ADPP - BACSU - GREMLIN Contacts

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ADPP - ADP-ribose pyrophosphatase

UniProt:	P54570	Sequences: MKSLEEKTIAKEQIFSGKVIDLYVEDVELPNGKASKREIVKHPGAVAVLAVTDEGKIIMVKQFRKPLERTIVEIPAGKLEKGEEPEYTALRELEEETGYTAKKLTKITAFYTSPGFADEIVHVFLAEELSVLEEKRELDEDEFVEVMEVTLEDALKLVESREVYDAKTAYAIQYLQLKEALQAQK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	185 (169)
Sequences:	5931 (4249)
Seq/√Len:	326.8

ECOLI - NUDE ADPP NUDK
BACSU - ADPP
HALSA - Q9HNS9 Q9HME6
SULSO - Q97WP3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
47_A	74_I	2.921	1.00
7_K	28_E	2.750	1.00
86_E	90_L	2.470	1.00
103_K	127_E	2.460	1.00
52_T	56_K	2.430	1.00
94_E	100_T	2.339	1.00
155_L	176_Q	2.323	1.00
102_K	128_E	2.233	1.00
56_K	150_T	2.232	1.00
16_S	21_D	2.225	1.00
154_A	172_I	2.205	1.00
12_E	24_V	2.194	1.00
56_K	148_E	2.186	1.00
72_V	147_M	2.162	1.00
156_K	160_S	2.050	1.00
105_T	127_E	2.025	1.00
13_Q	16_S	2.010	1.00
106_K	122_H	2.004	1.00
84_E	87_Y	1.994	1.00
58_I	148_E	1.990	1.00
10_A	26_D	1.986	1.00
52_T	148_E	1.967	1.00
61_K	145_E	1.951	1.00
26_D	34_A	1.946	1.00
109_A	120_I	1.945	1.00
41_K	118_D	1.917	1.00
102_K	130_S	1.824	1.00
83_E	91_R	1.807	1.00
157_L	162_E	1.806	1.00
79_L	88_T	1.789	1.00
24_V	36_K	1.784	1.00
61_K	147_M	1.774	1.00
23_Y	41_K	1.773	1.00
90_L	104_L	1.761	1.00
106_K	109_A	1.723	1.00
48_V	89_A	1.687	1.00
62_Q	73_E	1.661	1.00
149_V	157_L	1.657	1.00
28_E	34_A	1.653	1.00
85_P	122_H	1.632	1.00
103_K	128_E	1.604	1.00
109_A	122_H	1.562	1.00
150_T	153_D	1.550	1.00
8_T	65_K	1.540	1.00
93_L	101_A	1.496	1.00
153_D	156_K	1.490	1.00
11_K	23_Y	1.487	1.00
11_K	25_E	1.475	1.00
17_G	38_E	1.451	1.00
25_E	65_K	1.449	1.00
111_Y	164_Y	1.445	1.00
49_L	171_A	1.429	1.00
9_I	28_E	1.413	1.00
86_E	104_L	1.406	1.00
100_T	130_S	1.403	1.00
87_Y	90_L	1.372	1.00
58_I	99_Y	1.348	1.00
88_T	91_R	1.347	1.00
24_V	38_E	1.338	1.00
74_I	171_A	1.334	1.00
69_R	164_Y	1.317	1.00
26_D	36_K	1.303	1.00
110_F	170_Y	1.279	1.00
79_L	85_P	1.266	1.00
49_L	175_L	1.239	1.00
75_P	97_T	1.204	1.00
90_L	94_E	1.182	1.00
67_L	71_I	1.179	1.00
67_L	111_Y	1.178	1.00
85_P	124_F	1.173	1.00
63_F	68_E	1.164	1.00
149_V	154_A	1.163	1.00
110_F	123_V	1.137	1.00
99_Y	131_V	1.104	1.00
50_A	93_L	1.100	1.00
65_K	68_E	1.097	1.00
44_G	79_L	1.095	1.00
58_I	146_V	1.090	1.00
13_Q	23_Y	1.086	1.00
113_S	119_E	1.072	1.00
156_K	159_E	1.067	1.00
83_E	88_T	1.066	1.00
155_L	159_E	1.062	1.00
153_D	157_L	1.052	1.00
106_K	124_F	1.050	1.00
158_V	169_A	1.040	1.00
55_G	151_L	1.040	1.00
30_P	143_F	1.037	1.00
9_I	34_A	1.031	1.00
13_Q	21_D	1.024	1.00
123_V	171_A	1.002	1.00
134_E	137_E	0.998	1.00
61_K	70_T	0.990	1.00
94_E	137_E	0.986	1.00
107_I	125_L	0.977	1.00
46_V	89_A	0.974	1.00
12_E	26_D	0.970	1.00
25_E	39_I	0.938	1.00
71_I	114_P	0.903	1.00
138_L	141_D	0.898	1.00
165_D	168_T	0.888	1.00
101_A	104_L	0.871	1.00
57_I	172_I	0.868	1.00
45_A	121_V	0.867	1.00
51_V	125_L	0.862	1.00
64_R	73_E	0.859	1.00
42_H	119_E	0.857	1.00
40_V	116_F	0.854	1.00
44_G	120_I	0.848	1.00
170_Y	173_Q	0.845	1.00
89_A	104_L	0.844	1.00
49_L	74_I	0.825	1.00
47_A	121_V	0.825	1.00
49_L	57_I	0.822	1.00
57_I	74_I	0.814	1.00
48_V	126_A	0.811	1.00
155_L	172_I	0.801	1.00
100_T	132_L	0.797	1.00
86_E	106_K	0.795	1.00
59_M	72_V	0.791	1.00
74_I	172_I	0.785	1.00
104_L	126_A	0.781	1.00
104_L	124_F	0.779	1.00
101_A	128_E	0.778	1.00
21_D	41_K	0.777	1.00
47_A	167_K	0.775	1.00
47_A	123_V	0.772	1.00
112_T	116_F	0.772	1.00
90_L	100_T	0.771	1.00
111_Y	120_I	0.764	1.00
52_T	99_Y	0.762	1.00
53_D	128_E	0.758	0.99
158_V	163_V	0.758	0.99
51_V	55_G	0.752	0.99
59_M	149_V	0.749	0.99
51_V	151_L	0.743	0.99
55_G	152_E	0.738	0.99
8_T	25_E	0.736	0.99
39_I	65_K	0.736	0.99
44_G	122_H	0.735	0.99
14_I	22_L	0.731	0.99
14_I	24_V	0.731	0.99
72_V	149_V	0.728	0.99
75_P	93_L	0.723	0.99
59_M	147_M	0.718	0.99
101_A	129_L	0.716	0.99
110_F	166_A	0.716	0.99
138_L	144_V	0.711	0.99
108_T	170_Y	0.710	0.99
53_D	130_S	0.704	0.99
113_S	117_A	0.692	0.99
51_V	57_I	0.691	0.99
70_T	143_F	0.690	0.99
157_L	160_S	0.689	0.99
8_T	68_E	0.687	0.99
105_T	125_L	0.684	0.99
50_A	125_L	0.682	0.99
101_A	126_A	0.681	0.99
121_V	167_K	0.676	0.99
94_E	135_K	0.675	0.99
120_I	164_Y	0.674	0.99
135_K	138_L	0.669	0.99
60_V	144_V	0.668	0.99
139_D	142_E	0.657	0.99
61_K	72_V	0.655	0.99
53_D	127_E	0.654	0.99
48_V	75_P	0.647	0.98
94_E	134_E	0.647	0.98
110_F	169_A	0.646	0.98
46_V	85_P	0.644	0.98
103_K	106_K	0.643	0.98
57_I	151_L	0.642	0.98
54_E	148_E	0.642	0.98
86_E	124_F	0.637	0.98
59_M	154_A	0.637	0.98
89_A	124_F	0.637	0.98
50_A	60_V	0.635	0.98
108_T	174_Y	0.632	0.98
22_L	40_V	0.630	0.98
10_A	13_Q	0.629	0.98
109_A	164_Y	0.628	0.98
28_E	32_G	0.627	0.98
131_V	135_K	0.626	0.98
51_V	127_E	0.624	0.98
20_I	40_V	0.616	0.98
150_T	155_L	0.614	0.98
43_P	78_K	0.614	0.98
31_N	143_F	0.613	0.98
27_V	35_S	0.611	0.98
151_L	155_L	0.611	0.98
154_A	158_V	0.607	0.98
51_V	175_L	0.605	0.98
89_A	93_L	0.599	0.97
163_V	168_T	0.595	0.97
50_A	101_A	0.594	0.97
151_L	176_Q	0.591	0.97
50_A	74_I	0.591	0.97
132_L	135_K	0.590	0.97
42_H	117_A	0.583	0.97
170_Y	174_Y	0.581	0.97
79_L	122_H	0.580	0.97
76_A	167_K	0.578	0.97
72_V	157_L	0.578	0.97
112_T	166_A	0.573	0.97
149_V	153_D	0.571	0.97
108_T	169_A	0.571	0.97
29_L	33_K	0.570	0.96
44_G	78_K	0.570	0.96
13_Q	41_K	0.567	0.96
57_I	175_L	0.567	0.96
64_R	115_G	0.561	0.96
112_T	117_A	0.560	0.96
47_A	76_A	0.560	0.96
45_A	78_K	0.560	0.96
52_T	58_I	0.560	0.96
157_L	163_V	0.557	0.96
76_A	115_G	0.556	0.96
71_I	111_Y	0.553	0.96
18_K	24_V	0.553	0.96
105_T	108_T	0.552	0.96
152_E	155_L	0.552	0.96
15_F	18_K	0.551	0.96
12_E	36_K	0.550	0.96
15_F	40_V	0.550	0.96
15_F	22_L	0.549	0.96
153_D	162_E	0.548	0.96
42_H	116_F	0.543	0.95
11_K	41_K	0.542	0.95
147_M	157_L	0.540	0.95
48_V	104_L	0.537	0.95
173_Q	176_Q	0.534	0.95
8_T	11_K	0.531	0.95
84_E	124_F	0.530	0.95
154_A	163_V	0.529	0.95
57_I	154_A	0.529	0.95
168_T	172_I	0.529	0.95
22_L	38_E	0.528	0.95
172_I	176_Q	0.528	0.95
100_T	134_E	0.527	0.95
27_V	65_K	0.526	0.95
48_V	93_L	0.522	0.94
39_I	66_P	0.522	0.94
35_S	141_D	0.521	0.94
18_K	36_K	0.519	0.94
94_E	132_L	0.519	0.94
108_T	161_R	0.518	0.94
108_T	123_V	0.515	0.94
42_H	76_A	0.512	0.94
116_F	121_V	0.511	0.94
76_A	113_S	0.508	0.93
56_K	153_D	0.507	0.93
20_I	23_Y	0.506	0.93
58_I	97_T	0.504	0.93
85_P	106_K	0.500	0.93

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
1g0sA	2	0.9946	100	0.274	Contact Map
1vhzA	2	0.9838	100	0.302	Contact Map
2dscA	2	0.9459	100	0.31	Contact Map
1mk1A	2	0.8919	100	0.342	Contact Map
3o6zA	2	0.9568	100	0.399	Contact Map
2yvpA	2	0.9676	100	0.4	Contact Map
1v8yA	2	0.8054	100	0.422	Contact Map
3q91A	2	0.7135	100	0.458	Contact Map
2w4eA	2	0.7405	99.9	0.523	Contact Map
2fvvA	1	0.7297	99.9	0.562	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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