AZR - BACSU - GREMLIN Contacts

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AZR - FMN-dependent NADPH-azoreductase

UniProt:	O07529	Sequences: MNMLVINGTPRKHGRTRIAASYIAALYHTDLIDLSEFVLPVFNGEAEQSELLKVQELKQRVTKADAIVLLSPEYHSGMSGALKNALDFLSSEQFKYKPVALLAVAGGGKGGINALNNMRTVMRGVYANVIPKQLVLDPVHIDVENATVAENIKESIKELVEELSMFAKAGNPGV	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	174 (166)
Sequences:	6644 (4445)
Seq/√Len:	345.0

ECOLI - CHRR SSUE
BACSU - AZR
HALSA - Q9HPI9

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_D	60_R	3.603	1.00
4_L	64_A	3.113	1.00
77_G	117_N	2.863	1.00
78_M	121_V	2.817	1.00
52_L	56_E	2.722	1.00
103_A	111_G	2.674	1.00
142_D	146_A	2.551	1.00
59_Q	63_K	2.512	1.00
2_N	28_H	2.508	1.00
99_V	127_A	2.440	1.00
26_L	157_K	2.388	1.00
17_R	21_S	2.259	1.00
122_M	127_A	2.250	1.00
5_V	20_A	2.160	1.00
83_K	87_D	2.044	1.00
101_L	115_L	2.038	1.00
100_A	159_L	2.027	1.00
55_Q	59_Q	1.968	1.00
57_L	85_A	1.956	1.00
7_N	17_R	1.946	1.00
117_N	120_T	1.936	1.00
56_E	60_R	1.795	1.00
77_G	121_V	1.784	1.00
150_E	154_E	1.777	1.00
153_K	157_K	1.772	1.00
73_E	113_N	1.769	1.00
17_R	33_D	1.736	1.00
16_T	104_V	1.675	1.00
3_M	66_A	1.592	1.00
20_A	70_L	1.589	1.00
2_N	63_K	1.577	1.00
25_A	146_A	1.568	1.00
95_K	126_Y	1.560	1.00
21_S	24_A	1.520	1.00
69_L	99_V	1.509	1.00
66_A	163_L	1.470	1.00
152_I	155_S	1.444	1.00
7_N	20_A	1.442	1.00
5_V	24_A	1.378	1.00
61_V	89_L	1.372	1.00
132_K	162_E	1.357	1.00
74_Y	80_G	1.355	1.00
2_N	30_D	1.348	1.00
103_A	115_L	1.340	1.00
69_L	122_M	1.313	1.00
99_V	122_M	1.302	1.00
53_K	56_E	1.300	1.00
71_S	103_A	1.299	1.00
130_I	166_F	1.283	1.00
86_L	125_V	1.277	1.00
76_S	113_N	1.267	1.00
100_A	163_L	1.266	1.00
59_Q	62_T	1.252	1.00
41_V	84_N	1.238	1.00
128_N	166_F	1.234	1.00
67_I	94_F	1.225	1.00
71_S	118_M	1.222	1.00
57_L	89_L	1.221	1.00
80_G	87_D	1.219	1.00
23_I	102_L	1.216	1.00
61_V	67_I	1.194	1.00
23_I	68_V	1.183	1.00
38_V	53_K	1.167	1.00
78_M	117_N	1.164	1.00
41_V	81_A	1.164	1.00
52_L	55_Q	1.161	1.00
150_E	153_K	1.156	1.00
71_S	114_A	1.128	1.00
13_H	18_I	1.116	1.00
3_M	27_Y	1.097	1.00
16_T	70_L	1.096	1.00
24_A	31_L	1.073	1.00
6_I	69_L	1.070	1.00
134_L	159_L	1.041	1.00
66_A	167_A	1.041	1.00
26_L	160_V	1.038	1.00
123_R	129_V	1.036	1.00
30_D	64_A	1.025	1.00
58_K	89_L	1.018	1.00
4_L	32_I	1.014	1.00
105_A	135_V	1.012	1.00
54_V	88_F	1.009	1.00
69_L	82_L	1.003	1.00
61_V	85_A	1.002	1.00
26_L	153_K	1.000	1.00
154_E	157_K	1.000	1.00
7_N	16_T	0.999	1.00
109_K	112_I	0.992	1.00
154_E	158_E	0.992	1.00
157_K	161_E	0.991	1.00
142_D	148_V	0.989	1.00
140_H	149_A	0.986	1.00
22_Y	25_A	0.986	1.00
80_G	83_K	0.984	1.00
41_V	80_G	0.978	1.00
23_I	156_I	0.973	1.00
130_I	163_L	0.963	1.00
56_E	59_Q	0.961	1.00
27_Y	164_S	0.948	1.00
136_L	152_I	0.943	1.00
39_L	85_A	0.918	1.00
19_A	104_V	0.915	1.00
159_L	163_L	0.898	1.00
151_N	154_E	0.896	1.00
78_M	83_K	0.890	1.00
68_V	100_A	0.890	1.00
163_L	167_A	0.888	1.00
101_L	122_M	0.881	1.00
76_S	124_G	0.878	1.00
83_K	121_V	0.876	1.00
161_E	165_M	0.863	1.00
69_L	86_L	0.859	1.00
119_R	123_R	0.859	1.00
71_S	79_S	0.850	1.00
5_V	29_T	0.848	1.00
151_N	155_S	0.847	1.00
58_K	93_Q	0.841	1.00
4_L	60_R	0.841	1.00
96_Y	128_N	0.835	1.00
126_Y	162_E	0.829	1.00
15_R	139_V	0.827	1.00
92_E	95_K	0.825	1.00
60_R	63_K	0.822	1.00
67_I	97_K	0.821	1.00
158_E	162_E	0.821	1.00
116_N	120_T	0.820	1.00
62_T	93_Q	0.817	1.00
115_L	133_Q	0.815	1.00
51_L	88_F	0.813	1.00
122_M	129_V	0.805	1.00
5_V	70_L	0.802	1.00
43_N	46_A	0.802	1.00
19_A	136_L	0.800	1.00
18_I	21_S	0.797	1.00
10_P	81_A	0.792	1.00
128_N	131_P	0.788	1.00
28_H	33_D	0.778	1.00
21_S	25_A	0.777	1.00
77_G	83_K	0.777	1.00
32_I	36_E	0.770	1.00
60_R	64_A	0.762	1.00
75_H	91_S	0.761	1.00
70_L	102_L	0.758	1.00
117_N	121_V	0.755	1.00
86_L	121_V	0.750	1.00
40_P	53_K	0.743	1.00
124_G	131_P	0.742	1.00
160_V	164_S	0.742	1.00
14_G	17_R	0.741	1.00
86_L	122_M	0.735	0.99
32_I	60_R	0.728	0.99
15_R	18_I	0.728	0.99
77_G	87_D	0.725	0.99
161_E	164_S	0.722	0.99
86_L	118_M	0.717	0.99
23_I	160_V	0.714	0.99
42_F	46_A	0.714	0.99
22_Y	153_K	0.713	0.99
89_L	94_F	0.709	0.99
5_V	31_L	0.706	0.99
23_I	70_L	0.702	0.99
66_A	98_P	0.696	0.99
94_F	127_A	0.695	0.99
140_H	152_I	0.691	0.99
99_V	129_V	0.688	0.99
3_M	167_A	0.686	0.99
112_I	116_N	0.684	0.99
67_I	99_V	0.680	0.99
108_G	138_P	0.674	0.99
6_I	57_L	0.672	0.99
149_A	152_I	0.670	0.99
10_P	80_G	0.665	0.99
72_P	79_S	0.663	0.99
130_I	162_E	0.663	0.99
14_G	33_D	0.661	0.99
85_A	89_L	0.658	0.99
8_G	71_S	0.651	0.99
96_Y	126_Y	0.646	0.99
11_R	44_G	0.642	0.99
113_N	116_N	0.641	0.99
69_L	118_M	0.639	0.99
141_I	147_T	0.638	0.99
113_N	120_T	0.637	0.99
44_G	48_Q	0.637	0.99
40_P	54_V	0.636	0.99
67_I	127_A	0.632	0.98
119_R	133_Q	0.628	0.98
58_K	62_T	0.627	0.98
30_D	63_K	0.626	0.98
61_V	93_Q	0.625	0.98
21_S	31_L	0.624	0.98
115_L	135_V	0.619	0.98
148_V	151_N	0.614	0.98
52_L	59_Q	0.614	0.98
126_Y	132_K	0.613	0.98
75_H	90_S	0.610	0.98
78_M	118_M	0.608	0.98
158_E	161_E	0.608	0.98
39_L	43_N	0.604	0.98
5_V	68_V	0.601	0.98
46_A	50_E	0.601	0.98
68_V	102_L	0.601	0.98
123_R	131_P	0.599	0.98
50_E	54_V	0.596	0.98
37_F	41_V	0.595	0.98
19_A	102_L	0.592	0.98
4_L	67_I	0.585	0.97
47_E	91_S	0.579	0.97
37_F	43_N	0.577	0.97
157_K	160_V	0.573	0.97
96_Y	165_M	0.573	0.97
8_G	82_L	0.573	0.97
100_A	130_I	0.569	0.97
42_F	47_E	0.569	0.97
51_L	54_V	0.566	0.97
3_M	29_T	0.560	0.97
45_E	84_N	0.559	0.97
109_K	113_N	0.559	0.97
16_T	20_A	0.558	0.97
84_N	88_F	0.553	0.96
143_V	148_V	0.551	0.96
4_L	61_V	0.550	0.96
100_A	134_L	0.542	0.96
81_A	85_A	0.535	0.96
96_Y	162_E	0.535	0.96
21_S	33_D	0.534	0.96
22_Y	26_L	0.534	0.96
2_N	65_D	0.534	0.96
90_S	93_Q	0.531	0.96
76_S	120_T	0.527	0.95
162_E	165_M	0.524	0.95
24_A	29_T	0.522	0.95
73_E	76_S	0.522	0.95
12_K	35_S	0.521	0.95
111_G	115_L	0.521	0.95
98_P	167_A	0.517	0.95
71_S	82_L	0.517	0.95
46_A	49_S	0.517	0.95
34_L	85_A	0.516	0.95
155_S	158_E	0.513	0.95
55_Q	58_K	0.512	0.95
42_F	84_N	0.510	0.94
163_L	166_F	0.510	0.94
33_D	36_E	0.509	0.94
136_L	140_H	0.507	0.94
18_I	141_I	0.506	0.94
35_S	38_V	0.501	0.94
40_P	43_N	0.501	0.94
33_D	38_V	0.500	0.94

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
2fzvA	5	0.977	100	0.374	Contact Map
3gfsA	5	0.9713	100	0.382	Contact Map
3u7rA	4	0.977	100	0.399	Contact Map
2q62A	4	0.9713	100	0.4	Contact Map
3svlA	4	0.9598	100	0.41	Contact Map
4hs4A	6	0.9713	100	0.427	Contact Map
3k1yA	4	0.9598	100	0.429	Contact Map
1rttA	1	0.9368	100	0.431	Contact Map
3fvwA	1	0.9483	100	0.438	Contact Map
4ptzC	4	0.954	100	0.457	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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