NADE - BACSU - GREMLIN Contacts

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NADE - NH(3)-dependent NAD(+) synthetase

UniProt:	P08164	Sequences: MSMQEKIMRELHVKPSIDPKQEIEDRVNFLKQYVKKTGAKGFVLGISGGQDSTLAGRLAQLAVESIREEGGDAQFIAVRLPHGTQQDEDDAQLALKFIKPDKSWKFDIKSTVSAFSDQYQQETGDQLTDFNKGNVKARTRMIAQYAIGGQEGLLVLGTDHAAEAVTGFFTKYGDGGADLLPLTGLTKRQGRTLLKELGAPERLYLKEPTADLLDEKPQQSDETELGISYDEIDDYLEGKEVSAKVSEALEKRYSMTEHKRQVPASMFDDWWK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	272 (238)
Sequences:	4538 (2531)
Seq/√Len:	164.0

ECOLI - NADE
BACSU - NADE
HALSA - NADE
SULSO - NADE

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
201_E	205_L	4.887	1.00
78_V	147_I	3.664	1.00
59_A	156_L	3.467	1.00
41_G	153_L	3.432	1.00
251_K	255_M	3.157	1.00
23_I	196_E	2.842	1.00
93_L	202_R	2.746	1.00
85_Q	89_D	2.622	1.00
77_A	100_P	2.496	1.00
248_A	252_R	2.445	1.00
54_L	194_L	2.403	1.00
34_V	42_F	2.278	1.00
20_K	196_E	2.276	1.00
30_L	58_L	2.190	1.00
243_A	247_E	2.143	1.00
46_I	95_L	2.075	1.00
90_D	206_K	2.070	1.00
257_E	261_Q	2.066	1.00
109_K	113_S	2.045	1.00
95_L	103_S	2.035	1.00
56_G	100_P	1.962	1.00
92_Q	96_K	1.914	1.00
45_G	144_Q	1.886	1.00
19_P	192_T	1.875	1.00
115_F	142_I	1.868	1.00
55_A	182_L	1.847	1.00
139_T	142_I	1.818	1.00
231_E	245_V	1.772	1.00
23_I	61_L	1.744	1.00
110_S	117_D	1.720	1.00
50_Q	194_L	1.657	1.00
42_F	63_V	1.652	1.00
90_D	202_R	1.617	1.00
79_R	103_S	1.605	1.00
195_K	201_E	1.603	1.00
93_L	96_K	1.598	1.00
115_F	139_T	1.591	1.00
238_G	241_V	1.583	1.00
76_I	104_W	1.548	1.00
192_T	195_K	1.541	1.00
92_Q	105_K	1.537	1.00
183_T	266_M	1.502	1.00
171_K	258_H	1.499	1.00
191_R	230_D	1.499	1.00
220_S	223_T	1.496	1.00
228_S	231_E	1.488	1.00
53_T	203_L	1.484	1.00
231_E	242_S	1.477	1.00
28_N	32_Q	1.476	1.00
20_K	24_E	1.448	1.00
135_V	142_I	1.446	1.00
169_F	175_G	1.443	1.00
76_I	153_L	1.441	1.00
186_T	189_Q	1.432	1.00
147_I	151_E	1.425	1.00
41_G	76_I	1.413	1.00
58_L	181_P	1.396	1.00
195_K	204_Y	1.392	1.00
222_E	228_S	1.387	1.00
131_N	146_A	1.377	1.00
207_E	220_S	1.373	1.00
252_R	255_M	1.370	1.00
112_V	139_T	1.356	1.00
166_T	232_I	1.348	1.00
42_F	59_A	1.340	1.00
94_A	203_L	1.326	1.00
93_L	97_F	1.320	1.00
41_G	74_Q	1.318	1.00
40_K	152_G	1.314	1.00
42_F	156_L	1.312	1.00
188_R	234_D	1.311	1.00
161_A	184_G	1.309	1.00
37_T	154_L	1.306	1.00
166_T	225_L	1.303	1.00
64_E	72_D	1.302	1.00
60_Q	72_D	1.294	1.00
177_A	180_L	1.293	1.00
79_R	88_E	1.292	1.00
234_D	239_K	1.285	1.00
111_T	118_Q	1.280	1.00
86_Q	202_R	1.276	1.00
24_E	28_N	1.258	1.00
89_D	202_R	1.251	1.00
50_Q	190_G	1.242	1.00
30_L	42_F	1.241	1.00
236_L	253_Y	1.238	1.00
56_G	98_I	1.237	1.00
61_L	197_L	1.235	1.00
56_G	77_A	1.234	1.00
57_R	61_L	1.233	1.00
92_Q	103_S	1.232	1.00
252_R	256_T	1.226	1.00
112_V	116_S	1.214	1.00
33_Y	36_K	1.210	1.00
256_T	260_R	1.192	1.00
186_T	236_L	1.189	1.00
43_V	147_I	1.180	1.00
248_A	251_K	1.178	1.00
88_E	92_Q	1.170	1.00
89_D	93_L	1.169	1.00
60_Q	98_I	1.163	1.00
23_I	197_L	1.155	1.00
195_K	205_L	1.154	1.00
64_E	75_F	1.147	1.00
88_E	105_K	1.145	1.00
111_T	139_T	1.143	1.00
160_H	221_D	1.135	1.00
79_R	91_A	1.133	1.00
166_T	252_R	1.114	1.00
34_V	63_V	1.088	1.00
31_K	35_K	1.087	1.00
175_G	263_P	1.079	1.00
60_Q	75_F	1.076	0.99
111_T	143_A	1.073	0.99
55_A	156_L	1.069	0.99
104_W	151_E	1.067	0.99
185_L	189_Q	1.065	0.99
77_A	95_L	1.061	0.99
244_K	248_A	1.059	0.99
50_Q	204_Y	1.049	0.99
101_D	104_W	1.045	0.99
23_I	27_V	1.043	0.99
234_D	241_V	1.038	0.99
247_E	251_K	1.030	0.99
87_D	211_D	1.030	0.99
27_V	31_K	1.026	0.99
86_Q	206_K	1.019	0.99
213_L	224_E	1.017	0.99
111_T	115_F	1.016	0.99
172_Y	176_G	1.015	0.99
156_L	179_L	1.005	0.99
27_V	62_A	0.999	0.99
23_I	58_L	0.997	0.99
237_E	240_E	0.990	0.99
57_R	98_I	0.985	0.99
191_R	207_E	0.982	0.99
79_R	92_Q	0.978	0.99
34_V	37_T	0.977	0.99
159_D	169_F	0.977	0.99
210_A	219_Q	0.974	0.99
30_L	179_L	0.970	0.99
257_E	260_R	0.966	0.99
157_G	177_A	0.964	0.99
113_S	116_S	0.962	0.99
111_T	114_A	0.960	0.99
210_A	221_D	0.957	0.99
26_R	58_L	0.950	0.99
113_S	117_D	0.923	0.98
119_Y	146_A	0.914	0.98
189_Q	192_T	0.914	0.98
97_F	199_A	0.913	0.98
92_Q	95_L	0.904	0.98
208_P	221_D	0.897	0.98
180_L	183_T	0.890	0.98
141_M	176_G	0.889	0.98
60_Q	64_E	0.882	0.98
179_L	267_F	0.881	0.98
77_A	103_S	0.878	0.98
53_T	94_A	0.878	0.98
32_Q	36_K	0.873	0.98
114_A	117_D	0.873	0.98
235_Y	250_E	0.871	0.98
178_D	258_H	0.871	0.98
83_G	86_Q	0.870	0.98
171_K	178_D	0.868	0.98
108_I	139_T	0.866	0.98
80_L	143_A	0.866	0.98
242_S	245_V	0.865	0.98
106_F	143_A	0.861	0.98
44_L	55_A	0.861	0.98
106_F	118_Q	0.856	0.97
41_G	151_E	0.854	0.97
89_D	92_Q	0.851	0.97
246_S	250_E	0.849	0.97
35_K	74_Q	0.845	0.97
219_Q	224_E	0.842	0.97
155_V	176_G	0.838	0.97
139_T	143_A	0.838	0.97
164_A	169_F	0.829	0.97
22_E	189_Q	0.816	0.97
30_L	181_P	0.816	0.97
110_S	118_Q	0.815	0.97
233_D	236_L	0.812	0.96
132_K	150_Q	0.805	0.96
43_V	153_L	0.801	0.96
100_P	103_S	0.800	0.96
194_L	204_Y	0.795	0.96
145_Y	178_D	0.794	0.96
107_D	110_S	0.792	0.96
125_D	150_Q	0.791	0.96
134_N	170_T	0.790	0.96
168_F	224_E	0.789	0.96
131_N	150_Q	0.788	0.96
188_R	237_E	0.787	0.96
168_F	210_A	0.786	0.96
114_A	118_Q	0.785	0.96
235_Y	246_S	0.780	0.96
39_A	152_G	0.778	0.96
244_K	247_E	0.773	0.95
160_H	208_P	0.769	0.95
155_V	258_H	0.766	0.95
45_G	80_L	0.761	0.95
63_V	75_F	0.758	0.95
27_V	61_L	0.753	0.95
40_K	74_Q	0.751	0.95
28_N	31_K	0.746	0.94
34_V	41_G	0.744	0.94
61_L	64_E	0.741	0.94
93_L	200_P	0.731	0.94
63_V	74_Q	0.726	0.94
76_I	151_E	0.726	0.94
26_R	184_G	0.725	0.94
59_A	75_F	0.722	0.93
172_Y	177_A	0.722	0.93
94_A	97_F	0.722	0.93
232_I	249_L	0.717	0.93
190_G	194_L	0.711	0.93
110_S	114_A	0.710	0.93
183_T	267_F	0.706	0.93
148_G	258_H	0.703	0.92
133_G	224_E	0.701	0.92
123_T	150_Q	0.698	0.92
44_L	56_G	0.697	0.92
19_P	196_E	0.695	0.92
146_A	150_Q	0.694	0.92
79_R	105_K	0.694	0.92
30_L	63_V	0.693	0.92
135_V	146_A	0.692	0.92
119_Y	123_T	0.691	0.92
22_E	26_R	0.691	0.92
164_A	183_T	0.688	0.92
108_I	112_V	0.687	0.92
110_S	113_S	0.683	0.91
60_Q	100_P	0.682	0.91
80_L	144_Q	0.679	0.91
168_F	219_Q	0.677	0.91
164_A	263_P	0.676	0.91
44_L	75_F	0.673	0.91
188_R	233_D	0.673	0.91
77_A	203_L	0.672	0.91
219_Q	223_T	0.670	0.91
72_D	99_K	0.669	0.90
136_K	211_D	0.667	0.90
157_G	176_G	0.666	0.90
82_H	113_S	0.665	0.90
89_D	96_K	0.660	0.90
80_L	155_V	0.657	0.90
226_G	229_Y	0.656	0.90
54_L	190_G	0.656	0.90
254_S	257_E	0.653	0.89
220_S	224_E	0.650	0.89
192_T	196_E	0.647	0.89
207_E	222_E	0.646	0.89
83_G	109_K	0.645	0.89
76_I	101_D	0.644	0.89
134_N	138_R	0.642	0.89
191_R	204_Y	0.641	0.89
250_E	254_S	0.640	0.88
101_D	153_L	0.635	0.88
86_Q	90_D	0.633	0.88
160_H	210_A	0.631	0.88
24_E	27_V	0.628	0.88
87_D	206_K	0.627	0.87
31_K	62_A	0.626	0.87
243_A	246_S	0.626	0.87
57_R	94_A	0.625	0.87
78_V	143_A	0.623	0.87
188_R	230_D	0.620	0.87
231_E	234_D	0.620	0.87
157_G	181_P	0.619	0.87
135_V	139_T	0.619	0.87
164_A	256_T	0.619	0.87
42_F	154_L	0.618	0.87
133_G	213_L	0.618	0.87
131_N	149_G	0.617	0.87
57_R	97_F	0.615	0.86
232_I	235_Y	0.613	0.86
22_E	25_D	0.613	0.86
54_L	197_L	0.613	0.86
57_R	64_E	0.611	0.86
237_E	241_V	0.611	0.86
106_F	119_Y	0.609	0.86
245_V	248_A	0.605	0.86
121_Q	124_G	0.598	0.85
47_S	51_D	0.598	0.85
162_A	232_I	0.595	0.85
46_I	94_A	0.595	0.85
179_L	183_T	0.593	0.84
88_E	91_A	0.591	0.84
128_T	131_N	0.591	0.84
133_G	137_A	0.589	0.84
165_V	253_Y	0.589	0.84
191_R	195_K	0.588	0.84
161_A	183_T	0.587	0.84
21_Q	25_D	0.586	0.84
104_W	107_D	0.585	0.84
57_R	199_A	0.582	0.83
231_E	235_Y	0.581	0.83
32_Q	35_K	0.579	0.83
104_W	147_I	0.577	0.83
130_F	133_G	0.577	0.83
95_L	100_P	0.577	0.83
128_T	150_Q	0.577	0.83
116_S	135_V	0.569	0.82
129_D	132_K	0.568	0.82
159_D	175_G	0.560	0.81
164_A	180_L	0.559	0.81
159_D	164_A	0.559	0.81
85_Q	88_E	0.557	0.81
222_E	230_D	0.556	0.80
84_T	211_D	0.556	0.80
86_Q	89_D	0.556	0.80
18_D	21_Q	0.555	0.80
112_V	135_V	0.551	0.80
37_T	183_T	0.550	0.80
79_R	83_G	0.550	0.80
214_D	218_Q	0.546	0.79
42_F	75_F	0.544	0.79
78_V	104_W	0.544	0.79
182_L	190_G	0.539	0.78
241_V	246_S	0.538	0.78
159_D	180_L	0.537	0.78
46_I	53_T	0.537	0.78
137_A	212_L	0.533	0.78
222_E	234_D	0.533	0.78
133_G	136_K	0.533	0.78
36_K	257_E	0.532	0.77
84_T	206_K	0.530	0.77
90_D	93_L	0.529	0.77
50_Q	191_R	0.529	0.77
50_Q	187_K	0.527	0.77
87_D	136_K	0.524	0.76
42_F	179_L	0.523	0.76
109_K	112_V	0.523	0.76
56_G	94_A	0.520	0.76
148_G	153_L	0.518	0.76
126_Q	129_D	0.517	0.75
30_L	156_L	0.515	0.75
47_S	163_E	0.515	0.75
159_D	177_A	0.515	0.75
134_N	137_A	0.513	0.75
43_V	78_V	0.513	0.75
141_M	145_Y	0.512	0.75
176_G	180_L	0.510	0.74
238_G	242_S	0.508	0.74
60_Q	77_A	0.508	0.74
64_E	99_K	0.508	0.74
86_Q	91_A	0.507	0.74
183_T	186_T	0.507	0.74
30_L	153_L	0.506	0.74
50_Q	54_L	0.506	0.74
79_R	95_L	0.505	0.74
175_G	178_D	0.504	0.74
240_E	246_S	0.503	0.73
166_T	249_L	0.501	0.73
171_K	175_G	0.501	0.73
43_V	148_G	0.500	0.73

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
1kqpA	2	0.9926	100	0.326	Contact Map
1wxiA	2	0.9412	100	0.328	Contact Map
4q16A	2	0.9963	100	0.334	Contact Map
4xfdA	1	0.9081	100	0.345	Contact Map
3q4gA	2	0.9338	100	0.345	Contact Map
3ilvA	2	0.8713	100	0.362	Contact Map
3dpiA	3	0.9449	100	0.363	Contact Map
4f4hA	2	0.8971	100	0.388	Contact Map
3n05A	2	0.875	100	0.402	Contact Map
1xngA	2	0.875	100	0.403	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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