NFSA - ECOLI - GREMLIN Contacts

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NFSA - Oxygen-insensitive NADPH nitroreductase

UniProt:	P17117	Sequences: MTPTIELICGHRSIRHFTDEPISEAQREAIINSARATSSSSFLQCSSIIRITDKALREELVTLTGGQKHVAQAAEFWVFCADFNRHLQICPDAQLGLAEQLLLGVVDTAMMAQNALIAAESLGLGGVYIGGLRNNIEAVTKLLKLPQHVLPLFGLCLGWPADNPDLKPRLPASILVHENSYQPLDKGALAQYDEQLAEYYLTRGSNNRRDTWSDHIRRTIIKESRPFILDYLHKQGWATR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11261
Length:	240 (233)
Sequences:	1621 (1203)
Seq/√Len:	78.8

ECOLI - NFSA RUTE NFNB YDJA
BACSU - NFRA1 NFRA2 YODC MHQN YDGI YFHC YFKO
HALSA - Q9HQZ4
SULSO - Q97VQ3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
52_T	179_N	4.159	1.00
116_L	126_G	3.377	1.00
80_C	149_V	3.279	1.00
56_L	179_N	3.203	1.00
60_L	139_V	3.175	1.00
23_S	26_Q	3.134	1.00
8_I	117_I	2.942	1.00
58_E	71_A	2.928	1.00
144_K	180_S	2.830	1.00
81_A	104_G	2.779	1.00
135_N	138_A	2.631	1.00
20_E	159_W	2.504	1.00
229_L	233_H	2.376	1.00
38_S	126_G	2.374	1.00
30_I	115_A	2.277	1.00
17_F	156_C	2.256	1.00
78_V	143_L	2.227	1.00
137_E	234_K	2.223	1.00
50_R	75_E	2.147	1.00
26_Q	159_W	2.119	1.00
116_L	155_L	2.110	1.00
50_R	176_V	2.082	1.00
132_L	139_V	2.047	1.00
3_P	6_E	2.041	1.00
24_E	52_T	2.033	1.00
52_T	178_E	1.998	1.00
79_F	115_A	1.986	1.00
56_L	180_S	1.977	1.00
29_A	122_L	1.958	1.00
18_T	161_A	1.918	1.00
54_K	58_E	1.904	1.00
124_L	159_W	1.900	1.00
194_E	198_E	1.882	1.00
193_D	213_S	1.868	1.00
138_A	141_K	1.860	1.00
55_A	58_E	1.859	1.00
28_E	172_A	1.844	1.00
189_L	213_S	1.836	1.00
140_T	235_Q	1.769	1.00
48_I	77_W	1.751	1.00
112_A	128_Y	1.706	1.00
14_I	164_P	1.703	1.00
77_W	115_A	1.700	1.00
34_A	115_A	1.676	1.00
127_V	156_C	1.608	1.00
140_T	231_Y	1.603	1.00
22_I	74_A	1.595	1.00
37_T	110_M	1.587	1.00
31_I	176_V	1.580	1.00
59_E	62_T	1.573	1.00
84_N	183_P	1.567	0.99
16_H	161_A	1.565	0.99
53_D	56_L	1.558	0.99
26_Q	30_I	1.554	0.99
62_T	66_G	1.554	0.99
9_C	29_A	1.540	0.99
137_E	141_K	1.535	0.99
63_L	135_N	1.530	0.99
63_L	138_A	1.506	0.99
102_L	105_V	1.471	0.99
48_I	79_F	1.436	0.99
26_Q	122_L	1.436	0.99
24_E	28_E	1.429	0.99
32_N	35_R	1.413	0.99
59_E	142_L	1.412	0.99
76_F	154_G	1.410	0.99
6_E	10_G	1.380	0.99
18_T	159_W	1.373	0.99
129_I	156_C	1.370	0.99
134_N	225_R	1.366	0.99
92_D	190_A	1.366	0.99
65_G	131_G	1.364	0.99
199_Y	203_R	1.358	0.99
126_G	157_L	1.333	0.98
53_D	179_N	1.315	0.98
59_E	138_A	1.299	0.98
61_V	71_A	1.297	0.98
46_S	111_M	1.283	0.98
47_S	177_H	1.276	0.98
28_E	32_N	1.255	0.98
30_I	119_A	1.233	0.97
76_F	129_I	1.233	0.97
76_F	156_C	1.221	0.97
48_I	111_M	1.207	0.97
22_I	25_A	1.199	0.97
210_D	215_H	1.197	0.97
26_Q	124_L	1.170	0.96
27_R	77_W	1.167	0.96
38_S	116_L	1.164	0.96
23_S	159_W	1.163	0.96
56_L	59_E	1.146	0.96
147_Q	235_Q	1.142	0.96
56_L	142_L	1.135	0.96
35_R	175_L	1.131	0.95
197_A	211_T	1.121	0.95
116_L	128_Y	1.096	0.95
32_N	172_A	1.075	0.94
27_R	31_I	1.075	0.94
54_K	180_S	1.069	0.94
77_W	157_L	1.068	0.94
227_F	230_D	1.065	0.94
112_A	153_F	1.063	0.94
93_A	193_D	1.050	0.93
193_D	211_T	1.038	0.93
99_E	133_R	1.034	0.93
88_Q	91_P	1.033	0.93
84_N	88_Q	1.029	0.93
230_D	234_K	1.029	0.93
107_D	130_G	1.027	0.92
49_I	80_C	1.026	0.92
182_Q	185_D	1.008	0.92
64_T	131_G	1.006	0.92
198_E	201_L	0.998	0.91
174_I	188_A	0.990	0.91
119_A	126_G	0.987	0.91
101_L	104_G	0.977	0.90
187_G	190_A	0.973	0.90
186_K	190_A	0.962	0.90
4_T	7_L	0.962	0.90
69_H	162_D	0.960	0.90
54_K	57_R	0.960	0.90
36_A	166_L	0.957	0.90
101_L	232_L	0.942	0.89
87_L	148_H	0.940	0.89
16_H	162_D	0.934	0.88
29_A	33_S	0.930	0.88
79_F	108_T	0.930	0.88
87_L	91_P	0.925	0.88
173_S	191_Q	0.924	0.88
48_I	176_V	0.922	0.88
198_E	202_T	0.918	0.88
69_H	129_I	0.916	0.87
11_H	114_N	0.915	0.87
55_A	59_E	0.906	0.87
83_F	104_G	0.903	0.87
31_I	50_R	0.899	0.86
125_G	160_P	0.896	0.86
24_E	178_E	0.893	0.86
46_S	175_L	0.890	0.86
50_R	178_E	0.887	0.86
4_T	117_I	0.886	0.86
11_H	120_E	0.883	0.85
106_V	153_F	0.872	0.85
68_K	72_Q	0.871	0.85
34_A	111_M	0.864	0.84
227_F	231_Y	0.864	0.84
40_S	99_E	0.861	0.84
128_Y	153_F	0.861	0.84
5_I	118_A	0.857	0.84
126_G	155_L	0.857	0.84
111_M	115_A	0.856	0.84
64_T	67_Q	0.854	0.83
61_V	64_T	0.849	0.83
12_R	164_P	0.846	0.83
113_Q	128_Y	0.843	0.83
6_E	9_C	0.843	0.83
9_C	32_N	0.838	0.82
102_L	106_V	0.838	0.82
73_A	156_C	0.826	0.81
5_I	29_A	0.821	0.81
173_S	188_A	0.818	0.81
91_P	94_Q	0.815	0.81
21_P	74_A	0.811	0.80
211_T	214_D	0.806	0.80
161_A	164_P	0.806	0.80
68_K	71_A	0.805	0.80
63_L	142_L	0.803	0.80
9_C	33_S	0.798	0.79
187_G	191_Q	0.797	0.79
165_D	204_G	0.795	0.79
81_A	152_L	0.793	0.79
106_V	109_A	0.789	0.78
52_T	75_E	0.788	0.78
78_V	132_L	0.788	0.78
185_D	188_A	0.788	0.78
28_E	173_S	0.774	0.77
74_A	124_L	0.772	0.77
5_I	121_S	0.771	0.77
11_H	126_G	0.770	0.77
105_V	150_L	0.768	0.76
145_L	149_V	0.764	0.76
8_I	33_S	0.759	0.76
22_I	26_Q	0.757	0.75
56_L	144_K	0.755	0.75
202_T	205_S	0.751	0.75
109_A	153_F	0.750	0.75
8_I	118_A	0.748	0.75
84_N	149_V	0.745	0.74
136_I	231_Y	0.745	0.74
201_L	209_R	0.742	0.74
42_F	196_L	0.741	0.74
201_L	218_R	0.728	0.73
33_S	117_I	0.726	0.72
38_S	128_Y	0.724	0.72
145_L	181_Y	0.724	0.72
230_D	233_H	0.724	0.72
223_E	226_P	0.722	0.72
5_I	122_L	0.715	0.71
86_H	216_I	0.714	0.71
202_T	206_N	0.713	0.71
4_T	121_S	0.709	0.71
61_V	66_G	0.706	0.70
191_Q	195_Q	0.706	0.70
4_T	8_I	0.706	0.70
75_E	176_V	0.704	0.70
45_C	103_L	0.701	0.70
136_I	151_P	0.700	0.70
38_S	155_L	0.696	0.69
64_T	70_V	0.688	0.68
119_A	157_L	0.686	0.68
84_N	148_H	0.684	0.68
46_S	109_A	0.677	0.67
50_R	77_W	0.676	0.67
20_E	23_S	0.669	0.66
58_E	61_V	0.668	0.66
14_I	162_D	0.668	0.66
87_L	147_Q	0.667	0.66
133_R	212_W	0.666	0.66
67_Q	70_V	0.658	0.65
194_E	202_T	0.657	0.65
220_I	224_S	0.656	0.65
5_I	33_S	0.655	0.64
22_I	157_L	0.653	0.64
206_N	209_R	0.652	0.64
25_A	28_E	0.652	0.64
114_N	117_I	0.648	0.64
194_E	197_A	0.648	0.64
26_Q	115_A	0.647	0.63
22_I	124_L	0.647	0.63
118_A	121_S	0.646	0.63
124_L	157_L	0.645	0.63
202_T	234_K	0.645	0.63
177_H	182_Q	0.644	0.63
196_L	200_Y	0.644	0.63
172_A	176_V	0.643	0.63
16_H	72_Q	0.638	0.62
106_V	128_Y	0.637	0.62
226_P	230_D	0.637	0.62
99_E	225_R	0.636	0.62
48_I	115_A	0.635	0.62
191_Q	194_E	0.634	0.62
110_M	113_Q	0.633	0.62
34_A	114_N	0.628	0.61
93_A	214_D	0.628	0.61
50_R	57_R	0.627	0.61
31_I	172_A	0.625	0.61
115_A	155_L	0.625	0.61
49_I	194_E	0.623	0.61
204_G	209_R	0.619	0.60
40_S	154_G	0.618	0.60
196_L	215_H	0.618	0.60
12_R	163_N	0.617	0.60
195_Q	198_E	0.617	0.60
40_S	130_G	0.616	0.60
193_D	203_R	0.612	0.59
132_L	151_P	0.612	0.59
111_M	175_L	0.609	0.59
26_Q	29_A	0.607	0.59
15_R	130_G	0.606	0.58
22_I	28_E	0.606	0.58
147_Q	236_G	0.605	0.58
227_F	234_K	0.605	0.58
200_Y	215_H	0.604	0.58
125_G	128_Y	0.599	0.58
33_S	118_A	0.599	0.58
75_E	157_L	0.599	0.58
200_Y	203_R	0.598	0.57
104_G	150_L	0.598	0.57
105_V	109_A	0.597	0.57
194_E	234_K	0.590	0.56
201_L	205_S	0.590	0.56
109_A	113_Q	0.590	0.56
210_D	214_D	0.590	0.56
205_S	214_D	0.590	0.56
197_A	209_R	0.589	0.56
7_L	57_R	0.588	0.56
57_R	75_E	0.586	0.56
165_D	202_T	0.582	0.55
140_T	147_Q	0.580	0.55
70_V	85_R	0.579	0.55
79_F	112_A	0.579	0.55
31_I	37_T	0.579	0.55
144_K	183_P	0.579	0.55
74_A	159_W	0.578	0.55
73_A	76_F	0.576	0.55
209_R	213_S	0.576	0.55
60_L	154_G	0.574	0.54
42_F	192_Y	0.573	0.54
43_L	100_Q	0.570	0.54
214_D	218_R	0.567	0.54
77_W	176_V	0.566	0.53
40_S	103_L	0.566	0.53
96_G	148_H	0.564	0.53
40_S	134_N	0.558	0.52
11_H	38_S	0.557	0.52
200_Y	206_N	0.557	0.52
199_Y	206_N	0.557	0.52
51_I	78_V	0.556	0.52
81_A	149_V	0.552	0.52
216_I	220_I	0.552	0.52
58_E	62_T	0.549	0.51
38_S	153_F	0.547	0.51
76_F	131_G	0.545	0.51
125_G	130_G	0.544	0.51
35_R	176_V	0.544	0.51
19_D	23_S	0.544	0.51
50_R	74_A	0.544	0.51
216_I	222_K	0.542	0.50
183_P	191_Q	0.542	0.50
40_S	69_H	0.541	0.50
46_S	108_T	0.539	0.50
27_R	75_E	0.537	0.50
215_H	220_I	0.534	0.49
225_R	228_I	0.533	0.49
51_I	143_L	0.531	0.49
88_Q	183_P	0.531	0.49
174_I	192_Y	0.529	0.49
10_G	163_N	0.524	0.48
214_D	217_R	0.522	0.48
22_I	122_L	0.522	0.48
49_I	143_L	0.521	0.48
63_L	131_G	0.519	0.47
17_F	69_H	0.519	0.47
86_H	100_Q	0.518	0.47
41_S	128_Y	0.518	0.47
206_N	210_D	0.518	0.47
18_T	162_D	0.517	0.47
105_V	152_L	0.517	0.47
219_T	222_K	0.516	0.47
102_L	232_L	0.516	0.47
22_I	176_V	0.515	0.47
10_G	166_L	0.515	0.47
193_D	196_L	0.514	0.47
31_I	77_W	0.512	0.46
195_Q	218_R	0.512	0.46
81_A	109_A	0.512	0.46
38_S	120_E	0.511	0.46
69_H	128_Y	0.511	0.46
92_D	193_D	0.511	0.46
11_H	117_I	0.510	0.46
190_A	194_E	0.510	0.46
47_S	85_R	0.508	0.46
30_I	155_L	0.507	0.46
59_E	63_L	0.507	0.46
23_S	191_Q	0.504	0.45
83_F	148_H	0.502	0.45
15_R	125_G	0.501	0.45
57_R	73_A	0.501	0.45
60_L	132_L	0.501	0.45
130_G	168_P	0.500	0.45

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
1f5vA	2	1	100	0.198	Contact Map
1bkjA	2	0.9583	100	0.198	Contact Map
3n2sA	2	0.9958	100	0.198	Contact Map
1zchA	2	1	100	0.199	Contact Map
3eofA	2	0.9583	100	0.284	Contact Map
3bemA	2	0.7375	100	0.43	Contact Map
3gagA	4	0.7417	100	0.434	Contact Map
1noxA	2	0.7375	100	0.435	Contact Map
3ge6A	2	0.7375	100	0.438	Contact Map
3gbhA	3	0.7375	100	0.438	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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