NCPP - SULSO - GREMLIN Contacts

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NCPP - Probable non-canonical purine NTP phosphatase

UniProt:	Q97WI6	Sequences: MVTIALGSKNPVKISATKEALEILRLNWDLIATDIDSGVDKQPFCDQTYVGARNRALNAIKATNADIGLGIEGGVCNVYGKFIANAVVYVITKEGVENFAISSSFTLPSSIVSLILQGKELGEASDIIFKTINSKTKEGAVGLLTNNIIDRKTLYVQPIILALYPIYNTIINNTLF	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	176 (166)
Sequences:	596 (436)
Seq/√Len:	33.9

ECOLI - NCPP
SULSO - NCPP

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
114_L	119_K	3.664	1.00
114_L	127_I	3.053	1.00
15_S	18_K	2.849	1.00
5_A	65_A	2.609	1.00
133_N	136_T	2.552	1.00
6_L	30_L	2.534	1.00
4_I	21_L	2.514	1.00
114_L	124_A	2.334	0.99
125_S	140_A	2.328	0.99
77_N	116_L	2.316	0.99
78_V	81_K	2.267	0.99
35_I	58_N	2.254	0.99
53_R	89_Y	2.224	0.99
19_E	152_K	2.155	0.99
40_D	47_Q	2.145	0.99
84_A	105_F	2.052	0.98
19_E	156_V	2.046	0.98
119_K	127_I	2.045	0.98
86_A	155_Y	1.994	0.98
119_K	123_E	1.913	0.97
18_K	29_D	1.910	0.97
49_Y	99_F	1.882	0.97
111_I	128_I	1.864	0.97
53_R	97_E	1.824	0.96
17_T	71_I	1.823	0.96
56_A	70_G	1.817	0.96
7_G	56_A	1.796	0.96
23_I	156_V	1.698	0.95
152_K	156_V	1.672	0.94
38_G	58_N	1.627	0.93
12_V	152_K	1.624	0.93
33_T	59_A	1.592	0.93
88_V	159_I	1.580	0.92
5_A	59_A	1.566	0.92
41_K	123_E	1.558	0.92
37_S	54_N	1.513	0.91
20_A	160_I	1.490	0.90
46_D	87_V	1.486	0.90
119_K	124_A	1.481	0.90
129_F	143_L	1.473	0.89
3_T	31_I	1.473	0.89
101_I	104_S	1.472	0.89
45_C	115_I	1.453	0.89
3_T	29_D	1.419	0.87
158_P	162_A	1.410	0.87
11_P	122_G	1.408	0.87
98_N	166_I	1.407	0.87
11_P	136_T	1.398	0.87
24_L	69_L	1.363	0.85
46_D	104_S	1.351	0.85
88_V	162_A	1.344	0.84
103_S	161_L	1.339	0.84
125_S	134_S	1.338	0.84
131_T	138_E	1.325	0.84
21_L	163_L	1.320	0.83
103_S	157_Q	1.306	0.83
126_D	131_T	1.287	0.82
5_A	32_A	1.276	0.81
39_V	54_N	1.253	0.80
83_I	99_F	1.236	0.79
6_L	17_T	1.236	0.79
49_Y	89_Y	1.207	0.77
131_T	143_L	1.182	0.76
14_I	32_A	1.176	0.75
141_V	161_L	1.159	0.74
34_D	41_K	1.141	0.73
18_K	22_E	1.112	0.71
81_K	99_F	1.101	0.70
9_K	34_D	1.095	0.70
86_A	135_K	1.087	0.69
86_A	158_P	1.083	0.69
8_S	12_V	1.073	0.68
56_A	68_G	1.072	0.68
15_S	152_K	1.053	0.67
145_T	164_Y	1.052	0.67
107_L	121_L	1.046	0.66
98_N	162_A	1.035	0.66
102_S	154_L	1.031	0.65
135_K	155_Y	1.031	0.65
7_G	68_G	1.030	0.65
66_D	93_K	1.013	0.64
109_S	113_S	1.010	0.64
90_V	162_A	1.009	0.64
12_V	154_L	1.009	0.64
59_A	70_G	1.007	0.63
146_N	168_N	1.002	0.63
122_G	136_T	1.001	0.63
117_Q	132_I	1.000	0.63
21_L	25_R	0.983	0.61
120_E	126_D	0.982	0.61
9_K	14_I	0.972	0.61
6_L	12_V	0.956	0.59
73_G	121_L	0.953	0.59
20_A	163_L	0.942	0.58
44_F	82_F	0.937	0.58
73_G	142_G	0.936	0.58
73_G	141_V	0.931	0.57
162_A	165_P	0.930	0.57
107_L	140_A	0.919	0.56
126_D	135_K	0.916	0.56
113_S	117_Q	0.915	0.56
50_V	53_R	0.915	0.56
24_L	167_Y	0.915	0.56
69_L	90_V	0.901	0.55
46_D	101_I	0.901	0.55
15_S	19_E	0.900	0.55
44_F	115_I	0.876	0.53
100_A	107_L	0.875	0.53
82_F	112_V	0.874	0.53
39_V	51_G	0.869	0.52
57_L	61_K	0.864	0.52
149_I	157_Q	0.863	0.52
75_V	82_F	0.838	0.49
129_F	134_S	0.837	0.49
60_I	68_G	0.818	0.48
100_A	158_P	0.817	0.48
50_V	57_L	0.814	0.47
87_V	100_A	0.812	0.47
11_P	120_E	0.811	0.47
11_P	133_N	0.804	0.47
60_I	65_A	0.800	0.46
11_P	21_L	0.800	0.46
24_L	163_L	0.798	0.46
21_L	67_I	0.798	0.46
6_L	32_A	0.796	0.46
60_I	93_K	0.792	0.46
5_A	31_I	0.787	0.45
84_A	155_Y	0.780	0.45
56_A	59_A	0.778	0.44
60_I	95_G	0.774	0.44
52_A	74_G	0.773	0.44
149_I	161_L	0.771	0.44
141_V	154_L	0.770	0.44
53_R	57_L	0.769	0.44
87_V	149_I	0.769	0.44
86_A	102_S	0.768	0.44
86_A	154_L	0.762	0.43
4_I	61_K	0.760	0.43
8_S	126_D	0.758	0.43
82_F	87_V	0.757	0.43
10_N	139_G	0.756	0.43
89_Y	97_E	0.753	0.42
8_S	32_A	0.740	0.41
9_K	40_D	0.740	0.41
102_S	125_S	0.739	0.41
114_L	117_Q	0.737	0.41
105_F	154_L	0.728	0.40
125_S	154_L	0.712	0.39
4_I	137_K	0.704	0.38
88_V	155_Y	0.703	0.38
108_P	122_G	0.703	0.38
122_G	125_S	0.702	0.38
41_K	119_K	0.697	0.38
150_D	153_T	0.696	0.38
157_Q	161_L	0.694	0.38
92_T	95_G	0.690	0.37
54_N	126_D	0.689	0.37
66_D	147_N	0.687	0.37
7_G	70_G	0.686	0.37
15_S	113_S	0.683	0.37
18_K	132_I	0.678	0.36
42_Q	48_T	0.677	0.36
131_T	134_S	0.676	0.36
88_V	158_P	0.674	0.36
6_L	14_I	0.673	0.36
73_G	155_Y	0.668	0.36
73_G	84_A	0.667	0.35
126_D	129_F	0.666	0.35
42_Q	140_A	0.662	0.35
89_Y	99_F	0.662	0.35
85_N	101_I	0.661	0.35
102_S	155_Y	0.657	0.35
67_I	133_N	0.657	0.35
126_D	133_N	0.656	0.35
21_L	69_L	0.653	0.34
48_T	165_P	0.648	0.34
111_I	115_I	0.640	0.33
35_I	38_G	0.640	0.33
85_N	155_Y	0.639	0.33
46_D	85_N	0.639	0.33
71_I	155_Y	0.636	0.33
15_S	136_T	0.631	0.33
18_K	66_D	0.630	0.33
40_D	45_C	0.627	0.32
67_I	148_I	0.625	0.32
8_S	17_T	0.622	0.32
17_T	68_G	0.621	0.32
107_L	115_I	0.616	0.32
153_T	160_I	0.616	0.32
7_G	99_F	0.615	0.32
35_I	39_V	0.615	0.32
37_S	51_G	0.610	0.31
134_S	143_L	0.609	0.31
87_V	101_I	0.609	0.31
60_I	92_T	0.606	0.31
105_F	164_Y	0.604	0.31
15_S	64_N	0.604	0.31
48_T	74_G	0.604	0.31
146_N	167_Y	0.598	0.30
149_I	160_I	0.597	0.30
38_G	57_L	0.593	0.30
98_N	165_P	0.593	0.30
53_R	124_A	0.592	0.30
48_T	140_A	0.589	0.30
158_P	166_I	0.588	0.30
7_G	16_A	0.587	0.30
36_D	40_D	0.587	0.30
112_V	116_L	0.586	0.29
118_G	122_G	0.586	0.29
159_I	166_I	0.585	0.29
34_D	58_N	0.581	0.29
19_E	22_E	0.579	0.29
36_D	111_I	0.579	0.29
100_A	154_L	0.577	0.29
39_V	47_Q	0.570	0.28
61_K	123_E	0.568	0.28
28_W	130_K	0.563	0.28
149_I	154_L	0.563	0.28
26_L	30_L	0.562	0.28
68_G	84_A	0.560	0.28
49_Y	53_R	0.557	0.27
75_V	111_I	0.555	0.27
122_G	161_L	0.549	0.27
111_I	138_E	0.544	0.27
86_A	129_F	0.542	0.27
100_A	157_Q	0.537	0.26
124_A	127_I	0.536	0.26
115_I	156_V	0.535	0.26
48_T	86_A	0.535	0.26
86_A	124_A	0.533	0.26
31_I	60_I	0.532	0.26
23_I	33_T	0.526	0.25
117_Q	169_T	0.525	0.25
111_I	140_A	0.523	0.25
88_V	102_S	0.522	0.25
78_V	106_T	0.520	0.25
154_L	164_Y	0.520	0.25
17_T	23_I	0.518	0.25
148_I	160_I	0.515	0.25
86_A	122_G	0.514	0.25
20_A	159_I	0.514	0.25
158_P	165_P	0.512	0.25
45_C	162_A	0.512	0.25
75_V	99_F	0.508	0.24
84_A	154_L	0.504	0.24
84_A	102_S	0.504	0.24
14_I	97_E	0.503	0.24
48_T	103_S	0.502	0.24
103_S	155_Y	0.500	0.24

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
1u14A	1	0.9318	100	0.104	Contact Map
1zwyA	4	0.9659	100	0.131	Contact Map
3brcA	4	0.6761	80.5	0.93	Contact Map
3wb0A	4	0.6818	74.7	0.933	Contact Map
1k7kA	1	0.7557	61.9	0.939	Contact Map
1b78A	2	0.6818	50.1	0.943	Contact Map
2carA	2	0.733	46.7	0.944	Contact Map
4bnqA	2	0.8239	45.9	0.944	Contact Map
1vp2A	3	0.7216	45.1	0.945	Contact Map
1v7rA	1	0.6932	41.3	0.946	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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