PCP1 - SULSO - GREMLIN Contacts

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PCP1 - Pyrrolidone-carboxylate peptidase 1

UniProt:	P58201	Sequences: MTVLLFGFEPFLEYKENPSQLIVEALNRSTILKEEVKGVILPVEYKKIEDVIVTKIRETKPILTLGIGLAPGRAKITPEKIAINYRYSREGDNAGKKYRGEKIDPLGQDGIFTNIPVEDLVDLLNENGIPAELSLSAGSYLCNNAMYIIIREARKYNSLGGFIHVPLHESYAARIQRSIPSMSLDTMIRGIKLSIEFILTNKNKKENLTLS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	211 (190)
Sequences:	1454 (1121)
Seq/√Len:	81.3

BACSU - PCP
SULSO - PCP1 PCP2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
82_A	146_M	4.031	1.00
146_M	150_I	3.443	1.00
75_K	132_E	3.222	1.00
86_R	144_N	3.156	1.00
49_E	148_I	3.090	1.00
44_E	94_A	3.082	1.00
45_Y	88_S	3.080	1.00
20_Q	40_I	2.760	1.00
21_L	24_E	2.684	1.00
78_P	121_V	2.672	1.00
47_K	94_A	2.615	1.00
22_I	67_I	2.554	1.00
9_E	43_V	2.460	1.00
23_V	67_I	2.451	1.00
73_R	77_T	2.392	1.00
44_E	47_K	2.304	1.00
107_G	147_Y	2.290	1.00
85_Y	135_L	2.209	1.00
2_T	35_E	2.157	1.00
66_G	149_I	2.141	1.00
5_L	26_L	2.073	1.00
39_V	55_K	2.060	1.00
104_D	151_R	2.052	1.00
29_S	192_K	1.914	1.00
65_L	163_I	1.914	1.00
37_K	59_T	1.833	1.00
14_Y	69_L	1.830	1.00
71_P	167_L	1.815	1.00
80_K	135_L	1.792	1.00
25_A	188_I	1.791	1.00
70_A	73_R	1.785	1.00
153_A	160_G	1.775	1.00
67_I	191_I	1.729	1.00
41_L	145_A	1.700	1.00
52_I	149_I	1.700	1.00
120_L	124_L	1.683	1.00
69_L	171_Y	1.679	1.00
150_I	160_G	1.663	1.00
111_I	151_R	1.637	1.00
53_V	152_E	1.595	1.00
153_A	158_S	1.548	1.00
63_L	159_L	1.547	1.00
169_E	181_S	1.545	1.00
39_V	59_T	1.525	0.99
22_I	191_I	1.524	0.99
76_I	190_G	1.511	0.99
45_Y	141_L	1.444	0.99
149_I	160_G	1.442	0.99
100_G	118_E	1.397	0.99
129_I	186_T	1.373	0.99
22_I	165_V	1.363	0.99
28_R	38_G	1.361	0.99
146_M	161_G	1.337	0.99
66_G	160_G	1.311	0.98
39_V	58_E	1.301	0.98
48_I	144_N	1.296	0.98
108_Q	151_R	1.290	0.98
54_T	58_E	1.265	0.98
117_V	133_L	1.260	0.98
50_D	54_T	1.224	0.97
76_I	163_I	1.209	0.97
27_N	38_G	1.196	0.97
122_D	126_E	1.183	0.97
16_E	21_L	1.179	0.97
48_I	141_L	1.175	0.97
165_V	187_M	1.163	0.96
42_P	51_V	1.134	0.96
56_I	152_E	1.132	0.96
186_T	189_R	1.125	0.96
48_I	145_A	1.124	0.96
103_I	144_N	1.116	0.96
83_I	139_S	1.115	0.96
56_I	64_T	1.106	0.95
84_N	143_N	1.103	0.95
56_I	61_P	1.098	0.95
56_I	158_S	1.092	0.95
66_G	145_A	1.088	0.95
151_R	155_K	1.074	0.94
7_G	23_V	1.067	0.94
9_E	93_N	1.058	0.94
68_G	142_C	1.054	0.94
117_V	135_L	1.052	0.94
57_R	156_Y	1.038	0.93
41_L	52_I	1.029	0.93
55_K	59_T	1.025	0.93
23_V	38_G	1.016	0.93
135_L	139_S	1.014	0.93
5_L	27_N	1.012	0.93
37_K	55_K	1.011	0.93
103_I	106_L	1.003	0.92
3_V	63_L	0.998	0.92
9_E	41_L	0.995	0.92
19_S	41_L	0.993	0.92
144_N	148_I	0.985	0.92
53_V	156_Y	0.966	0.91
109_D	112_F	0.952	0.90
137_A	143_N	0.946	0.90
87_Y	100_G	0.934	0.89
18_P	69_L	0.933	0.89
47_K	50_D	0.919	0.88
78_P	117_V	0.918	0.88
49_E	144_N	0.909	0.88
189_R	192_K	0.907	0.88
20_Q	24_E	0.902	0.87
113_T	161_G	0.897	0.87
102_K	109_D	0.894	0.87
123_L	126_E	0.894	0.87
113_T	146_M	0.894	0.87
49_E	145_A	0.892	0.87
149_I	153_A	0.889	0.87
78_P	113_T	0.887	0.87
22_I	187_M	0.879	0.86
7_G	20_Q	0.878	0.86
57_R	152_E	0.868	0.85
57_R	60_K	0.862	0.85
174_R	177_R	0.858	0.85
75_K	78_P	0.854	0.84
52_I	66_G	0.846	0.84
2_T	37_K	0.841	0.84
124_L	129_I	0.841	0.84
80_K	85_Y	0.837	0.83
106_L	151_R	0.834	0.83
27_N	30_T	0.833	0.83
66_G	88_S	0.830	0.83
163_I	191_I	0.828	0.83
68_G	162_F	0.823	0.82
90_E	97_K	0.819	0.82
26_L	31_I	0.818	0.82
136_S	139_S	0.816	0.82
81_I	110_G	0.814	0.82
8_F	141_L	0.808	0.81
83_I	143_N	0.807	0.81
2_T	59_T	0.804	0.81
77_T	132_E	0.800	0.80
118_E	133_L	0.800	0.80
139_S	143_N	0.799	0.80
27_N	192_K	0.798	0.80
169_E	182_M	0.795	0.80
172_A	181_S	0.789	0.79
184_L	187_M	0.786	0.79
10_P	20_Q	0.784	0.79
115_I	161_G	0.783	0.79
51_V	54_T	0.781	0.79
37_K	61_P	0.778	0.78
86_R	103_I	0.772	0.78
117_V	121_V	0.754	0.76
20_Q	165_V	0.753	0.76
121_V	133_L	0.752	0.76
104_D	148_I	0.747	0.76
55_K	58_E	0.747	0.76
142_C	162_F	0.746	0.76
139_S	161_G	0.743	0.75
6_F	66_G	0.738	0.75
45_Y	98_Y	0.736	0.75
87_Y	118_E	0.733	0.74
177_R	180_P	0.724	0.73
67_I	165_V	0.720	0.73
152_E	155_K	0.720	0.73
68_G	164_H	0.717	0.73
129_I	190_G	0.716	0.73
43_V	140_Y	0.716	0.73
70_A	77_T	0.715	0.72
31_I	34_E	0.711	0.72
142_C	164_H	0.708	0.72
183_S	186_T	0.707	0.72
80_K	100_G	0.706	0.71
54_T	57_R	0.701	0.71
9_E	140_Y	0.699	0.71
102_K	105_P	0.698	0.71
66_G	150_I	0.696	0.70
52_I	145_A	0.695	0.70
167_L	171_Y	0.693	0.70
78_P	131_A	0.692	0.70
112_F	146_M	0.686	0.69
46_K	96_K	0.681	0.69
152_E	156_Y	0.679	0.68
127_N	189_R	0.678	0.68
3_V	65_L	0.675	0.68
48_I	86_R	0.670	0.67
109_D	154_R	0.670	0.67
87_Y	143_N	0.669	0.67
108_Q	154_R	0.668	0.67
89_R	97_K	0.666	0.67
47_K	51_V	0.665	0.67
80_K	118_E	0.664	0.67
8_F	145_A	0.661	0.66
19_S	67_I	0.656	0.66
85_Y	117_V	0.653	0.65
69_L	167_L	0.652	0.65
8_F	140_Y	0.651	0.65
7_G	18_P	0.650	0.65
44_E	96_K	0.648	0.65
83_I	136_S	0.647	0.65
148_I	153_A	0.645	0.65
83_I	137_A	0.644	0.64
21_L	25_A	0.644	0.64
88_S	98_Y	0.643	0.64
80_K	117_V	0.641	0.64
3_V	34_E	0.641	0.64
19_S	165_V	0.639	0.64
77_T	121_V	0.638	0.64
43_V	141_L	0.638	0.64
30_T	34_E	0.638	0.64
140_Y	144_N	0.636	0.63
87_Y	103_I	0.632	0.63
22_I	145_A	0.630	0.63
124_L	131_A	0.629	0.63
30_T	33_K	0.623	0.62
86_R	140_Y	0.623	0.62
11_F	71_P	0.622	0.62
123_L	127_N	0.619	0.61
111_I	154_R	0.618	0.61
66_G	153_A	0.617	0.61
65_L	149_I	0.613	0.61
180_P	190_G	0.613	0.61
81_I	112_F	0.612	0.60
176_Q	179_I	0.607	0.60
168_H	171_Y	0.605	0.60
74_A	78_P	0.604	0.59
180_P	183_S	0.604	0.59
99_R	118_E	0.602	0.59
24_E	40_I	0.601	0.59
52_I	152_E	0.599	0.59
14_Y	167_L	0.598	0.59
31_I	36_V	0.597	0.59
15_K	170_S	0.597	0.59
85_Y	136_S	0.594	0.58
86_R	101_E	0.594	0.58
130_P	137_A	0.593	0.58
83_I	112_F	0.590	0.58
122_D	125_N	0.587	0.57
124_L	190_G	0.584	0.57
9_E	40_I	0.583	0.57
112_F	139_S	0.582	0.57
75_K	189_R	0.582	0.57
116_P	161_G	0.582	0.57
49_E	53_V	0.581	0.57
11_F	93_N	0.580	0.56
181_S	185_D	0.576	0.56
113_T	150_I	0.575	0.56
20_Q	23_V	0.567	0.55
39_V	51_V	0.566	0.55
4_L	73_R	0.565	0.54
53_V	148_I	0.559	0.54
185_D	188_I	0.557	0.53
61_P	82_A	0.556	0.53
73_R	136_S	0.556	0.53
19_S	23_V	0.555	0.53
27_N	35_E	0.554	0.53
185_D	189_R	0.552	0.53
172_A	176_Q	0.551	0.53
141_L	145_A	0.550	0.53
114_N	154_R	0.549	0.52
46_K	144_N	0.546	0.52
34_E	120_L	0.546	0.52
25_A	185_D	0.544	0.52
181_S	186_T	0.543	0.52
114_N	160_G	0.539	0.51
16_E	168_H	0.539	0.51
53_V	57_R	0.536	0.51
103_I	143_N	0.535	0.51
72_G	167_L	0.532	0.50
177_R	181_S	0.532	0.50
80_K	87_Y	0.531	0.50
20_Q	88_S	0.531	0.50
23_V	191_I	0.531	0.50
77_T	140_Y	0.529	0.50
182_M	190_G	0.527	0.50
45_Y	86_R	0.527	0.50
60_K	185_D	0.525	0.49
117_V	168_H	0.525	0.49
104_D	128_G	0.521	0.49
54_T	156_Y	0.519	0.48
80_K	161_G	0.517	0.48
32_L	157_N	0.515	0.48
78_P	154_R	0.511	0.47
70_A	137_A	0.510	0.47
17_N	68_G	0.510	0.47
82_A	143_N	0.509	0.47
63_L	173_A	0.509	0.47
7_G	146_M	0.507	0.47
156_Y	173_A	0.504	0.47
5_L	38_G	0.504	0.47
85_Y	139_S	0.501	0.46
45_Y	144_N	0.500	0.46

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
1a2zA	4	0.9905	100	0.109	Contact Map
3ro0A	3	0.9716	100	0.116	Contact Map
3giuA	2	0.9858	100	0.116	Contact Map
1x10A	4	0.9621	100	0.12	Contact Map
1iu8A	3	0.9668	100	0.122	Contact Map
3lacA	3	0.9479	100	0.124	Contact Map
4hpsA	3	0.9621	100	0.124	Contact Map
2ebjA	3	0.91	100	0.144	Contact Map
3mnfA	4	0.9242	49.7	0.94	Contact Map
1kz1A	5	0.6161	33.1	0.946	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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