AZOR2 - BACSU - GREMLIN Contacts

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AZOR2 - FMN-dependent NADH-azoreductase 2

UniProt:	O32224	Sequences: MAKVLYITAHPHDEATSYSMATGKAFIESYKEANPNDEVVHIDLYKENIPHIDADVFSGWGKLQSGTGFEELSESEKAKVGRLGELSDQFASADKYVFVTPLWNFSFPPVMKAYLDSVAVAGKSFKYTEQGPVGLLTDKKAIHIQARGGYYSEGPAAEMEMGHRYIGIMMNFFGVPSFDGIFVEGHNAEPDKAQQIKEDAIARAKEAGKTF	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	211 (187)
Sequences:	4933 (3515)
Seq/√Len:	257.1

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	38_E	3.863	1.00
40_V	92_S	3.424	1.00
25_A	201_I	2.955	1.00
40_V	89_Q	2.926	1.00
42_I	89_Q	2.868	1.00
51_H	109_P	2.766	1.00
126_K	133_V	2.763	1.00
3_K	40_V	2.712	1.00
91_A	123_K	2.590	1.00
26_F	144_I	2.418	1.00
24_K	28_E	2.372	1.00
88_D	92_S	2.263	1.00
43_D	46_K	2.145	1.00
141_A	170_M	2.136	1.00
51_H	113_A	2.117	1.00
4_V	37_D	2.035	1.00
3_K	92_S	1.990	1.00
6_Y	27_I	1.980	1.00
143_H	180_G	1.920	1.00
190_P	194_Q	1.828	1.00
9_A	110_V	1.821	1.00
84_G	88_D	1.806	1.00
141_A	175_V	1.797	1.00
95_K	142_I	1.766	1.00
87_S	123_K	1.764	1.00
119_A	173_F	1.752	1.00
115_L	169_M	1.743	1.00
8_T	23_G	1.711	1.00
19_S	146_A	1.682	1.00
29_S	205_K	1.604	1.00
8_T	41_H	1.577	1.00
107_F	165_Y	1.575	1.00
23_G	99_V	1.562	1.00
198_E	201_I	1.547	1.00
115_L	119_A	1.526	1.00
50_P	53_D	1.516	1.00
11_P	103_W	1.511	1.00
27_I	31_K	1.502	1.00
25_A	29_S	1.502	1.00
26_F	30_Y	1.497	1.00
96_Y	141_A	1.487	1.00
194_Q	198_E	1.459	1.00
88_D	91_A	1.457	1.00
8_T	20_M	1.417	1.00
82_R	85_E	1.417	1.00
25_A	28_E	1.406	1.00
95_K	140_K	1.373	1.00
140_K	179_D	1.353	1.00
30_Y	37_D	1.351	1.00
88_D	123_K	1.321	1.00
45_Y	110_V	1.321	1.00
90_F	118_V	1.320	1.00
193_A	197_K	1.316	1.00
87_S	124_S	1.312	1.00
4_V	30_Y	1.301	1.00
96_Y	175_V	1.269	1.00
28_E	32_E	1.262	1.00
28_E	31_K	1.245	1.00
29_S	32_E	1.243	1.00
6_Y	24_K	1.232	1.00
160_E	164_R	1.231	1.00
128_T	131_G	1.224	1.00
119_A	169_M	1.221	1.00
90_F	96_Y	1.191	1.00
25_A	205_K	1.181	1.00
4_V	95_K	1.180	1.00
29_S	33_A	1.179	1.00
18_Y	186_H	1.165	1.00
19_S	99_V	1.160	1.00
198_E	202_A	1.144	1.00
126_K	135_L	1.142	1.00
105_F	172_F	1.142	1.00
6_Y	23_G	1.136	1.00
47_E	86_L	1.131	1.00
112_K	116_D	1.127	1.00
199_D	203_R	1.126	1.00
22_T	204_A	1.124	1.00
53_D	56_V	1.122	1.00
23_G	41_H	1.119	1.00
202_A	205_K	1.117	1.00
9_A	111_M	1.111	1.00
84_G	123_K	1.098	1.00
189_E	192_K	1.093	1.00
140_K	177_S	1.090	1.00
91_A	136_L	1.087	1.00
136_L	175_V	1.083	1.00
22_T	146_A	1.083	1.00
11_P	110_V	1.080	1.00
118_V	173_F	1.071	1.00
81_G	85_E	1.064	1.00
57_F	61_G	1.059	1.00
47_E	85_E	1.054	1.00
163_H	167_G	1.043	1.00
93_A	96_Y	1.031	1.00
30_Y	95_K	1.023	1.00
128_T	133_V	1.022	1.00
18_Y	193_A	1.012	1.00
37_D	95_K	1.012	1.00
6_Y	41_H	1.012	1.00
5_L	89_Q	1.012	1.00
7_I	98_F	0.996	1.00
192_K	195_Q	0.994	1.00
26_F	142_I	0.992	1.00
83_L	120_V	0.986	1.00
100_T	111_M	0.984	1.00
13_D	46_K	0.967	1.00
89_Q	114_Y	0.959	1.00
147_R	182_F	0.959	1.00
21_A	201_I	0.944	1.00
113_A	117_S	0.940	1.00
115_L	165_Y	0.935	1.00
42_I	86_L	0.933	1.00
49_I	117_S	0.932	1.00
51_H	117_S	0.930	1.00
150_Y	185_G	0.924	1.00
98_F	111_M	0.918	1.00
86_L	114_Y	0.912	1.00
21_A	193_A	0.907	1.00
191_D	195_Q	0.906	1.00
104_N	116_D	0.905	1.00
4_V	97_V	0.896	1.00
109_P	113_A	0.896	1.00
201_I	205_K	0.891	1.00
24_K	41_H	0.889	1.00
42_I	114_Y	0.888	1.00
147_R	184_E	0.884	1.00
18_Y	197_K	0.875	1.00
145_Q	182_F	0.873	1.00
100_T	143_H	0.871	1.00
31_K	38_E	0.869	1.00
94_D	139_K	0.867	1.00
49_I	113_A	0.863	1.00
22_T	144_I	0.862	1.00
27_I	41_H	0.857	0.99
127_Y	132_P	0.851	0.99
147_R	162_G	0.849	0.99
167_G	171_N	0.848	0.99
5_L	93_A	0.846	0.99
195_Q	199_D	0.844	0.99
133_V	137_T	0.835	0.99
29_S	201_I	0.831	0.99
150_Y	184_E	0.825	0.99
161_M	164_R	0.820	0.99
107_F	111_M	0.815	0.99
87_S	120_V	0.808	0.99
33_A	37_D	0.806	0.99
142_I	181_I	0.800	0.99
84_G	120_V	0.790	0.99
157_A	160_E	0.783	0.99
201_I	204_A	0.782	0.99
90_F	114_Y	0.776	0.99
138_D	177_S	0.774	0.99
40_V	93_A	0.770	0.99
151_Y	159_M	0.768	0.99
56_V	117_S	0.766	0.99
102_L	162_G	0.763	0.99
38_E	92_S	0.762	0.99
13_D	54_A	0.753	0.99
155_P	160_E	0.752	0.99
7_I	44_L	0.750	0.99
190_P	193_A	0.749	0.99
28_E	201_I	0.747	0.99
98_F	170_M	0.744	0.99
161_M	168_I	0.742	0.99
18_Y	183_V	0.742	0.99
8_T	24_K	0.741	0.99
82_R	117_S	0.741	0.99
150_Y	153_E	0.739	0.99
26_F	97_V	0.735	0.98
7_I	42_I	0.730	0.98
21_A	197_K	0.729	0.98
56_V	60_W	0.725	0.98
59_G	80_V	0.723	0.98
151_Y	154_G	0.721	0.98
90_F	136_L	0.719	0.98
22_T	183_V	0.719	0.98
103_W	108_P	0.719	0.98
83_L	87_S	0.718	0.98
160_E	163_H	0.714	0.98
102_L	147_R	0.712	0.98
146_A	186_H	0.710	0.98
51_H	110_V	0.709	0.98
198_E	205_K	0.706	0.98
12_H	58_S	0.699	0.98
144_I	200_A	0.699	0.98
83_L	117_S	0.697	0.98
20_M	23_G	0.695	0.98
18_Y	21_A	0.692	0.98
195_Q	198_E	0.687	0.98
78_A	81_G	0.685	0.98
101_P	108_P	0.684	0.98
144_I	181_I	0.682	0.97
197_K	200_A	0.679	0.97
115_L	166_I	0.679	0.97
52_I	56_V	0.675	0.97
100_T	162_G	0.674	0.97
155_P	159_M	0.673	0.97
147_R	154_G	0.671	0.97
59_G	62_K	0.670	0.97
82_R	86_L	0.663	0.97
9_A	45_Y	0.660	0.97
44_L	110_V	0.657	0.97
85_E	88_D	0.645	0.96
140_K	175_V	0.643	0.96
192_K	196_I	0.642	0.96
164_R	168_I	0.636	0.96
3_K	94_D	0.636	0.96
105_F	168_I	0.635	0.96
56_V	80_V	0.633	0.96
77_K	81_G	0.633	0.96
126_K	129_E	0.631	0.96
3_K	93_A	0.629	0.96
85_E	89_Q	0.629	0.96
87_S	91_A	0.625	0.96
191_D	194_Q	0.623	0.96
151_Y	184_E	0.619	0.96
25_A	197_K	0.618	0.96
6_Y	99_V	0.613	0.95
49_I	82_R	0.613	0.95
47_E	89_Q	0.612	0.95
103_W	110_V	0.610	0.95
188_A	192_K	0.609	0.95
167_G	180_G	0.606	0.95
196_I	199_D	0.600	0.95
61_G	64_Q	0.596	0.95
104_N	125_F	0.596	0.95
130_Q	133_V	0.594	0.94
109_P	117_S	0.594	0.94
8_T	43_D	0.592	0.94
26_F	95_K	0.591	0.94
8_T	99_V	0.590	0.94
156_A	161_M	0.588	0.94
155_P	158_E	0.585	0.94
193_A	196_I	0.585	0.94
23_G	27_I	0.585	0.94
57_F	60_W	0.579	0.94
170_M	178_F	0.577	0.94
106_S	112_K	0.575	0.93
98_F	166_I	0.574	0.93
199_D	202_A	0.573	0.93
107_F	169_M	0.572	0.93
145_Q	162_G	0.572	0.93
21_A	25_A	0.570	0.93
126_K	130_Q	0.562	0.93
86_L	89_Q	0.560	0.93
47_E	82_R	0.558	0.92
132_P	172_F	0.556	0.92
163_H	180_G	0.555	0.92
153_E	157_A	0.555	0.92
22_T	200_A	0.552	0.92
194_Q	197_K	0.552	0.92
158_E	164_R	0.544	0.92
159_M	168_I	0.541	0.91
143_H	170_M	0.540	0.91
179_D	203_R	0.539	0.91
53_D	57_F	0.538	0.91
108_P	113_A	0.537	0.91
87_S	118_V	0.535	0.91
44_L	86_L	0.535	0.91
53_D	79_K	0.532	0.91
31_K	41_H	0.529	0.90
138_D	176_P	0.524	0.90
12_H	54_A	0.524	0.90
58_S	62_K	0.522	0.90
81_G	84_G	0.521	0.90
129_E	133_V	0.519	0.90
102_L	151_Y	0.519	0.90
169_M	173_F	0.516	0.89
100_T	108_P	0.515	0.89
58_S	61_G	0.512	0.89
27_I	39_V	0.511	0.89
154_G	157_A	0.510	0.89
106_S	165_Y	0.509	0.89
171_N	178_F	0.507	0.88
42_I	47_E	0.505	0.88
165_Y	169_M	0.504	0.88
143_H	178_F	0.503	0.88
150_Y	154_G	0.503	0.88
102_L	145_Q	0.502	0.88
12_H	17_S	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	0.981	100	0.348	Contact Map
3w7aA	2	0.9953	100	0.353	Contact Map
2hpvA	2	0.9621	100	0.368	Contact Map
1d4aA	2	0.981	100	0.371	Contact Map
3u7iA	2	0.9668	100	0.379	Contact Map
4n65A	2	0.9479	100	0.389	Contact Map
4gi5A	2	0.981	100	0.393	Contact Map
4c0xA	2	0.9384	100	0.393	Contact Map
1t5bA	2	0.9384	100	0.394	Contact Map
4fglA	2	0.981	100	0.417	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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