AZOR - ECOLI - GREMLIN Contacts

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AZOR - FMN-dependent NADH-azoreductase

UniProt:	P41407	Sequences: MSKVLVLKSSILAGYSQSNQLSDYFVEQWREKHSADEITVRDLAANPIPVLDGELVGALRPSDAPLTPRQQEALALSDELIAELKAHDVIVIAAPMYNFNISTQLKNYFDLVARAGVTFRYTENGPEGLVTGKKAIVITSRGGIHKDGPTDLVTPYLSTFLGFIGITDVKFVFAEGIAYGPEMAAKAQSDAKAAIDSIVSA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG12695
Length:	201 (183)
Sequences:	4948 (3531)
Seq/√Len:	261.0

ECOLI - AZOR YCAK MDAB KEFG KEFF
BACSU - AZOR2 AZOR1 YDEQ YRKL GS14

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
3_K	37_E	3.923	1.00
39_T	86_A	3.551	1.00
39_T	83_E	2.972	1.00
41_R	83_E	2.955	1.00
24_Y	192_K	2.886	1.00
50_V	103_T	2.845	1.00
120_R	127_E	2.731	1.00
3_K	39_T	2.670	1.00
85_K	117_V	2.646	1.00
23_D	27_E	2.395	1.00
25_F	138_I	2.364	1.00
82_A	86_A	2.301	1.00
42_D	45_A	2.243	1.00
50_V	107_N	2.203	1.00
135_A	161_L	2.203	1.00
3_K	86_A	2.019	1.00
4_V	36_D	2.016	1.00
181_P	185_A	2.000	1.00
137_V	171_F	1.986	1.00
6_V	26_V	1.948	1.00
9_S	104_Q	1.852	1.00
78_D	82_A	1.842	1.00
81_I	117_V	1.806	1.00
8_K	22_S	1.784	1.00
113_A	164_I	1.772	1.00
135_A	166_I	1.758	1.00
89_V	136_I	1.718	1.00
109_F	160_F	1.699	1.00
18_S	140_S	1.683	1.00
22_S	93_A	1.616	1.00
101_I	156_Y	1.598	1.00
24_Y	28_Q	1.597	1.00
8_K	40_V	1.542	1.00
189_S	192_K	1.539	1.00
11_I	97_Y	1.516	1.00
90_I	135_A	1.492	1.00
76_L	79_E	1.482	1.00
82_A	85_K	1.473	1.00
24_Y	27_E	1.452	1.00
185_A	189_S	1.442	1.00
25_F	29_W	1.441	1.00
109_F	113_A	1.440	1.00
26_V	30_R	1.436	1.00
8_K	19_N	1.410	1.00
49_P	52_D	1.404	1.00
84_L	112_V	1.387	1.00
89_V	134_K	1.340	1.00
82_A	117_V	1.332	1.00
27_E	30_R	1.309	1.00
27_E	31_E	1.305	1.00
29_W	36_D	1.301	1.00
134_K	170_K	1.293	1.00
81_I	118_T	1.292	1.00
44_A	104_Q	1.292	1.00
113_A	160_F	1.291	1.00
151_D	155_P	1.290	1.00
61_P	70_Q	1.275	1.00
28_Q	31_E	1.267	1.00
4_V	89_V	1.236	1.00
12_L	15_Y	1.233	1.00
4_V	29_W	1.220	1.00
90_I	166_I	1.210	1.00
184_A	188_Q	1.202	1.00
21_L	195_I	1.199	1.00
130_V	166_I	1.190	1.00
189_S	193_A	1.189	1.00
6_V	23_D	1.177	1.00
18_S	93_A	1.176	1.00
99_F	163_F	1.169	1.00
6_V	22_S	1.141	1.00
21_L	140_S	1.129	1.00
180_G	183_M	1.121	1.00
17_Q	177_I	1.119	1.00
9_S	105_L	1.114	1.00
22_S	40_V	1.109	1.00
46_N	79_E	1.106	1.00
87_H	90_I	1.104	1.00
46_N	80_L	1.091	1.00
52_D	55_L	1.080	1.00
36_D	89_V	1.073	1.00
120_R	129_L	1.070	1.00
84_L	90_I	1.066	1.00
112_V	164_I	1.066	1.00
56_V	60_R	1.064	1.00
106_K	110_D	1.052	1.00
75_A	79_E	1.040	1.00
6_V	40_V	1.036	1.00
190_D	194_A	1.028	1.00
78_D	117_V	1.027	1.00
152_L	155_P	1.027	1.00
5_L	83_E	1.025	1.00
17_Q	184_A	1.022	1.00
50_V	111_L	1.021	1.00
122_T	125_G	1.016	1.00
85_K	130_V	1.012	1.00
122_T	127_E	1.010	1.00
11_I	104_Q	1.010	1.00
29_W	89_V	1.007	1.00
134_K	168_D	0.999	1.00
154_T	158_S	0.997	1.00
183_M	186_K	0.987	1.00
144_I	175_E	0.983	1.00
83_E	108_Y	0.980	1.00
77_S	114_R	0.978	1.00
107_N	111_L	0.977	1.00
7_L	92_I	0.958	1.00
25_F	136_I	0.955	1.00
94_A	105_L	0.946	1.00
4_V	91_V	0.943	1.00
141_R	173_F	0.939	1.00
28_Q	192_K	0.933	1.00
20_Q	192_K	0.932	1.00
103_T	107_N	0.932	1.00
98_N	110_D	0.927	1.00
41_R	80_L	0.924	1.00
23_D	40_V	0.912	1.00
48_I	111_L	0.900	1.00
48_I	107_N	0.899	1.00
80_L	108_Y	0.899	1.00
94_A	137_V	0.886	1.00
141_R	175_E	0.884	1.00
144_I	176_G	0.882	1.00
186_K	190_D	0.882	1.00
81_I	114_R	0.881	1.00
92_I	105_L	0.875	1.00
41_R	108_Y	0.873	1.00
78_D	114_R	0.862	1.00
37_E	86_A	0.860	1.00
20_Q	184_A	0.852	1.00
182_E	186_K	0.852	1.00
26_V	40_V	0.849	0.99
101_I	105_L	0.847	0.99
145_H	150_T	0.846	0.99
139_T	173_F	0.836	0.99
158_S	162_G	0.835	0.99
17_Q	188_Q	0.833	0.99
109_F	156_Y	0.832	0.99
84_L	108_Y	0.825	0.99
7_L	41_R	0.818	0.99
127_E	131_T	0.812	0.99
30_R	37_E	0.811	0.99
145_H	148_G	0.807	0.99
5_L	87_H	0.806	0.99
121_Y	126_P	0.802	0.99
13_A	53_G	0.800	0.99
151_D	154_T	0.800	0.99
7_L	43_L	0.797	0.99
146_K	150_T	0.796	0.99
13_A	45_A	0.794	0.99
88_D	133_K	0.794	0.99
138_I	191_A	0.792	0.99
27_E	192_K	0.790	0.99
17_Q	174_A	0.786	0.99
21_L	138_I	0.783	0.99
141_R	153_V	0.780	0.99
92_I	161_L	0.774	0.99
181_P	184_A	0.769	0.99
39_T	87_H	0.755	0.99
109_F	157_L	0.750	0.99
77_S	81_I	0.747	0.99
97_Y	102_S	0.742	0.99
98_N	119_F	0.741	0.99
120_R	123_E	0.739	0.99
8_K	23_D	0.735	0.99
50_V	104_Q	0.725	0.98
84_L	130_V	0.724	0.98
132_G	168_D	0.724	0.98
77_S	111_L	0.722	0.98
94_A	153_V	0.720	0.98
152_L	159_T	0.719	0.98
137_V	161_L	0.718	0.98
58_A	74_L	0.716	0.98
96_M	141_R	0.714	0.98
76_L	111_L	0.713	0.98
55_L	74_L	0.709	0.98
25_F	91_V	0.709	0.98
55_L	111_L	0.705	0.98
136_I	172_V	0.703	0.98
52_D	56_V	0.698	0.98
46_N	83_E	0.697	0.98
19_N	22_S	0.695	0.98
76_L	80_L	0.690	0.98
95_P	102_S	0.684	0.98
55_L	59_L	0.683	0.98
51_L	55_L	0.682	0.98
144_I	147_D	0.676	0.97
96_M	153_V	0.672	0.97
21_L	174_A	0.671	0.97
17_Q	20_Q	0.668	0.97
97_Y	104_Q	0.661	0.97
31_E	34_S	0.658	0.97
187_A	190_D	0.651	0.97
56_V	59_L	0.649	0.97
12_L	57_G	0.643	0.97
79_E	82_A	0.638	0.96
182_E	185_A	0.638	0.96
140_S	177_I	0.629	0.96
103_T	111_L	0.628	0.96
92_I	157_L	0.628	0.96
79_E	83_E	0.624	0.96
6_V	93_A	0.619	0.96
9_S	44_A	0.618	0.96
99_F	159_T	0.616	0.96
170_K	194_A	0.615	0.96
28_Q	34_S	0.614	0.96
122_T	126_P	0.611	0.95
46_N	76_L	0.610	0.95
192_K	195_I	0.610	0.95
161_L	169_V	0.610	0.95
21_L	191_A	0.609	0.95
132_G	167_T	0.607	0.95
188_Q	191_A	0.605	0.95
3_K	87_H	0.604	0.95
43_L	104_Q	0.599	0.95
139_T	153_V	0.596	0.95
100_N	106_K	0.595	0.95
186_K	189_S	0.595	0.95
138_I	172_V	0.594	0.95
141_R	148_G	0.593	0.95
25_F	89_V	0.592	0.95
58_A	61_P	0.590	0.95
171_F	174_A	0.586	0.94
20_Q	188_Q	0.584	0.94
179_Y	183_M	0.578	0.94
145_H	175_E	0.578	0.94
100_N	156_Y	0.574	0.94
3_K	88_D	0.574	0.94
124_N	127_E	0.572	0.94
134_K	166_I	0.571	0.94
155_P	159_T	0.570	0.93
80_L	83_E	0.568	0.93
81_I	85_K	0.568	0.93
8_K	93_A	0.567	0.93
99_F	143_G	0.566	0.93
162_G	169_V	0.566	0.93
8_K	42_D	0.558	0.93
96_M	145_H	0.557	0.93
96_M	139_T	0.556	0.93
190_D	193_A	0.556	0.93
10_S	18_S	0.554	0.92
30_R	34_S	0.547	0.92
52_D	73_A	0.546	0.92
84_L	164_I	0.545	0.92
72_E	75_A	0.540	0.92
71_Q	75_A	0.536	0.91
83_E	86_A	0.535	0.91
24_Y	188_Q	0.535	0.91
49_P	76_L	0.535	0.91
185_A	188_Q	0.533	0.91
75_A	78_D	0.529	0.91
73_A	76_L	0.528	0.91
5_L	41_R	0.527	0.91
152_L	156_Y	0.527	0.91
41_R	46_N	0.525	0.90
156_Y	160_F	0.525	0.90
179_Y	187_A	0.525	0.90
185_A	192_K	0.524	0.90
22_S	26_V	0.524	0.90
99_F	113_A	0.522	0.90
55_L	77_S	0.521	0.90
43_L	80_L	0.520	0.90
93_A	138_I	0.519	0.90
158_S	171_F	0.517	0.90
20_Q	24_Y	0.516	0.90
48_I	76_L	0.516	0.90
154_T	171_F	0.515	0.90
94_A	102_S	0.512	0.89
160_F	164_I	0.512	0.89
172_V	175_E	0.511	0.89
77_S	80_L	0.508	0.89
137_V	169_V	0.506	0.89
154_T	157_L	0.506	0.89
81_I	112_V	0.501	0.88
179_Y	184_A	0.500	0.88

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
3w77A	2	0.995	100	0.346	Contact Map
3w7aA	2	0.995	100	0.347	Contact Map
1d4aA	2	0.9851	100	0.349	Contact Map
2hpvA	2	0.9851	100	0.357	Contact Map
4n65A	2	0.9751	100	0.358	Contact Map
1t5bA	2	0.99	100	0.362	Contact Map
4c0xA	2	0.9851	100	0.362	Contact Map
4gi5A	2	0.9851	100	0.371	Contact Map
3u7iA	2	0.99	100	0.371	Contact Map
4fglA	2	0.9851	100	0.397	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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