PCP - BACSU - GREMLIN Contacts

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PCP - Pyrrolidone-carboxylate peptidase

UniProt:	P28618	Sequences: MRKKVLITGFDPFDKETVNPSWEAAKRLNGFETEEAIITAEQIPTVFRSALDTLRQAIQKHQPDIVICVGQAGGRMQITPERVAINLADARIPDNEGHQPIDEEISPDGPAAYWTRLPVKRMTAKMKEHGIPAAVSYTAGTFVCNYLFYGLMDHISRTSPHIRGGFIHIPYIPQQTIDKTAPSLSLDTIVRALRIAAVTAAQYDEDVKSPGGTLH	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	215 (192)
Sequences:	1457 (1099)
Seq/√Len:	79.3

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
84_A	148_F	3.900	1.00
148_F	152_M	3.370	1.00
77_Q	134_A	3.275	1.00
88_A	146_Y	3.157	1.00
51_L	150_G	3.139	1.00
47_F	90_A	3.085	1.00
46_V	96_E	2.980	1.00
22_W	42_Q	2.776	1.00
49_S	96_E	2.584	1.00
23_E	26_K	2.561	1.00
24_A	69_V	2.511	1.00
11_D	45_T	2.502	1.00
109_G	149_Y	2.455	1.00
4_K	37_I	2.409	1.00
80_P	123_T	2.396	1.00
75_R	79_T	2.344	1.00
25_A	69_V	2.308	1.00
46_V	49_S	2.275	1.00
68_C	151_L	2.128	1.00
41_E	57_A	2.120	1.00
87_L	137_Y	2.065	1.00
7_I	28_L	2.065	1.00
106_S	153_D	2.040	1.00
39_T	61_H	1.981	1.00
67_I	167_I	1.946	1.00
73_G	171_Y	1.828	1.00
82_R	137_Y	1.809	1.00
167_I	196_A	1.792	1.00
16_E	71_Q	1.789	1.00
43_I	147_L	1.758	1.00
72_A	75_R	1.754	1.00
54_L	151_L	1.743	1.00
71_Q	175_Q	1.700	1.00
155_I	164_G	1.696	1.00
113_Y	153_D	1.647	1.00
152_M	164_G	1.631	1.00
65_I	163_R	1.586	1.00
69_V	193_L	1.535	0.99
24_A	193_L	1.527	0.99
55_R	154_H	1.499	0.99
122_M	126_M	1.477	0.99
31_F	194_R	1.464	0.99
47_F	143_V	1.459	0.99
151_L	164_G	1.449	0.99
155_I	162_I	1.446	0.99
102_D	120_K	1.430	0.99
148_F	165_G	1.412	0.99
24_A	169_I	1.383	0.99
5_V	36_A	1.379	0.99
131_I	188_T	1.377	0.99
30_G	40_A	1.323	0.98
78_I	192_A	1.321	0.98
110_P	153_D	1.316	0.98
41_E	60_K	1.308	0.98
119_V	135_V	1.300	0.98
68_C	164_G	1.297	0.98
52_D	56_Q	1.297	0.98
41_E	61_H	1.295	0.98
125_K	195_I	1.289	0.98
50_A	146_Y	1.269	0.98
126_M	195_I	1.263	0.98
56_Q	60_K	1.259	0.98
27_R	190_V	1.255	0.98
50_A	147_L	1.232	0.97
126_M	196_A	1.213	0.97
169_I	189_I	1.176	0.96
29_N	40_A	1.165	0.96
50_A	143_V	1.163	0.96
78_I	167_I	1.159	0.96
173_P	183_S	1.156	0.96
105_I	146_Y	1.147	0.96
191_R	194_R	1.147	0.96
44_P	53_T	1.139	0.96
58_I	162_I	1.131	0.96
58_I	154_H	1.123	0.95
122_M	196_A	1.105	0.95
58_I	63_P	1.093	0.95
55_R	158_T	1.091	0.95
86_N	145_N	1.088	0.94
5_V	65_I	1.084	0.94
85_I	141_T	1.076	0.94
18_V	23_E	1.074	0.94
124_A	128_E	1.068	0.94
188_T	191_R	1.067	0.94
119_V	137_Y	1.058	0.94
105_I	108_D	1.056	0.94
9_G	25_A	1.052	0.93
43_I	54_L	1.044	0.93
70_G	144_C	1.038	0.93
11_D	95_N	1.034	0.93
11_D	43_I	1.010	0.92
89_D	102_D	1.010	0.92
186_L	189_I	1.001	0.92
68_C	147_L	1.000	0.92
25_A	40_A	0.999	0.92
39_T	57_A	0.992	0.91
21_S	43_I	0.984	0.91
155_I	160_P	0.978	0.91
111_A	114_W	0.978	0.91
7_I	29_N	0.978	0.91
137_Y	141_T	0.973	0.90
58_I	66_V	0.972	0.90
115_T	148_F	0.967	0.90
146_Y	150_G	0.964	0.90
57_A	61_H	0.937	0.89
51_L	146_Y	0.936	0.89
20_P	71_Q	0.926	0.88
139_A	145_N	0.917	0.88
151_L	155_I	0.913	0.87
120_K	135_V	0.912	0.87
80_P	119_V	0.905	0.87
22_W	26_K	0.898	0.87
88_A	105_I	0.895	0.86
4_K	39_T	0.892	0.86
108_D	153_D	0.889	0.86
154_H	159_S	0.886	0.86
192_A	196_A	0.886	0.86
129_H	195_I	0.880	0.85
51_L	147_L	0.879	0.85
115_T	165_G	0.878	0.85
186_L	190_V	0.864	0.84
59_Q	154_H	0.861	0.84
49_S	52_D	0.857	0.84
83_V	112_A	0.855	0.84
117_L	165_G	0.842	0.83
126_M	131_I	0.831	0.82
36_A	65_I	0.830	0.82
70_G	166_F	0.824	0.81
47_F	100_P	0.821	0.81
54_L	68_C	0.819	0.81
92_I	99_Q	0.817	0.81
10_F	143_V	0.809	0.80
85_I	145_N	0.808	0.80
16_E	179_K	0.799	0.79
125_K	128_E	0.798	0.79
80_P	115_T	0.790	0.79
119_V	123_T	0.788	0.78
82_R	87_L	0.787	0.78
77_Q	80_P	0.783	0.78
8_T	68_C	0.778	0.78
11_D	142_F	0.776	0.77
138_T	141_T	0.775	0.77
185_S	188_T	0.773	0.77
180_T	184_L	0.773	0.77
104_E	107_P	0.772	0.77
141_T	145_N	0.772	0.77
187_D	190_V	0.768	0.77
90_A	100_P	0.768	0.77
80_P	133_A	0.768	0.77
79_T	134_A	0.763	0.76
53_T	56_Q	0.754	0.75
131_I	195_I	0.752	0.75
171_Y	175_Q	0.748	0.75
82_R	102_D	0.744	0.74
12_P	22_W	0.742	0.74
91_R	99_Q	0.741	0.74
9_G	22_W	0.739	0.74
82_R	120_K	0.734	0.73
141_T	165_G	0.733	0.73
104_E	111_A	0.731	0.73
13_F	73_G	0.728	0.73
24_A	189_I	0.713	0.71
59_Q	62_Q	0.711	0.71
123_T	135_V	0.710	0.71
106_S	150_G	0.708	0.71
22_W	169_I	0.706	0.70
131_I	192_A	0.705	0.70
144_C	166_F	0.705	0.70
72_A	79_T	0.704	0.70
167_I	193_L	0.703	0.70
45_T	142_F	0.703	0.70
111_A	156_S	0.703	0.70
176_T	179_K	0.703	0.70
122_M	195_I	0.702	0.70
57_A	60_K	0.702	0.70
117_L	122_M	0.700	0.70
5_V	67_I	0.698	0.70
32_E	37_I	0.687	0.68
4_K	61_H	0.683	0.68
89_D	105_I	0.682	0.68
33_T	36_A	0.682	0.68
89_D	120_K	0.680	0.68
89_D	145_N	0.673	0.67
21_S	69_V	0.672	0.67
69_V	169_I	0.672	0.67
46_V	98_H	0.667	0.66
113_Y	156_S	0.667	0.66
114_W	148_F	0.667	0.66
191_R	195_I	0.666	0.66
9_G	20_P	0.658	0.65
187_D	191_R	0.655	0.65
182_P	192_A	0.651	0.64
110_P	156_S	0.651	0.64
83_V	114_W	0.651	0.64
32_E	35_E	0.650	0.64
70_G	168_H	0.649	0.64
48_R	98_H	0.649	0.64
68_C	152_M	0.647	0.64
150_G	155_I	0.645	0.64
101_I	120_K	0.643	0.63
17_T	174_Q	0.639	0.63
39_T	63_P	0.637	0.63
21_S	169_I	0.637	0.63
85_I	139_A	0.633	0.62
24_A	147_L	0.631	0.62
45_T	143_V	0.630	0.62
71_Q	171_Y	0.629	0.62
75_R	138_T	0.629	0.62
10_F	147_L	0.628	0.61
184_L	188_T	0.626	0.61
158_T	162_I	0.626	0.61
26_K	42_Q	0.624	0.61
49_S	53_T	0.623	0.61
50_A	88_A	0.620	0.60
39_T	194_R	0.619	0.60
82_R	119_V	0.618	0.60
176_T	183_S	0.618	0.60
144_C	168_H	0.617	0.60
10_F	142_F	0.616	0.60
5_V	189_I	0.614	0.60
185_S	192_A	0.613	0.60
90_A	99_Q	0.613	0.60
88_A	103_E	0.613	0.60
129_H	191_R	0.611	0.59
36_A	64_D	0.611	0.59
181_A	193_L	0.610	0.59
21_S	25_A	0.608	0.59
87_L	119_V	0.606	0.59
54_L	147_L	0.605	0.59
88_A	142_F	0.602	0.58
59_Q	158_T	0.601	0.58
67_I	151_L	0.600	0.58
115_T	152_M	0.600	0.58
6_L	75_R	0.596	0.57
143_V	147_L	0.592	0.57
142_F	146_Y	0.589	0.57
119_V	172_I	0.583	0.56
11_D	42_Q	0.581	0.56
182_P	185_S	0.580	0.55
186_L	192_A	0.580	0.55
106_S	110_P	0.579	0.55
85_I	114_W	0.579	0.55
68_C	155_I	0.577	0.55
84_A	147_L	0.577	0.55
85_I	138_T	0.577	0.55
56_Q	59_Q	0.575	0.55
32_E	36_A	0.575	0.55
154_H	158_T	0.574	0.55
76_M	80_P	0.570	0.54
125_K	129_H	0.564	0.53
172_I	175_Q	0.563	0.53
68_C	90_A	0.562	0.53
23_E	27_R	0.559	0.53
189_I	193_L	0.558	0.53
41_E	53_T	0.556	0.52
87_L	138_T	0.552	0.52
13_F	95_N	0.550	0.52
114_W	141_T	0.547	0.51
26_K	29_N	0.544	0.51
22_W	25_A	0.539	0.50
16_E	171_Y	0.538	0.50
152_M	156_S	0.538	0.50
89_D	101_I	0.533	0.49
30_G	37_I	0.531	0.49
79_T	123_T	0.531	0.49
55_R	150_G	0.531	0.49
190_V	194_R	0.530	0.49
47_F	89_D	0.529	0.49
54_L	154_H	0.528	0.49
74_G	171_Y	0.524	0.48
18_V	172_I	0.523	0.48
47_F	146_Y	0.521	0.48
178_D	181_A	0.519	0.48
27_R	187_D	0.519	0.48
116_R	155_I	0.519	0.48
105_I	145_N	0.517	0.47
7_I	194_R	0.516	0.47
79_T	142_F	0.515	0.47
51_L	55_R	0.512	0.47
48_R	146_Y	0.511	0.47
153_D	156_S	0.509	0.46
27_R	156_S	0.509	0.46
62_Q	161_H	0.508	0.46
52_D	108_D	0.508	0.46
19_N	70_G	0.507	0.46
124_A	127_K	0.504	0.46
60_K	124_A	0.501	0.45
118_P	165_G	0.500	0.45

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
3ro0A	3	0.9721	100	0.129	Contact Map
3giuA	2	0.986	100	0.135	Contact Map
3lacA	3	0.9442	100	0.143	Contact Map
1a2zA	4	0.9767	100	0.15	Contact Map
1x10A	4	0.9442	100	0.16	Contact Map
1iu8A	3	0.9535	100	0.161	Contact Map
4hpsA	3	0.9535	100	0.162	Contact Map
2ebjA	3	0.893	100	0.188	Contact Map
3mnfA	4	0.9163	49.8	0.941	Contact Map
4ew1A	2	0.8465	40.7	0.944	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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