DUT - HALSA - GREMLIN Contacts

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DUT - Probable deoxyuridine 5'-triphosphate nucleotidohydrolase

UniProt:	Q9HMF3	Sequences: MYERGAFVADHVEPVADDQIQPNGVDLTVDAVLEQTEPGRIDTDGKTIGDRSPVTPTADEDSTDTTVTIQPGTYILQYAETITIPENHVGFVYPRSSLMRNSCMLHSAVWDAGYTGRGEGLFEVHHEITIARGARVAQLVLATGDHENTYDGSYQHERTDTRPGE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	165 (144)
Sequences:	1799 (807)
Seq/√Len:	67.3

ECOLI - DCD
HALSA - DUT DCD
SULSO - DCD Q97UQ2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
83_T	115_T	5.563	1.00
28_T	79_A	3.983	1.00
27_L	137_A	3.894	1.00
110_W	118_G	3.331	1.00
87_N	143_T	3.198	1.00
12_V	25_V	3.151	1.00
79_A	133_G	2.813	1.00
103_C	128_I	2.565	1.00
19_Q	28_T	2.192	1.00
91_F	142_A	2.117	1.00
90_G	141_L	2.088	1.00
15_V	25_V	2.007	1.00
30_D	77_Q	1.980	1.00
81_T	115_T	1.964	1.00
23_N	112_A	1.915	1.00
84_I	90_G	1.900	1.00
15_V	20_I	1.856	1.00
115_T	156_H	1.801	1.00
30_D	133_G	1.800	1.00
84_I	88_H	1.725	1.00
36_T	75_I	1.600	0.99
114_Y	157_E	1.596	0.99
77_Q	117_R	1.592	0.99
27_L	139_L	1.586	0.99
96_S	100_R	1.577	0.99
66_T	129_T	1.559	0.99
56_P	63_T	1.530	0.99
111_D	154_Y	1.503	0.99
70_Q	127_E	1.488	0.99
16_A	19_Q	1.487	0.99
70_Q	73_T	1.480	0.99
117_R	159_T	1.478	0.99
110_W	139_L	1.429	0.98
66_T	131_A	1.399	0.98
108_A	111_D	1.398	0.98
68_T	129_T	1.383	0.98
86_E	149_T	1.367	0.98
74_Y	124_V	1.352	0.97
79_A	132_R	1.344	0.97
121_L	157_E	1.305	0.97
91_F	109_V	1.290	0.97
75_I	119_E	1.271	0.96
94_P	99_M	1.231	0.96
95_R	135_R	1.231	0.96
41_I	44_D	1.220	0.95
90_G	139_L	1.215	0.95
78_Y	120_G	1.204	0.95
98_L	134_A	1.198	0.95
14_P	80_E	1.190	0.95
46_K	49_G	1.182	0.94
76_L	94_P	1.170	0.94
107_S	111_D	1.168	0.94
32_V	77_Q	1.144	0.93
35_Q	102_S	1.136	0.93
26_D	95_R	1.123	0.93
94_P	106_H	1.117	0.93
120_G	124_V	1.117	0.93
111_D	114_Y	1.115	0.93
37_E	50_D	1.111	0.92
68_T	139_L	1.084	0.91
104_M	123_E	1.074	0.91
20_I	25_V	1.072	0.91
105_L	137_A	1.069	0.91
11_H	83_T	1.068	0.91
21_Q	138_Q	1.055	0.90
29_V	76_L	1.055	0.90
71_P	127_E	1.043	0.90
50_D	53_P	1.040	0.90
71_P	103_C	1.040	0.90
76_L	136_V	1.018	0.89
90_G	110_W	1.003	0.88
27_L	78_Y	1.003	0.88
21_Q	26_D	0.993	0.87
133_G	158_R	0.985	0.87
93_Y	106_H	0.978	0.87
96_S	138_Q	0.969	0.86
95_R	98_L	0.958	0.85
85_P	116_G	0.933	0.84
76_L	122_F	0.929	0.84
117_R	158_R	0.925	0.83
24_G	107_S	0.924	0.83
26_D	140_V	0.918	0.83
87_N	115_T	0.915	0.83
27_L	82_I	0.910	0.82
19_Q	135_R	0.908	0.82
24_G	108_A	0.905	0.82
73_T	135_R	0.905	0.82
69_I	122_F	0.903	0.82
42_D	45_G	0.899	0.82
48_I	53_P	0.888	0.81
104_M	125_H	0.884	0.80
99_M	121_L	0.877	0.80
16_A	28_T	0.874	0.80
24_G	109_V	0.871	0.79
95_R	153_S	0.869	0.79
103_C	124_V	0.867	0.79
85_P	88_H	0.866	0.79
65_T	68_T	0.846	0.77
56_P	127_E	0.844	0.77
86_E	113_G	0.840	0.77
53_P	56_P	0.833	0.76
23_N	124_V	0.826	0.76
29_V	130_I	0.824	0.76
122_F	130_I	0.810	0.74
92_V	110_W	0.801	0.73
97_S	138_Q	0.800	0.73
150_Y	154_Y	0.793	0.73
114_Y	118_G	0.792	0.73
13_E	16_A	0.791	0.73
93_Y	114_Y	0.784	0.72
65_T	132_R	0.781	0.72
26_D	135_R	0.772	0.71
100_R	138_Q	0.771	0.71
22_P	138_Q	0.764	0.70
109_V	114_Y	0.759	0.69
37_E	41_I	0.758	0.69
13_E	17_D	0.757	0.69
127_E	137_A	0.753	0.69
89_V	109_V	0.753	0.69
91_F	140_V	0.752	0.69
18_D	83_T	0.752	0.69
62_S	66_T	0.749	0.68
99_M	106_H	0.743	0.68
108_A	114_Y	0.721	0.65
33_L	132_R	0.716	0.65
17_D	139_L	0.712	0.64
86_E	141_L	0.707	0.64
78_Y	99_M	0.706	0.64
16_A	158_R	0.705	0.64
20_I	130_I	0.704	0.64
49_G	56_P	0.702	0.63
113_G	144_G	0.691	0.62
46_K	51_R	0.687	0.62
93_Y	121_L	0.685	0.61
13_E	18_D	0.683	0.61
81_T	117_R	0.682	0.61
94_P	157_E	0.678	0.61
37_E	52_S	0.674	0.60
111_D	116_G	0.664	0.59
89_V	140_V	0.663	0.59
93_Y	157_E	0.662	0.59
24_G	140_V	0.661	0.59
88_H	141_L	0.661	0.59
102_S	137_A	0.653	0.58
84_I	141_L	0.653	0.58
34_E	77_Q	0.651	0.58
24_G	152_G	0.651	0.58
83_T	86_E	0.650	0.57
23_N	131_A	0.645	0.57
46_K	52_S	0.644	0.57
64_D	67_V	0.642	0.57
130_I	144_G	0.639	0.56
37_E	40_R	0.637	0.56
151_D	158_R	0.636	0.56
17_D	20_I	0.636	0.56
75_I	94_P	0.635	0.56
109_V	142_A	0.630	0.55
35_Q	73_T	0.629	0.55
47_T	51_R	0.621	0.54
86_E	148_N	0.620	0.54
52_S	143_T	0.618	0.54
96_S	99_M	0.617	0.54
47_T	52_S	0.614	0.53
95_R	138_Q	0.609	0.53
124_V	141_L	0.609	0.53
78_Y	136_V	0.605	0.52
31_A	158_R	0.598	0.51
140_V	144_G	0.595	0.51
114_Y	140_V	0.595	0.51
95_R	100_R	0.593	0.51
31_A	143_T	0.592	0.51
103_C	122_F	0.588	0.50
13_E	52_S	0.586	0.50
129_T	132_R	0.578	0.49
107_S	110_W	0.577	0.49
69_I	137_A	0.573	0.48
68_T	73_T	0.570	0.48
44_D	112_A	0.568	0.48
27_L	116_G	0.567	0.48
38_P	126_H	0.562	0.47
120_G	137_A	0.561	0.47
82_I	139_L	0.561	0.47
103_C	109_V	0.558	0.47
89_V	125_H	0.557	0.46
78_Y	121_L	0.551	0.46
32_V	37_E	0.547	0.45
33_L	66_T	0.538	0.44
67_V	74_Y	0.538	0.44
31_A	52_S	0.538	0.44
15_V	19_Q	0.537	0.44
21_Q	78_Y	0.535	0.44
93_Y	99_M	0.533	0.44
64_D	132_R	0.531	0.43
75_I	120_G	0.529	0.43
67_V	92_V	0.527	0.43
34_E	136_V	0.526	0.43
49_G	53_P	0.522	0.42
112_A	144_G	0.522	0.42
103_C	123_E	0.520	0.42
51_R	55_T	0.520	0.42
52_S	56_P	0.520	0.42
77_Q	118_G	0.518	0.42
93_Y	140_V	0.515	0.42
31_A	53_P	0.515	0.42
47_T	85_P	0.514	0.41
16_A	120_G	0.513	0.41
29_V	74_Y	0.511	0.41
27_L	143_T	0.510	0.41
24_G	99_M	0.508	0.41
66_T	130_I	0.506	0.41
54_V	64_D	0.504	0.40
50_D	73_T	0.503	0.40
26_D	33_L	0.502	0.40
27_L	136_V	0.502	0.40
75_I	103_C	0.501	0.40
94_P	118_G	0.500	0.40

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
1pkhA	5	0.903	100	0.29	Contact Map
1xs1A	5	1	100	0.3	Contact Map
2qxxA	3	0.9879	100	0.309	Contact Map
4xjcA	3	0.9697	100	0.313	Contact Map
2yzjA	3	0.903	100	0.318	Contact Map
4dhkA	5	0.8727	100	0.331	Contact Map
3km3A	4	0.8364	100	0.334	Contact Map
2r9qA	4	0.8848	100	0.381	Contact Map
3lqwA	3	0.7273	99.9	0.585	Contact Map
1dunA	3	0.697	99.8	0.6	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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