QUEF - BACSU - GREMLIN Contacts

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QUEF - NADPH-dependent 7-cyano-7-deazaguanine reductase

UniProt:	O31678	Sequences: MTTRKESELEGVTLLGNQGTNYLFEYAPDVLESFPNKHVNRDYFVKFNCPEFTSLCPKTGQPDFATIYISYIPDEKMVESKSLKLYLFSFRNHGDFHEDCMNIIMNDLIELMDPRYIEVWGKFTPRGGISIDPYTNYGKPGTKYEKMAEYRMMNHDLYPETIDNR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	165 (133)
Sequences:	695 (218)
Seq/√Len:	18.9

ECOLI - QUEF
BACSU - QUEF

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
41_R	106_N	4.158	1.00
33_S	76_K	4.089	1.00
22_Y	88_F	3.804	1.00
42_D	115_R	3.667	1.00
38_H	106_N	3.238	0.99
12_V	32_E	3.074	0.99
101_M	121_G	2.694	0.98
36_N	121_G	2.495	0.97
103_I	107_D	2.370	0.96
69_I	83_L	2.325	0.95
13_T	32_E	2.245	0.94
86_Y	107_D	2.227	0.94
102_N	105_M	2.210	0.94
54_S	100_C	2.206	0.93
109_I	137_Y	2.154	0.93
105_M	109_I	2.137	0.92
108_L	112_M	2.047	0.91
105_M	117_I	2.016	0.90
122_K	132_D	1.921	0.88
86_Y	103_I	1.881	0.86
41_R	105_M	1.876	0.86
49_C	87_L	1.805	0.84
33_S	111_L	1.804	0.84
26_Y	58_K	1.800	0.84
45_V	77_M	1.713	0.81
33_S	112_M	1.638	0.77
74_D	113_D	1.600	0.76
41_R	102_N	1.581	0.75
101_M	133_P	1.533	0.72
24_F	28_P	1.527	0.72
105_M	135_T	1.485	0.70
36_N	43_Y	1.438	0.67
78_V	111_L	1.414	0.66
42_D	72_I	1.376	0.64
58_K	94_G	1.315	0.60
74_D	115_R	1.314	0.60
74_D	139_K	1.313	0.60
59_T	96_F	1.291	0.59
46_K	120_W	1.275	0.58
61_Q	96_F	1.269	0.57
120_W	132_D	1.244	0.56
38_H	99_D	1.242	0.56
45_V	73_P	1.238	0.56
40_N	115_R	1.230	0.55
78_V	108_L	1.206	0.54
82_S	87_L	1.194	0.53
65_A	140_P	1.159	0.51
78_V	112_M	1.137	0.49
28_P	40_N	1.120	0.48
9_L	12_V	1.115	0.48
80_S	131_I	1.114	0.48
96_F	128_G	1.101	0.47
17_N	35_P	1.077	0.45
12_V	45_V	1.075	0.45
44_F	72_I	1.057	0.44
10_E	13_T	1.056	0.44
35_P	75_E	1.045	0.43
57_P	94_G	1.023	0.42
67_I	119_V	1.005	0.41
109_I	135_T	0.996	0.40
89_S	131_I	0.989	0.40
120_W	134_Y	0.969	0.39
97_H	100_C	0.968	0.39
46_K	70_S	0.961	0.38
30_V	86_Y	0.961	0.38
83_L	87_L	0.956	0.38
12_V	99_D	0.955	0.38
70_S	130_S	0.950	0.38
42_D	74_D	0.924	0.36
90_F	99_D	0.922	0.36
11_G	17_N	0.906	0.35
67_I	101_M	0.902	0.35
57_P	81_K	0.890	0.34
47_F	132_D	0.877	0.33
76_K	113_D	0.862	0.33
66_T	123_F	0.858	0.32
86_Y	110_E	0.848	0.32
34_F	77_M	0.845	0.32
10_E	74_D	0.844	0.32
137_Y	141_G	0.843	0.32
13_T	17_N	0.842	0.32
59_T	128_G	0.838	0.31
138_G	142_T	0.827	0.31
61_Q	128_G	0.825	0.31
35_P	110_E	0.825	0.31
11_G	20_T	0.820	0.30
17_N	60_G	0.820	0.30
47_F	131_I	0.806	0.30
10_E	33_S	0.801	0.29
11_G	37_K	0.781	0.28
21_N	67_I	0.780	0.28
77_M	106_N	0.779	0.28
10_E	21_N	0.774	0.28
41_R	77_M	0.770	0.28
68_Y	122_K	0.770	0.28
125_P	130_S	0.768	0.28
60_G	73_P	0.767	0.28
109_I	117_I	0.763	0.27
14_L	60_G	0.758	0.27
23_L	27_A	0.757	0.27
38_H	103_I	0.745	0.27
57_P	95_D	0.745	0.27
46_K	138_G	0.738	0.26
37_K	95_D	0.725	0.26
39_V	74_D	0.719	0.25
51_E	84_K	0.719	0.25
26_Y	118_E	0.713	0.25
116_Y	125_P	0.713	0.25
97_H	131_I	0.712	0.25
70_S	122_K	0.711	0.25
44_F	90_F	0.710	0.25
10_E	75_E	0.704	0.25
117_I	135_T	0.702	0.24
77_M	112_M	0.701	0.24
90_F	140_P	0.698	0.24
61_Q	131_I	0.691	0.24
91_R	128_G	0.686	0.24
100_C	131_I	0.680	0.23
54_S	59_T	0.678	0.23
70_S	118_E	0.675	0.23
103_I	110_E	0.675	0.23
9_L	17_N	0.674	0.23
46_K	132_D	0.661	0.23
99_D	103_I	0.659	0.22
11_G	75_E	0.658	0.22
40_N	106_N	0.656	0.22
15_L	59_T	0.656	0.22
36_N	101_M	0.655	0.22
48_N	130_S	0.652	0.22
26_Y	80_S	0.651	0.22
38_H	104_I	0.651	0.22
67_I	140_P	0.649	0.22
75_E	113_D	0.648	0.22
76_K	112_M	0.647	0.22
81_K	84_K	0.645	0.22
53_T	57_P	0.643	0.22
46_K	134_Y	0.642	0.22
50_P	125_P	0.642	0.22
13_T	35_P	0.640	0.22
76_K	111_L	0.636	0.22
69_I	87_L	0.630	0.21
33_S	105_M	0.625	0.21
53_T	81_K	0.624	0.21
9_L	103_I	0.615	0.21
32_E	82_S	0.613	0.21
86_Y	137_Y	0.612	0.20
95_D	103_I	0.612	0.20
46_K	122_K	0.609	0.20
79_E	84_K	0.605	0.20
17_N	42_D	0.598	0.20
77_M	99_D	0.595	0.20
32_E	81_K	0.589	0.20
124_T	133_P	0.586	0.19
79_E	92_N	0.585	0.19
111_L	115_R	0.585	0.19
13_T	113_D	0.576	0.19
40_N	74_D	0.574	0.19
33_S	74_D	0.569	0.19
128_G	131_I	0.566	0.19
53_T	64_F	0.556	0.18
73_P	84_K	0.554	0.18
102_N	123_F	0.552	0.18
61_Q	80_S	0.550	0.18
43_Y	73_P	0.548	0.18
12_V	58_K	0.547	0.18
28_P	99_D	0.547	0.18
100_C	124_T	0.546	0.18
64_F	85_L	0.545	0.18
61_Q	95_D	0.544	0.18
49_C	121_G	0.543	0.18
102_N	119_V	0.542	0.18
9_L	99_D	0.541	0.18
49_C	129_I	0.541	0.18
24_F	135_T	0.538	0.18
53_T	80_S	0.536	0.18
78_V	92_N	0.532	0.17
119_V	135_T	0.529	0.17
45_V	102_N	0.528	0.17
90_F	108_L	0.527	0.17
43_Y	121_G	0.526	0.17
43_Y	50_P	0.519	0.17
51_E	81_K	0.518	0.17
95_D	99_D	0.518	0.17
34_F	76_K	0.517	0.17
13_T	21_N	0.516	0.17
35_P	76_K	0.515	0.17
113_D	139_K	0.514	0.17
107_D	110_E	0.512	0.17
90_F	103_I	0.510	0.17
25_E	28_P	0.510	0.17
96_F	131_I	0.510	0.17
90_F	107_D	0.510	0.17
95_D	100_C	0.508	0.17
23_L	29_D	0.506	0.16
50_P	73_P	0.504	0.16
38_H	100_C	0.504	0.16
82_S	141_G	0.503	0.16
11_G	103_I	0.502	0.16
70_S	124_T	0.500	0.16
10_E	40_N	0.500	0.16

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
4f8bA	5	0.8788	100	0.106	Contact Map
3uxjA	2	0.8788	100	0.32	Contact Map
1wurA	6	0.8909	99.8	0.709	Contact Map
1a8rA	7	0.9576	38.4	0.952	Contact Map
4uqfA	5	0.9152	29.3	0.955	Contact Map
1is8A	5	0.903	29.3	0.955	Contact Map
1j23A	2	0.6242	12.5	0.962	Contact Map
2zbkA	2	0.7455	6.7	0.966	Contact Map
2mcqA	1	0.3939	6.6	0.966	Contact Map
1gupA	2	0.6727	6.6	0.966	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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