NTPA - SULSO - GREMLIN Contacts

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NTPA - Non-canonical purine NTP pyrophosphatase

UniProt:	Q97ZZ0	Sequences: MLRRGVKIGVLTNNENKFIELKEIAKNFNIELEHLRGEKIEIQSDDLEEISRTAANLAYLIFRRPLIVDDSGLFVQALQNFPGPYTNFVKNTIGLKGILKLLEGIKDRSAYFMTALTFTDGKIIKTFIGIVKGAISEEIRGNLGFGFDPIFIPEGEKRTFAEMSLEEKNRYSHRARAFAKFAEFLESYTEKE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	192 (181)
Sequences:	4629 (3253)
Seq/√Len:	241.8

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
44_S	49_E	3.393	1.00
131_V	160_F	3.081	1.00
140_R	162_E	2.969	1.00
95_L	150_I	2.687	1.00
81_F	101_L	2.676	1.00
74_F	111_Y	2.424	1.00
164_S	167_E	2.399	1.00
43_Q	53_T	2.383	1.00
111_Y	130_I	2.323	1.00
97_G	101_L	2.300	1.00
136_S	159_T	2.273	1.00
51_S	117_T	2.262	1.00
7_K	31_E	2.262	1.00
158_R	167_E	2.253	1.00
111_Y	132_K	2.235	1.00
7_K	33_E	2.213	1.00
76_Q	109_S	2.188	1.00
127_F	184_F	2.168	1.00
90_K	93_I	2.150	1.00
75_V	98_I	2.002	1.00
89_V	101_L	1.991	1.00
76_Q	111_Y	1.986	1.00
48_E	128_I	1.978	1.00
74_F	113_M	1.951	1.00
16_N	19_I	1.907	1.00
136_S	152_I	1.904	1.00
100_K	103_E	1.879	1.00
76_Q	107_D	1.854	1.00
113_M	128_I	1.815	1.00
96_K	139_I	1.767	1.00
92_T	96_K	1.731	1.00
56_N	124_I	1.681	1.00
92_T	139_I	1.676	1.00
52_R	56_N	1.660	1.00
18_F	34_H	1.645	1.00
7_K	64_R	1.630	1.00
23_E	169_N	1.611	1.00
156_E	167_E	1.583	1.00
117_T	126_T	1.558	1.00
175_A	179_A	1.536	1.00
40_I	57_L	1.498	1.00
65_P	118_F	1.472	1.00
52_R	124_I	1.456	1.00
95_L	139_I	1.452	1.00
136_S	140_R	1.446	1.00
10_V	21_L	1.440	1.00
81_F	89_V	1.416	1.00
40_I	53_T	1.416	1.00
176_R	179_A	1.407	1.00
52_R	126_T	1.400	1.00
55_A	117_T	1.387	1.00
45_D	49_E	1.385	1.00
56_N	60_L	1.381	1.00
13_N	36_R	1.357	1.00
9_G	58_A	1.350	1.00
125_K	184_F	1.326	1.00
134_A	154_E	1.317	1.00
47_L	74_F	1.308	1.00
96_K	100_K	1.297	1.00
167_E	170_R	1.283	1.00
48_E	126_T	1.266	1.00
118_F	181_F	1.264	1.00
134_A	152_I	1.259	1.00
38_E	61_I	1.232	1.00
152_I	157_K	1.213	1.00
163_M	167_E	1.206	1.00
12_T	18_F	1.205	1.00
59_Y	119_T	1.197	1.00
104_G	137_E	1.188	1.00
152_I	155_G	1.165	1.00
57_L	61_I	1.162	1.00
47_L	71_S	1.158	1.00
153_P	163_M	1.143	1.00
110_A	135_I	1.135	1.00
62_F	66_L	1.134	1.00
99_L	150_I	1.121	1.00
158_R	163_M	1.111	1.00
113_M	130_I	1.107	1.00
59_Y	120_D	1.099	1.00
156_E	171_Y	1.092	1.00
48_E	117_T	1.087	1.00
180_K	183_E	1.084	1.00
52_R	117_T	1.081	1.00
15_E	19_I	1.066	1.00
132_K	154_E	1.056	1.00
58_A	66_L	1.046	1.00
21_L	116_L	1.038	1.00
9_G	64_R	1.035	1.00
44_S	53_T	1.027	1.00
155_G	176_R	1.012	1.00
67_I	116_L	1.008	1.00
98_I	150_I	1.007	1.00
91_N	94_G	1.002	1.00
73_L	135_I	1.000	1.00
119_T	124_I	0.988	1.00
153_P	156_E	0.987	1.00
53_T	57_L	0.975	1.00
67_I	181_F	0.962	1.00
94_G	97_G	0.954	1.00
27_N	182_A	0.952	1.00
76_Q	80_N	0.951	1.00
33_E	37_G	0.949	1.00
95_L	149_P	0.949	1.00
99_L	108_R	0.948	1.00
156_E	163_M	0.943	1.00
52_R	119_T	0.935	1.00
13_N	35_L	0.932	1.00
116_L	181_F	0.932	1.00
46_D	84_P	0.928	1.00
55_A	119_T	0.927	1.00
143_L	164_S	0.925	1.00
109_S	132_K	0.921	1.00
56_N	119_T	0.916	1.00
71_S	114_T	0.913	1.00
182_A	186_E	0.906	1.00
127_F	181_F	0.903	1.00
153_P	171_Y	0.901	1.00
160_F	163_M	0.889	1.00
86_T	147_F	0.888	1.00
9_G	66_L	0.887	1.00
18_F	22_K	0.884	0.99
180_K	184_F	0.881	0.99
115_A	128_I	0.872	0.99
179_A	182_A	0.869	0.99
40_I	58_A	0.865	0.99
41_E	53_T	0.851	0.99
116_L	178_F	0.851	0.99
77_A	105_I	0.849	0.99
93_I	96_K	0.841	0.99
23_E	165_L	0.839	0.99
16_N	21_L	0.839	0.99
141_G	161_A	0.836	0.99
127_F	180_K	0.823	0.99
115_A	126_T	0.817	0.99
38_E	57_L	0.803	0.99
18_F	32_L	0.785	0.99
50_I	84_P	0.784	0.99
131_V	176_R	0.783	0.99
179_A	183_E	0.779	0.99
94_G	98_I	0.774	0.99
23_E	26_K	0.772	0.99
57_L	60_L	0.772	0.99
131_V	171_Y	0.756	0.98
89_V	97_G	0.754	0.98
102_L	135_I	0.746	0.98
136_S	150_I	0.745	0.98
90_K	94_G	0.744	0.98
153_P	160_F	0.741	0.98
21_L	178_F	0.738	0.98
10_V	67_I	0.737	0.98
99_L	136_S	0.734	0.98
183_E	186_E	0.733	0.98
148_D	168_K	0.732	0.98
120_D	123_I	0.731	0.98
153_P	157_K	0.731	0.98
95_L	98_I	0.727	0.98
45_D	85_Y	0.724	0.98
109_S	134_A	0.718	0.98
104_G	108_R	0.718	0.98
73_L	112_F	0.717	0.98
105_I	108_R	0.716	0.98
19_I	23_E	0.715	0.98
9_G	62_F	0.711	0.98
84_P	88_F	0.707	0.98
34_H	37_G	0.707	0.98
159_T	162_E	0.703	0.97
168_K	172_S	0.703	0.97
115_A	127_F	0.701	0.97
10_V	32_L	0.698	0.97
21_L	25_A	0.688	0.97
16_N	91_N	0.680	0.97
134_A	137_E	0.677	0.97
46_D	49_E	0.677	0.97
45_D	84_P	0.670	0.97
105_I	109_S	0.669	0.97
16_N	24_I	0.664	0.96
91_N	98_I	0.662	0.96
19_I	165_L	0.661	0.96
95_L	99_L	0.660	0.96
76_Q	132_K	0.659	0.96
142_N	162_E	0.658	0.96
15_E	36_R	0.655	0.96
145_F	168_K	0.654	0.96
20_E	169_N	0.651	0.96
176_R	180_K	0.650	0.96
67_I	118_F	0.649	0.96
71_S	95_L	0.647	0.96
19_I	22_K	0.647	0.96
47_L	113_M	0.645	0.96
97_G	100_K	0.643	0.96
24_I	178_F	0.639	0.96
158_R	162_E	0.639	0.96
15_E	22_K	0.638	0.96
114_T	177_A	0.636	0.95
6_V	30_I	0.635	0.95
103_E	137_E	0.634	0.95
129_G	176_R	0.632	0.95
33_E	36_R	0.631	0.95
8_I	118_F	0.630	0.95
102_L	108_R	0.628	0.95
145_F	148_D	0.627	0.95
140_R	152_I	0.626	0.95
20_E	168_K	0.625	0.95
160_F	171_Y	0.624	0.95
101_L	104_G	0.619	0.95
112_F	147_F	0.617	0.95
152_I	158_R	0.614	0.95
112_F	150_I	0.612	0.94
181_F	185_L	0.612	0.94
22_K	31_E	0.610	0.94
13_N	38_E	0.607	0.94
59_Y	65_P	0.606	0.94
24_I	165_L	0.605	0.94
170_R	175_A	0.603	0.94
24_I	116_L	0.599	0.94
112_F	160_F	0.599	0.94
139_I	149_P	0.593	0.93
152_I	156_E	0.592	0.93
60_L	63_R	0.586	0.93
39_K	54_A	0.583	0.93
43_Q	84_P	0.577	0.93
59_Y	66_L	0.576	0.92
51_S	126_T	0.575	0.92
140_R	159_T	0.574	0.92
118_F	125_K	0.571	0.92
35_L	58_A	0.571	0.92
99_L	102_L	0.565	0.92
47_L	72_G	0.565	0.92
169_N	172_S	0.563	0.92
63_R	66_L	0.558	0.91
22_K	26_K	0.556	0.91
79_Q	82_P	0.551	0.91
23_E	166_E	0.551	0.91
13_N	40_I	0.549	0.91
42_I	50_I	0.548	0.91
92_T	95_L	0.546	0.90
42_I	88_F	0.545	0.90
74_F	80_N	0.544	0.90
154_E	157_K	0.544	0.90
93_I	97_G	0.544	0.90
22_K	37_G	0.543	0.90
28_F	186_E	0.543	0.90
21_L	67_I	0.542	0.90
158_R	164_S	0.541	0.90
135_I	150_I	0.540	0.90
161_A	169_N	0.539	0.90
108_R	135_I	0.536	0.90
48_E	115_A	0.533	0.89
140_R	158_R	0.530	0.89
128_I	180_K	0.530	0.89
107_D	134_A	0.529	0.89
108_R	136_S	0.527	0.89
15_E	18_F	0.525	0.89
75_V	110_A	0.525	0.89
91_N	95_L	0.523	0.88
20_E	174_R	0.519	0.88
139_I	150_I	0.519	0.88
13_N	58_A	0.516	0.88
143_L	165_L	0.515	0.88
15_E	37_G	0.514	0.88
144_G	148_D	0.512	0.87
119_T	122_K	0.512	0.87
75_V	150_I	0.511	0.87
145_F	149_P	0.508	0.87
141_G	145_F	0.507	0.87
6_V	31_E	0.507	0.87
24_I	169_N	0.507	0.87
8_I	67_I	0.504	0.87
65_P	120_D	0.504	0.87
69_D	116_L	0.503	0.86
43_Q	85_Y	0.500	0.86
115_A	129_G	0.500	0.86

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
1v7rA	1	0.9688	100	0.052	Contact Map
1b78A	2	0.9479	100	0.071	Contact Map
1k7kA	1	0.974	100	0.085	Contact Map
2carA	2	0.9792	100	0.086	Contact Map
1vp2A	3	0.9479	100	0.092	Contact Map
3tquA	2	0.9583	100	0.122	Contact Map
4bnqA	2	0.9583	100	0.154	Contact Map
2amhA	1	0.8229	94.4	0.907	Contact Map
4jhcA	2	0.7865	94.1	0.908	Contact Map
4p0eA	2	0.7865	93.4	0.911	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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