NTPA - BACSU - GREMLIN Contacts

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NTPA - Non-canonical purine NTP pyrophosphatase

UniProt:	P94558	Sequences: MIIMKEAIIATHNPGKVKEFKEILEPRGYDVKSLAEIGFTEEIEETGHTFEENAIMKAEAVAKAVNKMVIADDSGLSIDNLGGRPGVYSARYAGEQKDDQANIEKVLSELKGIEKEQRTARFRCALAVSIPGEETKTVEGHVEGYIAEEPRGEYGFGYDPIFIVKDKDKTMAELTSDEKNKISHRADALKKLSKLLEA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	198 (188)
Sequences:	4641 (3224)
Seq/√Len:	235.1

ECOLI - RDGB
BACSU - NTPA
HALSA - Q9HNL8
SULSO - NTPA

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_G	52_E	3.329	1.00
151_R	173_E	3.038	1.00
142_V	171_M	3.029	1.00
84_R	109_E	2.688	1.00
103_I	161_I	2.679	1.00
77_S	121_R	2.399	1.00
175_T	178_E	2.390	1.00
46_T	56_M	2.363	1.00
121_R	141_H	2.356	1.00
6_E	32_K	2.327	1.00
6_E	30_D	2.316	1.00
147_A	170_T	2.267	1.00
54_A	127_A	2.261	1.00
105_K	109_E	2.248	1.00
121_R	143_E	2.219	1.00
169_K	178_E	2.147	1.00
79_D	119_T	2.139	1.00
78_I	106_V	2.048	1.00
138_V	195_L	2.025	1.00
51_E	139_E	2.013	1.00
79_D	121_R	1.972	1.00
92_Y	109_E	1.952	1.00
77_S	123_R	1.942	1.00
147_A	163_I	1.923	1.00
15_G	18_K	1.907	1.00
98_D	101_A	1.903	1.00
100_Q	104_E	1.881	1.00
108_S	111_K	1.860	1.00
79_D	117_Q	1.832	1.00
123_R	139_E	1.827	1.00
100_Q	150_P	1.772	1.00
104_E	150_P	1.769	1.00
55_I	59_E	1.744	1.00
17_V	33_S	1.644	1.00
167_K	178_E	1.637	1.00
22_E	180_N	1.635	1.00
6_E	67_K	1.628	1.00
59_E	135_T	1.626	1.00
114_E	117_Q	1.597	1.00
186_A	190_K	1.558	1.00
127_A	137_T	1.544	1.00
103_I	150_P	1.484	1.00
68_M	128_V	1.469	1.00
43_I	60_A	1.459	1.00
55_I	137_T	1.446	1.00
55_I	135_T	1.442	1.00
32_K	37_I	1.426	1.00
187_D	190_K	1.422	1.00
9_I	20_F	1.407	1.00
48_H	52_E	1.404	1.00
59_E	63_K	1.402	1.00
147_A	151_R	1.391	1.00
58_A	127_A	1.376	1.00
12_H	35_A	1.361	1.00
84_R	92_Y	1.359	1.00
145_Y	165_K	1.352	1.00
104_E	108_S	1.348	1.00
43_I	56_M	1.340	1.00
50_F	77_S	1.338	1.00
51_E	137_T	1.312	1.00
136_K	195_L	1.310	1.00
8_I	61_V	1.298	1.00
145_Y	163_I	1.266	1.00
178_E	181_K	1.251	1.00
62_A	131_P	1.229	1.00
128_V	192_L	1.222	1.00
60_A	64_A	1.219	1.00
11_T	17_V	1.212	1.00
163_I	168_D	1.196	1.00
112_G	148_E	1.185	1.00
97_K	101_A	1.177	1.00
62_A	129_S	1.172	1.00
120_A	146_I	1.162	1.00
96_Q	101_A	1.149	1.00
50_F	74_S	1.147	1.00
65_V	69_V	1.146	1.00
93_A	102_N	1.141	1.00
164_V	174_L	1.141	1.00
174_L	178_E	1.130	1.00
163_I	166_D	1.127	1.00
107_L	161_I	1.120	1.00
51_E	127_A	1.117	1.00
39_F	65_V	1.114	1.00
167_K	182_I	1.102	1.00
123_R	141_H	1.099	1.00
169_K	174_L	1.092	1.00
191_K	194_K	1.089	1.00
55_I	127_A	1.085	1.00
47_G	56_M	1.070	1.00
143_E	165_K	1.070	1.00
106_V	161_I	1.069	1.00
14_P	18_K	1.057	1.00
166_D	187_D	1.055	1.00
44_E	56_M	1.054	1.00
61_V	69_V	1.053	1.00
20_F	126_L	1.052	1.00
93_A	101_A	1.045	1.00
70_I	192_L	1.020	1.00
76_L	146_I	1.019	1.00
56_M	60_A	1.005	1.00
70_I	126_L	1.001	1.00
129_S	135_T	0.997	1.00
164_V	167_K	0.995	1.00
8_I	67_K	0.989	1.00
49_T	87_V	0.969	1.00
103_I	160_P	0.968	1.00
55_I	129_S	0.966	1.00
32_K	36_E	0.962	1.00
59_E	129_S	0.961	1.00
138_V	192_L	0.961	1.00
113_I	117_Q	0.956	1.00
126_L	192_L	0.953	1.00
107_L	118_R	0.949	1.00
26_P	193_S	0.937	1.00
167_K	174_L	0.936	1.00
79_D	83_G	0.922	1.00
130_I	133_E	0.910	1.00
58_A	129_S	0.906	1.00
12_H	34_L	0.905	1.00
125_A	139_E	0.897	0.99
119_T	143_E	0.893	0.99
80_N	113_I	0.893	0.99
8_I	69_V	0.889	0.99
154_Y	175_T	0.889	0.99
74_S	124_C	0.888	0.99
89_S	158_Y	0.887	0.99
99_D	102_N	0.872	0.99
68_M	130_I	0.872	0.99
17_V	21_K	0.867	0.99
191_K	195_L	0.863	0.99
164_V	182_I	0.859	0.99
171_M	174_L	0.853	0.99
43_I	61_V	0.851	0.99
138_V	191_K	0.848	0.99
126_L	189_L	0.840	0.99
125_A	137_T	0.838	0.99
152_G	172_A	0.826	0.99
15_G	20_F	0.822	0.99
22_E	176_S	0.820	0.99
190_K	193_S	0.814	0.99
101_A	104_E	0.812	0.99
93_A	105_K	0.811	0.99
142_V	187_D	0.806	0.99
22_E	25_E	0.796	0.99
17_V	31_V	0.794	0.99
53_N	87_V	0.787	0.99
142_V	182_I	0.783	0.99
93_A	97_K	0.780	0.99
49_T	52_E	0.774	0.99
9_I	70_I	0.770	0.98
130_I	134_E	0.770	0.98
40_T	64_A	0.763	0.98
147_A	161_I	0.762	0.98
33_S	36_E	0.762	0.98
92_Y	105_K	0.753	0.98
110_L	146_I	0.750	0.98
60_A	63_K	0.748	0.98
9_I	31_V	0.738	0.98
20_F	189_L	0.736	0.98
113_I	118_R	0.735	0.98
8_I	65_V	0.732	0.98
76_L	122_F	0.725	0.98
21_K	30_D	0.724	0.98
164_V	171_M	0.720	0.98
187_D	191_K	0.717	0.98
102_N	105_K	0.716	0.98
190_K	194_K	0.714	0.97
112_G	118_R	0.714	0.97
159_D	179_K	0.709	0.97
153_E	173_E	0.695	0.97
15_G	99_D	0.693	0.97
34_L	61_V	0.692	0.97
12_H	39_F	0.686	0.97
20_F	24_L	0.685	0.97
18_K	22_E	0.684	0.97
110_L	118_R	0.683	0.97
14_P	35_A	0.682	0.97
42_E	45_E	0.682	0.97
107_L	147_A	0.679	0.97
170_T	173_E	0.677	0.97
119_T	145_Y	0.671	0.96
164_V	168_D	0.669	0.96
111_K	148_E	0.669	0.96
18_K	21_K	0.668	0.96
15_G	23_I	0.666	0.96
179_K	183_S	0.663	0.96
48_H	87_V	0.658	0.96
87_V	91_R	0.657	0.96
145_Y	148_E	0.655	0.96
79_D	143_E	0.654	0.96
151_R	163_I	0.653	0.96
125_A	138_V	0.651	0.96
18_K	176_S	0.648	0.96
48_H	88_Y	0.647	0.96
102_N	106_V	0.646	0.96
140_G	187_D	0.644	0.95
23_I	189_L	0.644	0.95
50_F	123_R	0.642	0.95
14_P	21_K	0.638	0.95
169_K	173_E	0.635	0.95
171_M	182_I	0.631	0.95
23_I	176_S	0.631	0.95
95_E	98_D	0.629	0.95
124_C	188_A	0.629	0.95
21_K	36_E	0.622	0.94
113_I	119_T	0.619	0.94
122_F	161_I	0.619	0.94
70_I	128_V	0.616	0.94
74_S	103_I	0.616	0.94
23_I	126_L	0.610	0.94
109_E	112_G	0.608	0.94
105_K	108_S	0.607	0.94
21_K	25_E	0.606	0.94
163_I	167_K	0.603	0.94
39_F	64_A	0.602	0.93
156_F	159_D	0.601	0.93
163_I	169_K	0.601	0.93
19_E	180_N	0.600	0.93
19_E	179_K	0.599	0.93
122_F	171_M	0.598	0.93
34_L	38_G	0.597	0.93
156_F	179_K	0.593	0.93
103_I	107_L	0.588	0.93
122_F	158_Y	0.586	0.93
128_V	136_K	0.583	0.92
34_L	39_F	0.579	0.92
181_K	186_A	0.578	0.92
50_F	75_G	0.577	0.92
66_N	69_V	0.577	0.92
93_A	98_D	0.577	0.92
94_G	97_K	0.577	0.92
114_E	118_R	0.574	0.92
114_E	119_T	0.573	0.92
14_P	36_E	0.573	0.92
51_E	125_A	0.572	0.92
107_L	110_L	0.568	0.91
40_T	60_A	0.568	0.91
97_K	102_N	0.565	0.91
62_A	68_M	0.565	0.91
146_I	161_I	0.565	0.91
78_I	120_A	0.564	0.91
151_R	170_T	0.564	0.91
103_I	106_V	0.562	0.91
54_A	137_T	0.561	0.91
45_E	57_K	0.558	0.91
22_E	177_D	0.556	0.91
99_D	106_V	0.553	0.90
62_A	130_I	0.552	0.90
110_L	113_I	0.550	0.90
139_E	191_K	0.548	0.90
20_F	70_I	0.548	0.90
180_N	183_S	0.545	0.90
152_G	156_F	0.543	0.89
34_L	43_I	0.543	0.89
82_G	85_P	0.540	0.89
40_T	61_V	0.539	0.89
7_A	128_V	0.536	0.89
172_A	180_N	0.533	0.89
150_P	160_P	0.532	0.89
130_I	136_K	0.531	0.88
77_S	83_G	0.531	0.88
19_E	185_R	0.528	0.88
23_I	180_N	0.524	0.88
165_K	168_D	0.522	0.88
118_R	146_I	0.521	0.87
46_T	87_V	0.520	0.87
150_P	161_I	0.519	0.87
175_T	186_A	0.516	0.87
117_Q	145_Y	0.515	0.87
94_G	98_D	0.514	0.87
125_A	140_G	0.513	0.87
78_I	161_I	0.512	0.87
169_K	175_T	0.511	0.86
63_K	66_N	0.511	0.86
101_A	105_K	0.507	0.86
166_D	169_K	0.506	0.86
97_K	106_V	0.505	0.86
118_R	147_A	0.503	0.86
74_S	89_S	0.503	0.86
62_A	69_V	0.502	0.86
78_I	81_L	0.500	0.85
142_V	164_V	0.500	0.85

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
1k7kA	1	0.9848	100	0.023	Contact Map
1vp2A	3	0.9394	100	0.053	Contact Map
3tquA	2	0.9798	100	0.065	Contact Map
2carA	2	0.9343	100	0.083	Contact Map
1b78A	2	0.9091	100	0.084	Contact Map
1v7rA	1	0.9192	100	0.084	Contact Map
4bnqA	2	0.9596	100	0.106	Contact Map
4jhcA	2	0.7525	96.6	0.892	Contact Map
2amhA	1	0.7778	96.1	0.898	Contact Map
1ex2A	2	0.7576	95.5	0.902	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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