YWQN - BACSU - GREMLIN Contacts

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YWQN - Putative NAD(P)H-dependent FMN-containing oxidoreductase YwqN

UniProt:	P96726	Sequences: MKIAVINGGTRSGGNTDVLAEKAVQGFDAEHIYLQKYPIQPIEDLRHAQGGFRPVQDDYDSIIERILQCHILIFATPIYWFGMSGTLKLFIDRWSQTLRDPRFPDFKQQMSVKQAYVIAVGGDNPKIKGLPLIQQFEHIFHFMGMSFKGYVLGEGNRPGDILRDHQALSAASRLLKRSDAI	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	181 (167)
Sequences:	3105 (2527)
Seq/√Len:	195.5

ECOLI - NQOR
BACSU - YWQN
SULSO - Q97U66

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
30_E	65_R	5.147	1.00
22_K	25_Q	3.516	1.00
85_G	89_L	2.952	1.00
2_K	28_D	2.948	1.00
88_K	92_D	2.844	1.00
5_V	24_V	2.799	1.00
76_T	84_S	2.543	1.00
74_F	87_L	2.349	1.00
21_E	31_H	2.312	1.00
26_G	175_L	2.150	1.00
22_K	172_S	2.034	1.00
41_P	89_L	1.972	1.00
16_T	75_A	1.937	1.00
4_A	69_C	1.895	1.00
82_G	135_Q	1.877	1.00
64_E	68_Q	1.836	1.00
5_V	20_A	1.758	1.00
13_G	17_D	1.728	1.00
2_K	68_Q	1.716	1.00
37_Y	61_S	1.703	1.00
169_S	173_R	1.699	1.00
8_G	87_L	1.679	1.00
45_L	53_R	1.673	1.00
3_I	71_I	1.661	1.00
23_A	118_I	1.642	1.00
23_A	73_I	1.627	1.00
59_Y	63_I	1.623	1.00
12_S	36_K	1.621	1.00
83_M	135_Q	1.601	1.00
115_A	140_F	1.593	1.00
24_V	29_A	1.572	1.00
48_A	53_R	1.550	1.00
22_K	168_L	1.540	1.00
114_Q	146_S	1.536	1.00
34_L	90_F	1.534	1.00
134_Q	138_H	1.481	1.00
32_I	65_R	1.454	1.00
47_H	50_G	1.432	1.00
42_I	53_R	1.429	1.00
76_T	83_M	1.414	1.00
37_Y	58_D	1.413	1.00
24_V	31_H	1.397	1.00
33_Y	36_K	1.392	1.00
26_G	172_S	1.373	1.00
173_R	176_K	1.370	1.00
116_Y	174_L	1.362	1.00
45_L	48_A	1.346	1.00
25_Q	172_S	1.343	1.00
43_E	55_V	1.325	1.00
17_D	21_E	1.310	1.00
32_I	62_I	1.299	1.00
20_A	75_A	1.275	1.00
57_D	93_R	1.262	1.00
66_I	72_L	1.248	1.00
18_V	162_L	1.241	1.00
85_G	92_D	1.240	1.00
17_D	31_H	1.232	1.00
169_S	172_S	1.216	1.00
19_L	171_A	1.215	1.00
60_D	63_I	1.205	1.00
42_I	45_L	1.199	1.00
76_T	119_A	1.195	1.00
7_N	20_A	1.179	1.00
83_M	88_K	1.150	1.00
15_N	159_G	1.139	1.00
41_P	86_T	1.131	1.00
42_I	48_A	1.117	1.00
3_I	27_F	1.117	1.00
38_P	58_D	1.115	1.00
164_D	167_A	1.104	1.00
16_T	20_A	1.096	1.00
26_G	176_K	1.091	1.00
6_I	62_I	1.081	1.00
23_A	175_L	1.075	1.00
56_Q	60_D	1.071	1.00
151_V	173_R	1.064	1.00
40_Q	43_E	1.053	1.00
5_V	29_A	1.051	1.00
40_Q	55_V	1.050	1.00
47_H	54_P	1.044	1.00
71_I	114_Q	1.041	1.00
14_G	17_D	1.030	1.00
86_T	89_L	1.028	1.00
137_E	150_Y	1.024	1.00
170_A	173_R	1.021	1.00
23_A	27_F	1.021	1.00
78_I	132_L	1.019	1.00
64_E	67_L	1.012	1.00
80_W	95_S	1.008	1.00
62_I	90_F	1.008	1.00
117_V	136_F	1.003	1.00
71_I	116_Y	1.001	1.00
17_D	33_Y	0.999	1.00
160_D	163_R	0.998	1.00
114_Q	148_K	0.988	1.00
7_N	31_H	0.982	0.99
66_I	90_F	0.977	0.99
63_I	97_T	0.975	0.99
173_R	177_R	0.968	0.99
165_H	169_S	0.963	0.99
20_A	24_V	0.961	0.99
83_M	87_L	0.950	0.99
44_D	79_Y	0.935	0.99
157_R	160_D	0.935	0.99
37_Y	62_I	0.934	0.99
166_Q	170_A	0.933	0.99
75_A	118_I	0.932	0.99
46_R	95_S	0.930	0.99
61_S	65_R	0.921	0.99
21_E	25_Q	0.920	0.99
61_S	64_E	0.912	0.99
130_L	134_Q	0.910	0.99
83_M	132_L	0.909	0.99
156_N	160_D	0.902	0.99
7_N	33_Y	0.891	0.99
167_A	170_A	0.882	0.99
32_I	37_Y	0.870	0.99
82_G	88_K	0.866	0.99
6_I	90_F	0.860	0.99
8_G	84_S	0.858	0.99
11_R	15_N	0.857	0.99
4_A	65_R	0.849	0.98
4_A	32_I	0.844	0.98
39_I	89_L	0.844	0.98
72_L	115_A	0.834	0.98
58_D	61_S	0.834	0.98
171_A	175_L	0.829	0.98
74_F	136_F	0.828	0.98
18_V	22_K	0.827	0.98
110_M	113_K	0.826	0.98
88_K	135_Q	0.824	0.98
69_C	72_L	0.814	0.98
27_F	175_L	0.812	0.98
22_K	26_G	0.811	0.98
10_T	86_T	0.811	0.98
21_E	24_V	0.807	0.98
6_I	34_L	0.802	0.98
87_L	90_F	0.796	0.98
41_P	85_G	0.791	0.98
117_V	137_E	0.790	0.98
86_T	92_D	0.788	0.98
131_P	134_Q	0.785	0.97
132_L	136_F	0.773	0.97
66_I	94_W	0.768	0.97
67_L	97_T	0.760	0.97
18_V	21_E	0.757	0.97
39_I	90_F	0.748	0.97
23_A	75_A	0.746	0.97
133_I	137_E	0.745	0.97
94_W	139_I	0.738	0.96
15_N	161_I	0.734	0.96
19_L	153_G	0.731	0.96
121_G	126_K	0.722	0.96
172_S	176_K	0.719	0.96
82_G	131_P	0.717	0.96
59_Y	94_W	0.715	0.96
23_A	116_Y	0.711	0.96
131_P	135_Q	0.709	0.95
155_G	160_D	0.695	0.95
91_I	139_I	0.695	0.95
146_S	149_G	0.695	0.95
43_E	47_H	0.693	0.95
39_I	59_Y	0.691	0.95
168_L	172_S	0.689	0.95
83_M	91_I	0.686	0.95
147_F	150_Y	0.683	0.94
140_F	145_M	0.682	0.94
4_A	66_I	0.681	0.94
13_G	21_E	0.677	0.94
149_G	174_L	0.675	0.94
91_I	95_S	0.675	0.94
12_S	33_Y	0.674	0.94
172_S	175_L	0.674	0.94
162_L	168_L	0.665	0.94
19_L	118_I	0.664	0.94
34_L	86_T	0.663	0.94
7_N	17_D	0.661	0.93
35_Q	43_E	0.660	0.93
65_R	68_Q	0.657	0.93
60_D	64_E	0.656	0.93
46_R	96_Q	0.654	0.93
76_T	87_L	0.646	0.93
59_Y	96_Q	0.643	0.92
81_F	142_F	0.642	0.92
136_F	147_F	0.638	0.92
63_I	67_L	0.638	0.92
5_V	73_I	0.636	0.92
146_S	151_V	0.634	0.92
23_A	71_I	0.625	0.91
41_P	72_L	0.621	0.91
116_Y	148_K	0.619	0.91
151_V	174_L	0.607	0.90
81_F	138_H	0.604	0.90
58_D	93_R	0.603	0.90
133_I	150_Y	0.603	0.90
108_Q	111_S	0.599	0.90
115_A	145_M	0.598	0.90
139_I	143_M	0.595	0.89
73_I	116_Y	0.594	0.89
82_G	132_L	0.587	0.89
85_G	94_W	0.584	0.88
63_I	94_W	0.583	0.88
23_A	26_G	0.582	0.88
16_T	76_T	0.580	0.88
30_E	69_C	0.578	0.88
155_G	161_I	0.578	0.88
80_W	143_M	0.576	0.88
133_I	141_H	0.573	0.87
138_H	141_H	0.572	0.87
80_W	94_W	0.572	0.87
7_N	75_A	0.570	0.87
137_E	141_H	0.570	0.87
16_T	120_V	0.569	0.87
159_G	163_R	0.566	0.87
66_I	110_M	0.566	0.87
87_L	136_F	0.566	0.87
74_F	115_A	0.564	0.87
141_H	147_F	0.562	0.86
19_L	120_V	0.561	0.86
39_I	58_D	0.558	0.86
135_Q	139_I	0.553	0.86
45_L	54_P	0.550	0.85
116_Y	149_G	0.549	0.85
63_I	80_W	0.546	0.85
43_E	54_P	0.541	0.84
18_V	159_G	0.540	0.84
55_V	58_D	0.537	0.84
165_H	168_L	0.533	0.83
35_Q	86_T	0.532	0.83
119_A	152_L	0.529	0.83
153_G	167_A	0.529	0.83
134_Q	137_E	0.527	0.83
8_G	76_T	0.527	0.83
21_E	68_Q	0.523	0.82
50_G	54_P	0.522	0.82
7_N	16_T	0.518	0.82
77_P	84_S	0.518	0.82
151_V	171_A	0.514	0.81
27_F	172_S	0.513	0.81
94_W	143_M	0.512	0.81
158_P	162_L	0.508	0.80
78_I	121_G	0.508	0.80
17_D	35_Q	0.508	0.80
5_V	31_H	0.507	0.80
80_W	98_L	0.506	0.80
115_A	139_I	0.504	0.80
5_V	27_F	0.501	0.80
158_P	161_I	0.501	0.80
14_G	33_Y	0.500	0.79
81_F	123_D	0.500	0.79

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
1rliA	3	0.9448	100	0.312	Contact Map
3lcmA	2	1	100	0.398	Contact Map
1sqsA	2	0.9116	100	0.406	Contact Map
4r81A	4	0.989	100	0.408	Contact Map
3k1yA	4	0.895	100	0.417	Contact Map
4c0xA	2	0.9834	100	0.418	Contact Map
3u7iA	2	0.9834	100	0.419	Contact Map
2hpvA	2	0.9834	100	0.421	Contact Map
3w7aA	2	0.989	100	0.423	Contact Map
1t5bA	2	0.9945	100	0.424	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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