NADE - ECOLI - GREMLIN Contacts

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

UniProt:	P18843	Sequences: MTLQQQIIKALGAKPQINAEEEIRRSVDFLKSYLQTYPFIKSLVLGISGGQDSTLAGKLCQMAINELRLETGNESLQFIAVRLPYGVQADEQDCQDAIAFIQPDRVLTVNIKGAVLASEQALREAGIELSDFVRGNEKARERMKAQYSIAGMTSGVVVGTDHAAEAITGFFTKYGDGGTDINPLYRLNKRQGKQLLAALACPEHLYKKAPTADLEDDRPSLPDEVALGVTYDNIDDYLEGKNVPQQVARTIENWYLKTEHKRRPPITVFDDFWKK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG10663
Length:	275 (238)
Sequences:	4560 (2560)
Seq/√Len:	166.0

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
203_E	207_K	4.866	1.00
81_V	149_I	3.734	1.00
60_C	158_V	3.440	1.00
42_S	155_G	3.400	1.00
253_N	257_K	3.119	1.00
23_I	198_A	2.780	1.00
96_D	204_H	2.670	1.00
88_Q	92_Q	2.516	1.00
250_T	254_W	2.510	1.00
245_Q	249_R	2.455	1.00
80_A	104_D	2.436	1.00
55_L	196_L	2.354	1.00
34_L	43_L	2.271	1.00
20_E	198_A	2.213	1.00
30_L	59_L	2.181	1.00
98_I	106_V	2.067	1.00
112_K	116_L	2.051	1.00
47_I	98_I	2.022	1.00
93_D	208_K	1.980	1.00
259_E	263_R	1.974	1.00
46_G	146_Q	1.936	1.00
95_Q	99_A	1.933	1.00
118_S	144_K	1.932	1.00
19_A	194_Q	1.895	1.00
57_G	104_D	1.882	1.00
56_A	184_L	1.856	1.00
141_E	144_K	1.806	1.00
233_N	247_V	1.738	1.00
23_I	62_M	1.703	1.00
113_G	120_Q	1.676	1.00
51_Q	196_L	1.657	1.00
96_D	99_A	1.629	1.00
240_G	243_V	1.626	1.00
43_L	64_I	1.622	1.00
93_D	204_H	1.614	1.00
118_S	141_E	1.610	1.00
82_R	106_V	1.609	1.00
197_A	203_E	1.564	1.00
185_Y	268_V	1.558	1.00
95_Q	108_T	1.548	1.00
194_Q	197_A	1.542	1.00
105_R	153_T	1.534	1.00
173_K	260_H	1.529	1.00
233_N	244_P	1.525	1.00
42_S	79_I	1.513	1.00
193_K	232_D	1.486	1.00
28_D	32_S	1.478	1.00
54_T	205_L	1.466	1.00
137_E	144_K	1.458	1.00
230_T	233_N	1.449	1.00
171_F	177_G	1.445	1.00
79_I	107_L	1.441	1.00
222_P	225_V	1.438	1.00
59_L	183_P	1.429	1.00
188_N	191_Q	1.426	1.00
79_I	155_G	1.388	1.00
197_A	206_Y	1.386	1.00
43_L	60_C	1.379	1.00
61_Q	66_E	1.374	1.00
133_V	148_S	1.373	1.00
149_I	153_T	1.372	1.00
20_E	24_R	1.370	1.00
236_D	241_K	1.367	1.00
168_T	234_I	1.366	1.00
43_L	158_V	1.361	1.00
224_E	230_T	1.361	1.00
115_V	141_E	1.350	1.00
42_S	77_Q	1.336	1.00
163_A	186_R	1.330	1.00
97_A	205_L	1.327	1.00
96_D	100_F	1.323	1.00
209_A	222_P	1.314	1.00
24_R	66_E	1.309	1.00
254_W	257_K	1.304	1.00
38_P	156_V	1.303	1.00
57_G	101_I	1.301	1.00
41_K	154_S	1.289	1.00
92_Q	204_H	1.286	1.00
179_T	182_N	1.279	1.00
238_L	255_Y	1.259	1.00
168_T	227_L	1.249	1.00
30_L	43_L	1.248	1.00
51_Q	192_G	1.246	1.00
89_A	204_H	1.237	1.00
254_W	258_T	1.235	1.00
95_Q	106_V	1.235	1.00
91_E	95_Q	1.224	1.00
114_A	121_A	1.223	1.00
44_V	149_I	1.193	1.00
190_R	236_D	1.190	1.00
82_R	91_E	1.189	1.00
58_K	62_M	1.179	1.00
197_A	207_K	1.179	1.00
33_Y	36_T	1.178	1.00
250_T	253_N	1.178	1.00
24_R	28_D	1.174	1.00
188_N	238_L	1.167	1.00
258_T	262_R	1.164	1.00
115_V	119_E	1.149	1.00
82_R	94_C	1.145	1.00
34_L	64_I	1.144	1.00
57_G	80_A	1.138	1.00
23_I	199_L	1.137	1.00
92_Q	96_D	1.130	1.00
114_A	141_E	1.119	1.00
62_M	199_L	1.112	1.00
168_T	254_W	1.112	1.00
114_A	145_A	1.104	1.00
31_K	35_Q	1.091	1.00
61_Q	78_F	1.089	1.00
177_G	265_P	1.082	1.00
65_N	78_F	1.082	1.00
61_Q	101_I	1.079	1.00
114_A	118_S	1.074	1.00
236_D	243_V	1.074	1.00
162_H	223_D	1.073	1.00
91_E	108_T	1.065	0.99
56_A	158_V	1.061	0.99
249_R	253_N	1.057	0.99
187_L	191_Q	1.056	0.99
259_E	262_R	1.051	0.99
34_L	38_P	1.045	0.99
23_I	27_V	1.040	0.99
215_E	226_A	1.040	0.99
27_V	31_K	1.035	0.99
23_I	59_L	1.027	0.99
193_K	209_A	1.010	0.99
158_V	181_I	1.009	0.99
246_Q	250_T	1.007	0.99
89_A	208_K	0.997	0.99
107_L	153_T	0.991	0.99
159_G	179_T	0.988	0.99
31_K	66_E	0.984	0.99
90_D	213_D	0.983	0.99
212_A	223_D	0.978	0.99
35_Q	77_Q	0.976	0.99
116_L	119_E	0.974	0.99
244_P	247_V	0.965	0.99
77_Q	105_R	0.965	0.99
181_I	269_F	0.956	0.99
182_N	185_Y	0.956	0.99
161_D	171_F	0.953	0.99
80_A	98_I	0.950	0.99
51_Q	206_Y	0.945	0.99
174_Y	178_G	0.944	0.99
111_I	141_E	0.941	0.99
29_F	269_F	0.940	0.99
27_V	63_A	0.938	0.99
58_K	101_I	0.938	0.99
95_Q	98_I	0.936	0.99
86_G	89_A	0.933	0.99
26_S	59_L	0.930	0.99
114_A	117_A	0.927	0.99
79_I	105_R	0.926	0.99
210_P	223_D	0.922	0.98
116_L	120_Q	0.915	0.98
100_F	201_C	0.914	0.98
32_S	36_T	0.913	0.98
61_Q	65_N	0.906	0.98
54_T	97_A	0.891	0.98
87_V	90_D	0.890	0.98
191_Q	194_Q	0.888	0.98
134_R	152_M	0.887	0.98
143_M	178_G	0.885	0.98
82_R	95_Q	0.884	0.98
117_A	120_Q	0.879	0.98
122_L	148_S	0.878	0.98
30_L	181_I	0.877	0.98
92_Q	95_Q	0.865	0.98
173_K	180_D	0.863	0.98
117_A	121_A	0.859	0.98
237_Y	252_E	0.857	0.98
133_V	152_M	0.852	0.97
109_V	145_A	0.852	0.97
166_A	171_F	0.845	0.97
180_D	260_H	0.843	0.97
42_S	153_T	0.842	0.97
97_A	100_F	0.839	0.97
212_A	218_R	0.838	0.97
83_L	145_A	0.833	0.97
109_V	121_A	0.828	0.97
22_E	191_Q	0.826	0.97
113_G	121_A	0.822	0.97
141_E	145_A	0.821	0.97
196_L	206_Y	0.812	0.97
237_Y	248_A	0.807	0.96
170_F	226_A	0.805	0.96
235_D	238_L	0.804	0.96
170_F	212_A	0.802	0.96
127_I	152_M	0.802	0.96
248_A	252_E	0.800	0.96
246_Q	249_R	0.800	0.96
157_V	178_G	0.797	0.96
30_L	183_P	0.793	0.96
44_V	155_G	0.788	0.96
45_L	56_A	0.785	0.96
147_Y	180_D	0.783	0.96
239_E	242_N	0.779	0.96
136_N	172_T	0.778	0.96
28_D	31_K	0.773	0.96
113_G	117_A	0.767	0.95
79_I	153_T	0.767	0.95
62_M	65_N	0.763	0.95
85_Y	90_D	0.760	0.95
110_N	113_G	0.759	0.95
157_V	260_H	0.757	0.95
162_H	210_P	0.753	0.95
92_Q	99_A	0.752	0.95
64_I	77_Q	0.749	0.95
137_E	148_S	0.739	0.94
40_I	154_S	0.739	0.94
80_A	205_L	0.734	0.94
88_Q	91_E	0.730	0.94
26_S	186_R	0.728	0.94
64_I	78_F	0.727	0.94
190_R	239_E	0.726	0.94
45_L	57_G	0.721	0.94
148_S	152_M	0.720	0.93
27_V	62_M	0.720	0.93
101_I	104_D	0.717	0.93
82_R	108_T	0.710	0.93
190_R	235_D	0.709	0.93
185_Y	269_F	0.704	0.93
22_E	26_S	0.698	0.92
190_R	232_D	0.698	0.92
30_L	64_I	0.696	0.92
46_G	83_L	0.696	0.92
136_N	140_R	0.695	0.92
41_K	77_Q	0.693	0.92
113_G	116_L	0.693	0.92
192_G	196_L	0.691	0.92
135_G	226_A	0.691	0.92
243_V	248_A	0.688	0.92
166_A	265_P	0.688	0.92
174_Y	179_T	0.688	0.92
159_G	178_G	0.686	0.92
150_A	260_H	0.685	0.92
252_E	256_L	0.684	0.92
19_A	198_A	0.678	0.91
109_V	122_L	0.674	0.91
34_L	42_S	0.669	0.91
247_V	250_T	0.669	0.91
234_I	251_I	0.661	0.90
55_L	192_G	0.660	0.90
166_A	258_T	0.659	0.90
22_E	25_R	0.658	0.90
166_A	185_Y	0.657	0.90
170_F	218_R	0.656	0.90
86_G	112_K	0.654	0.90
162_H	212_A	0.652	0.90
209_A	224_E	0.641	0.89
234_I	237_Y	0.641	0.89
58_K	97_A	0.641	0.89
133_V	151_G	0.637	0.89
89_A	93_D	0.634	0.88
31_K	63_A	0.633	0.88
58_K	100_F	0.631	0.88
61_Q	104_D	0.626	0.88
167_I	255_Y	0.626	0.88
138_K	213_D	0.626	0.88
107_L	149_I	0.625	0.88
58_K	65_N	0.625	0.88
81_V	107_L	0.624	0.87
137_E	141_E	0.622	0.87
245_Q	248_A	0.622	0.87
233_N	236_D	0.620	0.87
96_D	202_P	0.619	0.87
159_G	183_P	0.616	0.87
65_N	104_D	0.616	0.87
24_R	27_V	0.616	0.87
83_L	157_V	0.615	0.87
193_K	206_Y	0.614	0.87
224_E	228_G	0.609	0.86
107_L	110_N	0.607	0.86
32_S	35_Q	0.605	0.86
193_K	197_A	0.605	0.86
256_L	259_E	0.604	0.86
228_G	231_Y	0.604	0.86
111_I	115_V	0.596	0.85
164_A	234_I	0.595	0.85
82_R	86_G	0.595	0.85
233_N	237_Y	0.592	0.85
43_L	181_I	0.592	0.85
81_V	145_A	0.591	0.85
91_E	94_C	0.590	0.84
60_C	78_F	0.590	0.84
66_E	76_L	0.589	0.84
126_G	129_L	0.587	0.84
89_A	92_Q	0.586	0.84
135_G	139_A	0.585	0.84
43_L	156_V	0.585	0.84
194_Q	198_A	0.584	0.84
55_L	199_L	0.582	0.84
80_A	106_V	0.581	0.84
97_A	101_I	0.581	0.84
130_S	152_M	0.580	0.83
163_A	185_Y	0.580	0.83
47_I	97_A	0.578	0.83
93_D	96_D	0.577	0.83
18_N	21_E	0.576	0.83
115_V	137_E	0.572	0.83
83_L	146_Q	0.571	0.82
48_S	52_D	0.570	0.82
119_E	137_E	0.569	0.82
58_K	201_C	0.567	0.82
86_G	90_D	0.567	0.82
166_A	182_N	0.566	0.82
239_E	248_A	0.565	0.82
107_L	125_A	0.564	0.82
161_D	182_N	0.562	0.81
168_T	251_I	0.561	0.81
130_S	133_V	0.561	0.81
135_G	215_E	0.558	0.81
181_I	185_Y	0.558	0.81
161_D	177_G	0.556	0.81
105_R	155_G	0.556	0.81
132_F	135_G	0.555	0.81
222_P	226_A	0.552	0.80
224_E	232_D	0.550	0.80
66_E	102_Q	0.549	0.80
21_E	25_R	0.548	0.80
38_P	185_Y	0.547	0.80
172_T	261_K	0.546	0.80
242_N	248_A	0.546	0.80
85_Y	116_L	0.545	0.80
36_T	259_E	0.544	0.79
131_D	134_R	0.543	0.79
123_R	251_I	0.539	0.79
89_A	94_C	0.538	0.79
150_A	155_G	0.538	0.79
161_D	166_A	0.537	0.79
135_G	138_K	0.535	0.78
51_Q	189_K	0.533	0.78
98_I	104_D	0.532	0.78
118_S	148_S	0.531	0.78
232_D	239_E	0.529	0.77
119_E	123_R	0.529	0.77
51_Q	193_K	0.529	0.77
173_K	177_G	0.528	0.77
200_A	206_Y	0.526	0.77
164_A	231_Y	0.525	0.77
139_A	214_L	0.523	0.77
48_S	165_E	0.519	0.76
218_R	222_P	0.517	0.76
161_D	179_T	0.516	0.76
184_L	192_G	0.515	0.76
42_S	154_S	0.515	0.76
112_K	115_V	0.515	0.76
128_E	131_D	0.511	0.75
139_A	172_T	0.510	0.75
243_V	251_I	0.510	0.75
136_N	139_A	0.509	0.75
243_V	247_V	0.506	0.74
143_M	147_Y	0.504	0.74
224_E	236_D	0.501	0.74
178_G	182_N	0.500	0.73
79_I	149_I	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
1wxiA	2	0.9455	100	0.328	Contact Map
1kqpA	2	0.9709	100	0.34	Contact Map
4q16A	2	0.9709	100	0.343	Contact Map
3q4gA	2	0.9273	100	0.35	Contact Map
4xfdA	1	0.9018	100	0.352	Contact Map
3ilvA	2	0.8364	100	0.362	Contact Map
3dpiA	3	0.9309	100	0.375	Contact Map
4f4hA	2	0.8873	100	0.392	Contact Map
3n05A	2	0.8691	100	0.399	Contact Map
3sdbA	6	0.88	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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