AZOR1 - BACSU - GREMLIN Contacts

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AZOR1 - FMN-dependent NADH-azoreductase 1

UniProt:	O35022	Sequences: MSTVLFVKSSDRTAEEGVSTKLYEAFLAAYKENNPNDEVVELDLHKENLPYLGRDMINGTFKAGQGMEMTEDEKKQAAIADKYLNQFVKADKVVFAFPLWNFTVPAVLHTYVDYLSRAGVTFKYTQEGPVGLMGGKKVALLNARGGVYSEGPMAALEMSLNFMKTVLGFWGVQDLHTVVIEGHNAAPDQAQEIVEKGLQEAKDLAAKF	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	208 (187)
Sequences:	4956 (3548)
Seq/√Len:	259.5

ECOLI - AZOR YCAK MDAB KEFG KEFF
BACSU - AZOR1 AZOR2 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_T	38_E	3.836	1.00
40_V	89_K	3.366	1.00
40_V	86_Q	2.909	1.00
25_A	198_L	2.886	1.00
42_L	86_Q	2.827	1.00
51_Y	106_A	2.751	1.00
3_T	40_V	2.697	1.00
123_K	130_V	2.598	1.00
88_V	120_V	2.551	1.00
26_F	141_L	2.411	1.00
24_E	28_A	2.337	1.00
85_N	89_K	2.308	1.00
138_V	167_L	2.251	1.00
43_D	46_K	2.154	1.00
51_Y	110_T	2.111	1.00
140_L	177_T	2.020	1.00
4_V	37_D	2.009	1.00
3_T	89_K	1.986	1.00
6_F	27_L	1.959	1.00
187_P	191_Q	1.926	1.00
9_S	107_V	1.813	1.00
81_D	85_N	1.784	1.00
8_K	23_Y	1.752	1.00
92_K	139_A	1.743	1.00
84_L	120_V	1.731	1.00
116_S	170_W	1.730	1.00
112_V	166_V	1.712	1.00
138_V	172_V	1.672	1.00
19_S	143_A	1.660	1.00
29_A	202_K	1.631	1.00
104_V	162_F	1.624	1.00
23_Y	96_A	1.580	1.00
8_K	41_E	1.576	1.00
50_P	53_G	1.560	1.00
25_A	29_A	1.538	1.00
26_F	30_Y	1.504	1.00
191_Q	195_E	1.493	1.00
195_E	198_L	1.492	1.00
8_K	20_T	1.480	1.00
27_L	31_K	1.475	1.00
85_N	88_V	1.474	1.00
112_V	116_S	1.468	1.00
25_A	28_A	1.467	1.00
93_V	138_V	1.457	1.00
11_D	100_W	1.427	1.00
79_I	82_K	1.422	1.00
30_Y	37_D	1.370	1.00
92_K	137_K	1.361	1.00
85_N	120_V	1.357	1.00
87_F	115_L	1.324	1.00
125_T	128_G	1.320	1.00
45_H	107_V	1.312	1.00
28_A	31_K	1.303	1.00
28_A	32_E	1.294	1.00
93_V	172_V	1.288	1.00
84_L	121_T	1.281	1.00
190_A	194_V	1.273	1.00
137_K	176_H	1.253	1.00
116_S	166_V	1.252	1.00
29_A	32_E	1.244	1.00
157_E	161_N	1.242	1.00
4_V	30_Y	1.239	1.00
6_F	24_E	1.237	1.00
12_R	16_E	1.235	1.00
4_V	92_K	1.215	1.00
123_K	132_L	1.195	1.00
29_A	33_N	1.166	1.00
133_M	172_V	1.155	1.00
109_H	113_D	1.152	1.00
6_F	23_Y	1.149	1.00
19_S	96_A	1.148	1.00
102_F	169_F	1.145	1.00
47_E	83_Y	1.144	1.00
9_S	108_L	1.138	1.00
23_Y	41_E	1.128	1.00
25_A	202_K	1.126	1.00
151_G	154_A	1.119	1.00
90_A	93_V	1.099	1.00
47_E	82_K	1.094	1.00
22_L	201_A	1.093	1.00
87_F	93_V	1.092	1.00
160_L	164_K	1.088	1.00
88_V	133_M	1.088	1.00
199_Q	202_K	1.078	1.00
137_K	174_D	1.067	1.00
115_L	170_W	1.063	1.00
186_A	189_Q	1.058	1.00
189_Q	192_E	1.048	1.00
125_T	130_V	1.047	1.00
37_D	92_K	1.047	1.00
164_K	168_G	1.046	1.00
53_G	56_M	1.046	1.00
11_D	107_V	1.045	1.00
30_Y	92_K	1.038	1.00
195_E	199_Q	1.034	1.00
196_K	200_E	1.025	1.00
6_F	41_E	1.021	1.00
78_A	82_K	1.018	1.00
81_D	120_V	1.017	1.00
5_L	86_Q	1.011	1.00
22_L	143_A	1.010	1.00
18_V	183_H	1.008	1.00
21_K	198_L	0.997	1.00
198_L	202_K	0.996	1.00
86_Q	111_Y	0.993	1.00
26_F	139_A	0.993	1.00
112_V	162_F	0.986	1.00
97_F	108_L	0.975	1.00
57_I	61_F	0.972	1.00
51_Y	114_Y	0.960	1.00
147_V	181_E	0.955	1.00
101_N	113_D	0.949	1.00
80_A	117_R	0.946	1.00
147_V	182_G	0.944	1.00
18_V	190_A	0.940	1.00
83_Y	111_Y	0.938	1.00
7_V	95_F	0.936	1.00
110_T	114_Y	0.924	1.00
144_R	179_V	0.921	1.00
144_R	181_E	0.918	1.00
158_M	161_N	0.907	1.00
4_V	94_V	0.907	1.00
21_K	190_A	0.907	1.00
52_L	56_M	0.889	1.00
42_L	83_Y	0.889	1.00
95_F	108_L	0.887	1.00
142_N	179_V	0.885	1.00
49_L	114_Y	0.884	1.00
18_V	194_V	0.884	1.00
106_A	110_T	0.882	1.00
24_E	41_E	0.880	1.00
49_L	110_T	0.878	1.00
5_L	90_A	0.872	1.00
97_F	140_L	0.865	1.00
31_K	38_E	0.855	1.00
29_A	198_L	0.852	0.99
91_D	136_K	0.836	0.99
27_L	41_E	0.835	0.99
42_L	111_Y	0.834	0.99
84_L	117_R	0.832	0.99
22_L	141_L	0.824	0.99
28_A	198_L	0.818	0.99
7_V	44_L	0.815	0.99
81_D	117_R	0.809	0.99
87_F	111_Y	0.805	0.99
192_E	196_K	0.804	0.99
130_V	134_G	0.804	0.99
135_G	174_D	0.803	0.99
79_I	114_Y	0.801	0.99
188_D	192_E	0.797	0.99
139_A	178_V	0.788	0.99
40_V	90_A	0.787	0.99
144_R	159_S	0.786	0.99
80_A	84_L	0.784	0.99
187_P	190_A	0.784	0.99
124_Y	129_P	0.781	0.99
148_Y	156_L	0.777	0.99
158_M	165_T	0.775	0.99
104_V	108_L	0.774	0.99
194_V	197_G	0.767	0.99
75_K	78_A	0.764	0.99
18_V	180_I	0.763	0.99
56_M	114_Y	0.760	0.99
61_F	64_G	0.759	0.99
26_F	94_V	0.755	0.99
157_E	160_L	0.754	0.99
33_N	37_D	0.754	0.99
154_A	157_E	0.752	0.99
195_E	202_K	0.751	0.99
188_D	191_Q	0.746	0.99
7_V	42_L	0.737	0.99
51_Y	107_V	0.733	0.98
8_K	24_E	0.726	0.98
38_E	89_K	0.724	0.98
18_V	21_K	0.723	0.98
99_L	144_R	0.723	0.98
123_K	126_Q	0.720	0.98
12_R	58_N	0.719	0.98
100_W	105_P	0.718	0.98
141_L	197_G	0.715	0.98
99_L	159_S	0.712	0.98
82_K	85_N	0.712	0.98
56_M	60_T	0.705	0.98
155_A	161_N	0.695	0.98
198_L	201_A	0.694	0.98
80_A	114_Y	0.684	0.98
87_F	133_M	0.682	0.98
21_K	194_V	0.680	0.98
101_N	122_F	0.680	0.98
141_L	178_V	0.675	0.97
102_F	165_T	0.674	0.97
140_L	167_L	0.674	0.97
98_P	105_P	0.671	0.97
112_V	163_M	0.670	0.97
95_F	167_L	0.663	0.97
79_I	83_Y	0.662	0.97
20_T	23_Y	0.657	0.97
12_R	15_E	0.649	0.97
148_Y	181_E	0.649	0.97
82_K	86_Q	0.647	0.97
193_I	196_K	0.644	0.97
3_T	91_D	0.643	0.97
144_R	148_Y	0.640	0.96
26_F	92_K	0.636	0.96
44_L	107_V	0.634	0.96
104_V	166_V	0.632	0.96
47_E	86_Q	0.631	0.96
100_W	107_V	0.627	0.96
106_A	114_Y	0.623	0.96
167_L	175_L	0.620	0.96
53_G	76_Q	0.615	0.96
3_T	90_A	0.615	0.96
15_E	46_K	0.615	0.96
137_K	172_V	0.614	0.96
6_F	96_A	0.613	0.95
147_V	150_E	0.612	0.95
9_S	45_H	0.611	0.95
57_I	60_T	0.608	0.95
99_L	142_N	0.607	0.95
22_L	180_I	0.604	0.95
103_T	162_F	0.604	0.95
59_G	62_K	0.604	0.95
97_F	159_S	0.603	0.95
164_K	177_T	0.601	0.95
95_F	163_M	0.601	0.95
59_G	77_A	0.601	0.95
83_Y	86_Q	0.600	0.95
47_E	79_I	0.594	0.95
168_G	175_L	0.594	0.95
161_N	165_T	0.592	0.95
190_A	193_I	0.590	0.94
25_A	194_V	0.589	0.94
5_L	42_L	0.586	0.94
23_Y	27_L	0.585	0.94
49_L	79_I	0.585	0.94
158_M	162_F	0.582	0.94
103_T	109_H	0.576	0.94
56_M	77_A	0.575	0.94
8_K	43_D	0.574	0.94
162_F	166_V	0.572	0.93
156_L	165_T	0.566	0.93
12_R	54_R	0.563	0.93
127_E	130_V	0.563	0.93
87_F	170_W	0.561	0.93
50_P	79_I	0.560	0.93
144_R	151_G	0.560	0.93
129_P	169_F	0.557	0.93
8_K	96_A	0.556	0.93
105_P	110_T	0.552	0.92
44_L	83_Y	0.551	0.92
18_V	184_N	0.549	0.92
86_Q	89_K	0.548	0.92
152_P	156_L	0.543	0.92
96_A	141_L	0.542	0.92
84_L	88_V	0.540	0.91
102_F	146_G	0.539	0.91
123_K	127_E	0.536	0.91
78_A	81_D	0.535	0.91
142_N	159_S	0.534	0.91
186_A	193_I	0.526	0.90
97_F	105_P	0.524	0.90
15_E	54_R	0.524	0.90
84_L	115_L	0.523	0.90
21_K	25_A	0.523	0.90
166_V	170_W	0.521	0.90
99_L	148_Y	0.519	0.90
58_N	61_F	0.518	0.90
189_Q	193_I	0.516	0.89
176_H	200_E	0.514	0.89
196_K	199_Q	0.514	0.89
81_D	84_L	0.513	0.89
58_N	62_K	0.512	0.89
143_A	183_H	0.512	0.89
155_A	160_L	0.507	0.89
20_T	24_E	0.506	0.89
178_V	196_K	0.504	0.88
7_V	111_Y	0.502	0.88
192_E	195_E	0.502	0.88
168_G	172_V	0.501	0.88
191_Q	194_V	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	0.9952	100	0.336	Contact Map
3w7aA	2	0.9952	100	0.343	Contact Map
2hpvA	2	0.9712	100	0.356	Contact Map
1d4aA	2	0.9808	100	0.37	Contact Map
3u7iA	2	0.9904	100	0.373	Contact Map
4n65A	2	0.9663	100	0.381	Contact Map
4c0xA	2	0.9567	100	0.386	Contact Map
1t5bA	2	0.9567	100	0.387	Contact Map
4gi5A	2	0.9808	100	0.395	Contact Map
4fglA	2	0.9808	100	0.41	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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