Q9HNW6 - HALSA - GREMLIN Contacts

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Q9HNW6 - Peptidyl-prolyl isomerase

UniProt:	Q9HNW6	Sequences: MRRADCRNTMPVDATVHTSEGEFDIELYDERAPRTVENFLNLARHEPAADADPAPDTVTWEDPESGEIRGDSLYAGVSFHRIIEGFMIQGGDPTGTGRGGPGYEFADEFHDDLTHDGPGVLSMANSGPDTNGSQFFITLDAQPHLDGRHAVFGAVTDGMDVVETIGDVETDANDAPASEITIDRVEIHE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	189 (144)
Sequences:	8503 (4588)
Seq/√Len:	382.3

ECOLI - PPIB PPIA
BACSU - PPIB
HALSA - Q9HNW6

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
118_P	163_E	3.540	1.00
139_L	166_G	3.410	1.00
119_G	159_M	3.027	1.00
75_A	184_R	2.663	1.00
24_D	157_D	2.617	1.00
17_H	22_E	2.533	1.00
115_H	122_S	2.485	1.00
117_G	154_A	2.380	1.00
77_V	90_G	2.201	1.00
122_S	136_F	2.184	1.00
37_E	41_N	1.967	1.00
78_S	179_E	1.960	1.00
25_I	121_L	1.937	1.00
23_F	162_V	1.916	1.00
105_F	131_N	1.890	1.00
168_V	180_I	1.889	1.00
26_E	154_A	1.654	1.00
84_E	166_G	1.617	1.00
88_I	139_L	1.616	1.00
20_E	164_T	1.606	1.00
34_R	106_A	1.604	1.00
169_E	177_A	1.595	1.00
17_H	186_E	1.574	1.00
17_H	184_R	1.572	1.00
138_T	142_Q	1.531	1.00
29_D	36_V	1.523	1.00
23_F	155_V	1.516	1.00
26_E	156_T	1.480	1.00
17_H	183_D	1.458	1.00
84_E	167_D	1.449	1.00
120_V	154_A	1.438	1.00
116_D	120_V	1.437	1.00
71_D	102_G	1.436	1.00
171_D	177_A	1.424	1.00
31_R	113_L	1.411	1.00
82_I	165_I	1.409	1.00
84_E	170_T	1.390	1.00
83_I	87_M	1.389	1.00
165_I	180_I	1.376	1.00
88_I	165_I	1.372	1.00
170_T	174_D	1.355	1.00
26_E	29_D	1.353	1.00
120_V	138_T	1.352	1.00
79_F	90_G	1.352	1.00
72_S	75_A	1.336	1.00
115_H	146_D	1.313	1.00
117_G	120_V	1.313	1.00
155_V	159_M	1.312	1.00
43_A	185_V	1.306	1.00
116_D	154_A	1.300	1.00
163_E	166_G	1.267	1.00
31_R	112_D	1.260	1.00
73_L	93_P	1.239	1.00
106_A	129_D	1.214	1.00
114_T	146_D	1.209	1.00
182_I	185_V	1.193	1.00
83_I	174_D	1.193	1.00
119_G	163_E	1.190	1.00
109_F	147_G	1.179	1.00
27_L	36_V	1.176	1.00
97_G	100_G	1.145	1.00
85_G	140_D	1.123	1.00
78_S	181_T	1.120	1.00
28_Y	31_R	1.115	1.00
40_L	44_R	1.103	1.00
100_G	133_S	1.098	1.00
32_A	36_V	1.081	1.00
41_N	44_R	1.080	1.00
155_V	162_V	1.071	1.00
122_S	146_D	1.060	1.00
78_S	95_G	1.054	1.00
41_N	71_D	1.051	1.00
105_F	108_E	1.041	1.00
78_S	175_A	1.039	1.00
28_Y	154_A	1.026	1.00
125_N	130_T	1.025	1.00
104_E	132_G	1.020	1.00
137_I	162_V	1.019	1.00
120_V	151_V	1.003	1.00
36_V	40_L	1.000	1.00
107_D	125_N	0.984	1.00
73_L	133_S	0.975	1.00
41_N	102_G	0.971	1.00
168_V	178_S	0.965	1.00
171_D	175_A	0.960	1.00
96_T	99_G	0.958	1.00
93_P	99_G	0.942	1.00
139_L	162_V	0.940	1.00
159_M	162_V	0.934	1.00
107_D	131_N	0.924	1.00
114_T	143_P	0.919	1.00
169_E	174_D	0.913	1.00
101_P	132_G	0.909	1.00
25_I	137_I	0.903	1.00
77_V	92_D	0.895	1.00
81_R	89_Q	0.883	1.00
22_E	186_E	0.882	1.00
94_T	98_R	0.881	1.00
19_S	183_D	0.881	1.00
121_L	152_F	0.880	1.00
42_L	185_V	0.878	1.00
104_E	126_S	0.856	1.00
80_H	95_G	0.850	1.00
24_D	156_T	0.848	1.00
82_I	139_L	0.847	1.00
82_I	88_I	0.847	1.00
107_D	129_D	0.844	1.00
34_R	37_E	0.838	1.00
122_S	151_V	0.834	1.00
82_I	180_I	0.829	1.00
110_H	147_G	0.828	1.00
73_L	101_P	0.823	1.00
159_M	163_E	0.818	1.00
89_Q	134_Q	0.816	1.00
20_E	168_V	0.814	1.00
80_H	134_Q	0.807	1.00
20_E	178_S	0.790	1.00
125_N	149_H	0.789	1.00
137_I	155_V	0.784	1.00
37_E	40_L	0.784	1.00
126_S	130_T	0.778	1.00
87_M	144_H	0.774	1.00
76_G	181_T	0.773	1.00
87_M	139_L	0.764	1.00
85_G	166_G	0.764	1.00
160_D	164_T	0.761	1.00
103_Y	132_G	0.753	1.00
84_E	139_L	0.740	1.00
125_N	131_N	0.739	1.00
89_Q	124_A	0.739	1.00
115_H	136_F	0.738	1.00
158_G	161_V	0.732	1.00
161_V	164_T	0.729	1.00
118_P	159_M	0.727	1.00
143_P	146_D	0.726	1.00
116_D	141_A	0.724	1.00
92_D	97_G	0.720	1.00
118_P	140_D	0.717	1.00
39_F	43_A	0.713	1.00
19_S	181_T	0.709	1.00
170_T	176_P	0.708	1.00
32_A	150_A	0.703	1.00
92_D	99_G	0.703	1.00
25_I	155_V	0.697	0.99
81_R	124_A	0.690	0.99
23_F	137_I	0.687	0.99
174_D	177_A	0.684	0.99
76_G	183_D	0.677	0.99
35_T	123_M	0.672	0.99
95_G	99_G	0.671	0.99
94_T	100_G	0.669	0.99
123_M	131_N	0.665	0.99
32_A	35_T	0.660	0.99
72_S	101_P	0.655	0.99
32_A	109_F	0.654	0.99
42_L	71_D	0.651	0.99
75_A	185_V	0.650	0.99
29_D	37_E	0.646	0.99
97_G	101_P	0.645	0.99
113_L	151_V	0.640	0.99
114_T	147_G	0.639	0.99
115_H	138_T	0.639	0.99
116_D	146_D	0.633	0.99
140_D	144_H	0.628	0.99
118_P	141_A	0.627	0.99
118_P	139_L	0.619	0.99
88_I	137_I	0.617	0.99
164_T	167_D	0.609	0.99
156_T	160_D	0.608	0.99
77_V	93_P	0.605	0.99
175_A	179_E	0.604	0.99
73_L	77_V	0.600	0.98
24_D	158_G	0.596	0.98
102_G	132_G	0.595	0.98
29_D	40_L	0.592	0.98
127_G	148_R	0.590	0.98
35_T	150_A	0.586	0.98
171_D	174_D	0.585	0.98
96_T	100_G	0.585	0.98
109_F	112_D	0.584	0.98
35_T	152_F	0.583	0.98
127_G	130_T	0.582	0.98
90_G	121_L	0.581	0.98
40_L	43_A	0.578	0.98
35_T	39_F	0.575	0.98
93_P	132_G	0.575	0.98
170_T	177_A	0.572	0.98
34_R	105_F	0.570	0.98
77_V	94_T	0.566	0.98
80_H	124_A	0.564	0.98
23_F	165_I	0.554	0.97
139_L	163_E	0.554	0.97
109_F	113_L	0.553	0.97
72_S	184_R	0.551	0.97
93_P	96_T	0.550	0.97
92_D	100_G	0.545	0.97
28_Y	121_L	0.545	0.97
41_N	72_S	0.540	0.97
107_D	149_H	0.540	0.97
121_L	153_G	0.537	0.97
28_Y	120_V	0.533	0.97
36_V	39_F	0.531	0.97
77_V	182_I	0.528	0.97
18_T	21_G	0.526	0.96
163_E	167_D	0.525	0.96
105_F	123_M	0.522	0.96
164_T	168_V	0.517	0.96
43_A	183_D	0.509	0.96
39_F	42_L	0.508	0.96
17_H	20_E	0.505	0.96
86_F	89_Q	0.504	0.96
131_N	150_A	0.502	0.95
157_D	160_D	0.501	0.95
20_E	180_I	0.500	0.95
78_S	96_T	0.500	0.95
86_F	145_L	0.500	0.95

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
1w74A	1	0.8942	100	0.199	Contact Map
2k7nA	1	0.8624	100	0.21	Contact Map
2fu0A	1	0.8042	100	0.211	Contact Map
2x7kA	1	0.8519	100	0.216	Contact Map
3bo7A	3	0.8042	100	0.219	Contact Map
2poeA	1	0.8148	100	0.221	Contact Map
2b71A	1	0.8466	100	0.223	Contact Map
1zkcA	1	0.8519	100	0.224	Contact Map
2ok3A	1	0.8042	100	0.226	Contact Map
2a2nA	1	0.8466	100	0.227	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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