ADPP - ECOLI - GREMLIN Contacts

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ADPP - ADP-ribose pyrophosphatase

UniProt:	Q93K97	Sequences: MLKPDNLPVTFGKNDVEIIARETLYRGFFSLDLYRFRHRLFNGQMSHEVRREIFERGHAAVLLPFDPVRDEVVLIEQIRIAAYDTSETPWLLEMVAGMIEEGESVEDVARREAIEEAGLIVKRTKPVLSFLASPGGTSERSSIMVGEVDATTASGIHGLADENEDIRVHVVSREQAYQWVEEGKIDNAASVIALQWLQLHHQALKNEWA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG12184
Length:	209 (170)
Sequences:	5682 (4013)
Seq/√Len:	307.7

ECOLI - ADPP NUDE 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
61_V	94_M	3.096	1.00
106_E	110_R	2.734	1.00
123_R	147_E	2.582	1.00
66_D	71_E	2.557	1.00
114_I	120_I	2.529	1.00
122_K	148_V	2.463	1.00
71_E	172_S	2.390	1.00
177_Y	198_Q	2.351	1.00
176_A	194_L	2.346	1.00
92_L	169_H	2.289	1.00
71_E	170_V	2.197	1.00
178_Q	182_E	2.169	1.00
125_K	147_E	2.168	1.00
126_P	142_S	2.115	1.00
55_E	138_S	2.088	1.00
129_S	140_R	2.087	1.00
104_S	107_D	2.060	1.00
73_V	170_V	2.055	1.00
76_E	167_R	2.017	1.00
66_D	170_V	1.976	1.00
99_I	108_V	1.970	1.00
122_K	150_A	1.943	1.00
179_W	184_K	1.935	1.00
126_P	129_S	1.907	1.00
30_S	35_R	1.867	1.00
103_E	111_R	1.842	1.00
77_Q	93_E	1.842	1.00
62_L	109_A	1.826	1.00
110_R	124_T	1.800	1.00
105_V	142_S	1.770	1.00
76_E	169_H	1.768	1.00
171_V	179_W	1.751	1.00
195_Q	199_L	1.722	1.00
37_R	55_E	1.714	1.00
129_S	142_S	1.702	1.00
172_S	175_Q	1.702	1.00
123_R	148_V	1.672	1.00
107_D	110_R	1.633	1.00
113_A	121_V	1.602	1.00
40_L	48_E	1.597	1.00
175_Q	178_Q	1.590	1.00
63_L	193_A	1.572	1.00
94_M	193_A	1.556	1.00
106_E	124_T	1.540	1.00
120_I	150_A	1.502	1.00
131_L	186_D	1.476	1.00
154_S	160_A	1.403	1.00
66_D	69_R	1.401	1.00
84_D	186_D	1.319	1.00
40_L	50_R	1.305	1.00
63_L	197_L	1.304	1.00
73_V	119_L	1.294	1.00
80_I	83_Y	1.293	1.00
21_R	24_L	1.290	1.00
108_V	111_R	1.280	1.00
130_F	192_I	1.277	1.00
99_I	105_V	1.274	1.00
39_R	80_I	1.251	1.00
95_V	117_A	1.242	1.00
120_I	152_T	1.195	1.00
82_A	91_L	1.195	1.00
126_P	144_M	1.189	1.00
82_A	131_L	1.178	1.00
42_N	48_E	1.168	1.00
171_V	176_A	1.154	1.00
105_V	144_M	1.147	1.00
78_I	83_Y	1.142	1.00
22_E	33_L	1.134	1.00
114_I	152_T	1.128	1.00
119_L	151_T	1.125	1.00
130_F	143_I	1.123	1.00
178_Q	181_E	1.112	1.00
114_I	159_L	1.106	1.00
58_H	99_I	1.105	1.00
38_H	52_E	1.104	1.00
110_R	114_I	1.099	1.00
38_H	50_R	1.088	1.00
22_E	42_N	1.081	1.00
23_T	26_R	1.065	1.00
64_P	113_A	1.051	1.00
127_V	145_V	1.041	1.00
175_Q	179_W	1.037	1.00
76_E	90_W	1.025	1.00
67_P	148_V	1.024	1.00
60_A	109_A	1.024	1.00
181_E	199_L	1.019	1.00
103_E	108_V	1.019	1.00
73_V	168_V	1.017	1.00
177_Y	181_E	1.016	1.00
28_F	36_F	1.013	1.00
70_D	173_R	0.999	1.00
31_L	52_E	0.996	1.00
180_V	191_V	0.995	1.00
44_Q	165_D	0.983	1.00
143_I	193_A	0.980	1.00
24_L	27_G	0.972	1.00
133_S	139_E	0.967	1.00
109_A	124_T	0.967	1.00
33_L	50_R	0.958	1.00
59_A	141_S	0.953	1.00
61_V	141_S	0.932	1.00
91_L	134_P	0.930	1.00
192_I	195_Q	0.917	1.00
84_D	91_L	0.890	1.00
21_R	32_D	0.889	1.00
121_V	124_T	0.882	1.00
74_L	92_L	0.881	1.00
54_F	136_G	0.878	1.00
114_I	153_A	0.877	1.00
67_P	147_E	0.866	1.00
72_V	94_M	0.859	1.00
72_V	194_L	0.855	1.00
53_I	80_I	0.854	1.00
131_L	140_R	0.849	1.00
180_V	185_I	0.845	1.00
56_R	139_E	0.841	1.00
187_N	190_S	0.836	1.00
177_Y	194_L	0.834	1.00
65_F	145_V	0.831	1.00
21_R	26_R	0.831	1.00
27_G	38_H	0.827	1.00
160_A	163_N	0.825	1.00
63_L	72_V	0.821	1.00
79_R	93_E	0.819	1.00
24_L	40_L	0.817	1.00
130_F	188_A	0.810	1.00
61_V	143_I	0.810	1.00
63_L	94_M	0.808	1.00
28_F	38_H	0.792	1.00
25_Y	40_L	0.790	1.00
106_E	126_P	0.789	1.00
21_R	27_G	0.785	1.00
94_M	194_L	0.784	1.00
132_A	136_G	0.773	0.99
34_Y	53_I	0.773	0.99
121_V	149_D	0.770	0.99
27_G	30_S	0.770	0.99
121_V	148_V	0.763	0.99
62_L	146_G	0.762	0.99
61_V	189_A	0.760	0.99
74_L	171_V	0.759	0.99
65_F	173_R	0.758	0.99
58_H	140_R	0.755	0.99
76_E	92_L	0.750	0.99
130_F	191_V	0.741	0.99
74_L	169_H	0.740	0.99
128_L	196_W	0.734	0.99
65_F	72_V	0.734	0.99
75_I	166_I	0.732	0.99
129_S	186_D	0.731	0.99
106_E	144_M	0.729	0.99
141_S	189_A	0.727	0.99
110_R	120_I	0.720	0.99
133_S	137_T	0.707	0.99
95_V	113_A	0.706	0.99
66_D	119_L	0.698	0.99
67_P	150_A	0.696	0.99
140_R	186_D	0.685	0.99
33_L	52_E	0.685	0.99
179_W	182_E	0.683	0.99
161_D	164_E	0.681	0.99
92_L	171_V	0.680	0.99
58_H	142_S	0.673	0.98
90_W	165_D	0.672	0.98
26_R	37_R	0.671	0.98
121_V	146_G	0.669	0.98
174_E	177_Y	0.663	0.98
70_D	174_E	0.661	0.98
124_T	146_G	0.660	0.98
74_L	176_A	0.660	0.98
132_A	188_A	0.657	0.98
154_S	159_L	0.654	0.98
180_V	194_L	0.652	0.98
125_K	145_V	0.651	0.98
35_R	55_E	0.647	0.98
60_A	105_V	0.647	0.98
72_V	173_R	0.637	0.98
128_L	192_I	0.636	0.98
65_F	70_D	0.630	0.98
124_T	144_M	0.628	0.98
192_I	196_W	0.624	0.98
29_F	36_F	0.623	0.98
29_F	33_L	0.622	0.97
171_V	175_Q	0.622	0.97
42_N	46_S	0.621	0.97
65_F	197_L	0.616	0.97
173_R	198_Q	0.615	0.97
22_E	26_R	0.612	0.97
96_A	189_A	0.608	0.97
57_G	98_M	0.606	0.97
64_P	121_V	0.606	0.97
96_A	135_G	0.605	0.97
64_P	145_V	0.604	0.97
64_P	75_I	0.603	0.97
176_A	180_V	0.601	0.97
179_W	185_I	0.600	0.97
45_M	165_D	0.599	0.97
43_G	47_H	0.597	0.97
127_V	197_L	0.595	0.97
91_L	131_L	0.594	0.97
160_A	166_I	0.594	0.97
36_F	52_E	0.591	0.97
185_I	190_S	0.589	0.97
72_V	197_L	0.588	0.96
59_A	98_M	0.588	0.96
96_A	133_S	0.585	0.96
40_L	46_S	0.580	0.96
69_R	170_V	0.580	0.96
194_L	198_Q	0.580	0.96
72_V	176_A	0.578	0.96
123_R	126_P	0.577	0.96
175_Q	184_K	0.576	0.96
65_F	147_E	0.575	0.96
84_D	131_L	0.573	0.96
128_L	183_G	0.572	0.96
66_D	73_V	0.571	0.96
173_R	177_Y	0.571	0.96
62_L	95_V	0.566	0.96
154_S	168_V	0.565	0.96
132_A	137_T	0.564	0.96
26_R	38_H	0.564	0.96
169_H	179_W	0.560	0.95
26_R	30_S	0.557	0.95
176_A	198_Q	0.556	0.95
64_P	149_D	0.556	0.95
56_R	137_T	0.556	0.95
58_H	98_M	0.556	0.95
39_R	53_I	0.554	0.95
75_I	91_L	0.554	0.95
79_R	135_G	0.553	0.95
71_E	175_Q	0.553	0.95
34_Y	54_F	0.553	0.95
125_K	128_L	0.551	0.95
21_R	42_N	0.550	0.95
136_G	141_S	0.549	0.95
99_I	142_S	0.544	0.95
172_S	177_Y	0.542	0.95
36_F	54_F	0.541	0.94
22_E	35_R	0.538	0.94
75_I	92_L	0.536	0.94
92_L	179_W	0.536	0.94
64_P	94_M	0.536	0.94
104_S	144_M	0.530	0.94
195_Q	198_Q	0.523	0.93
43_G	49_V	0.522	0.93
100_E	108_V	0.519	0.93
176_A	185_I	0.518	0.93
59_A	139_E	0.514	0.93
109_A	144_M	0.508	0.92
79_R	96_A	0.503	0.92
54_F	137_T	0.502	0.92
37_R	48_E	0.502	0.92
118_G	159_L	0.501	0.92
127_V	196_W	0.500	0.92
96_A	100_E	0.500	0.92

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	0.9761	100	0.341	Contact Map
2dscA	2	0.8517	100	0.393	Contact Map
1vhzA	2	0.8852	100	0.4	Contact Map
1mk1A	2	0.799	100	0.442	Contact Map
3o6zA	2	0.8612	100	0.45	Contact Map
2yvpA	2	0.8565	100	0.468	Contact Map
1v8yA	2	0.7129	100	0.507	Contact Map
3q91A	2	0.6651	100	0.516	Contact Map
2w4eA	2	0.6555	99.9	0.559	Contact Map
2fvvA	1	0.6459	99.9	0.611	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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