y	0.541	0.87
71_R	78_R	0.540	0.87
8_L	24_G	0.539	0.87
93_G	224_G	0.539	0.87
61_M	66_F	0.538	0.87
14_V	22_F	0.538	0.87
10_A	16_I	0.537	0.86
192_I	259_A	0.536	0.86
110_V	134_I	0.536	0.86
205_R	218_L	0.533	0.86
125_G	204_A	0.533	0.86
86_T	107_T	0.533	0.86
83_K	105_N	0.531	0.86
45_Y	48_G	0.530	0.86
7_I	16_I	0.530	0.86
124_D	128_A	0.528	0.85
69_I	115_I	0.527	0.85
51_M	117_I	0.527	0.85
56_V	109_V	0.524	0.85
133_H	277_H	0.523	0.85
6_T	17_A	0.523	0.85
171_F	178_G	0.521	0.85
142_M	146_Q	0.520	0.85
90_A	94_V	0.520	0.85
76_L	124_D	0.519	0.85
59_E	112_R	0.518	0.84
54_R	57_G	0.518	0.84
118_L	123_L	0.516	0.84
79_D	206_R	0.515	0.84
36_G	40_L	0.515	0.84
33_A	37_S	0.515	0.84
36_G	154_I	0.514	0.84
138_D	203_D	0.514	0.84
18_A	21_F	0.512	0.84
201_D	283_R	0.510	0.83
76_L	80_M	0.505	0.83
6_T	16_I	0.505	0.83
73_V	124_D	0.504	0.83
140_V	143_Q	0.504	0.83
225_N	228_A	0.503	0.83
211_G	217_A	0.502	0.83
73_V	110_V	0.501	0.82
13_S	20_W	0.500	0.82

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
4il3A	1	0.8685	100	0.292	Contact Map
4aw6A	2	0.8685	100	0.299	Contact Map
3c37A	1	0.6436	100	0.488	Contact Map
3cqbA	4	0.3529	99.9	0.635	Contact Map
4qhjA	2	0.3529	97.4	0.866	Contact Map
4jixA	2	0.3737	96.6	0.88	Contact Map
4jiuA	1	0.3529	95.5	0.891	Contact Map
3dteA	2	0.5017	93.6	0.901	Contact Map
1mhsA	2	0.2907	13.1	0.953	Contact Map
2r9rB	3	0.2042	8.9	0.956	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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