NADA - ECOLI - GREMLIN Contacts

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NADA - Quinolinate synthase A

UniProt:	P11458	Sequences: MSVMFDPDTAIYPFPPKPTPLSIDEKAYYREKIKRLLKERNAVMVAHYYTDPEIQQLAEETGGCISDSLEMARFGAKHPASTLLVAGVRFMGETAKILSPEKTILMPTLQAECSLDLGCPVEEFNAFCDAHPDRTVVVYANTSAAVKARADWVVTSSIAVELIDHLDSLGEKIIWAPDKHLGRYVQKQTGGDILCWQGACIVHDEFKTQALTRLQEEYPDAAILVHPESPQAIVDMADAVGSTSQLIAAAKTLPHQRLIVATDRGIFYKMQQAVPDKELLEAPTAGEGATCRSCAHCPWMAMNGLQAIAEALEQEGSNHEVHVDERLRERALVPLNRMLDFAATLRG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG10630
Length:	347 (300)
Sequences:	2277 (1190)
Seq/√Len:	68.7

ECOLI - NADA
BACSU - NADA
HALSA - NADA
SULSO - NADA

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
41_N	81_S	4.273	1.00
32_K	313_E	3.240	1.00
336_N	340_D	3.034	1.00
239_A	245_Q	3.006	1.00
257_R	278_E	2.954	1.00
325_E	328_R	2.774	1.00
248_A	252_T	2.770	1.00
218_Y	257_R	2.735	1.00
220_D	257_R	2.719	1.00
172_K	192_D	2.701	1.00
35_R	39_E	2.687	1.00
225_V	234_V	2.663	1.00
56_Q	268_Y	2.494	1.00
94_T	335_L	2.470	1.00
323_V	328_R	2.451	1.00
328_R	332_L	2.446	1.00
125_N	149_R	2.434	1.00
103_T	315_E	2.410	1.00
325_E	329_E	2.375	1.00
182_G	195_C	2.375	1.00
82_T	315_E	2.368	1.00
225_V	237_A	2.305	1.00
74_F	77_K	2.281	1.00
251_K	273_A	2.254	1.00
40_R	315_E	2.237	1.00
103_T	320_E	2.237	1.00
32_K	35_R	2.233	1.00
108_T	307_A	2.227	1.00
138_V	142_T	2.132	1.00
332_L	336_N	2.093	1.00
212_T	236_M	2.049	1.00
253_L	258_L	2.015	1.00
82_T	105_L	2.010	1.00
34_K	37_L	1.963	1.00
112_E	117_L	1.930	1.00
222_A	249_A	1.922	1.00
309_A	313_E	1.909	1.00
70_E	74_F	1.907	1.00
160_V	185_V	1.904	1.00
70_E	244_S	1.898	1.00
269_K	273_A	1.889	1.00
29_Y	309_A	1.860	1.00
234_V	240_V	1.777	1.00
251_K	274_V	1.765	1.00
215_Q	238_D	1.753	1.00
60_E	70_E	1.751	1.00
138_V	150_A	1.738	1.00
208_T	236_M	1.729	1.00
246_L	270_M	1.716	1.00
256_Q	276_D	1.678	0.99
212_T	216_E	1.643	0.99
337_R	340_D	1.640	0.99
76_A	99_S	1.624	0.99
32_K	309_A	1.623	0.99
222_A	255_H	1.621	0.99
40_R	103_T	1.611	0.99
314_Q	318_N	1.610	0.99
311_A	319_H	1.594	0.99
40_R	82_T	1.592	0.99
126_A	129_D	1.588	0.99
85_V	95_A	1.574	0.99
160_V	164_D	1.571	0.99
96_K	320_E	1.559	0.99
60_E	74_F	1.540	0.99
40_R	81_S	1.514	0.99
250_A	279_L	1.501	0.99
152_W	165_H	1.490	0.99
222_A	253_L	1.464	0.99
250_A	274_V	1.448	0.98
82_T	103_T	1.445	0.98
160_V	188_Q	1.426	0.98
126_A	130_A	1.424	0.98
135_T	171_E	1.423	0.98
84_L	105_L	1.421	0.98
330_R	333_V	1.410	0.98
231_Q	235_D	1.393	0.98
211_L	223_I	1.391	0.98
165_H	341_F	1.387	0.98
115_L	118_G	1.386	0.98
163_I	185_V	1.367	0.98
213_R	217_E	1.349	0.98
97_I	144_A	1.336	0.97
131_H	194_L	1.329	0.97
310_E	314_Q	1.326	0.97
96_K	322_H	1.324	0.97
46_A	58_A	1.324	0.97
45_V	75_G	1.321	0.97
179_K	197_Q	1.320	0.97
43_V	80_A	1.316	0.97
125_N	129_D	1.316	0.97
41_N	82_T	1.290	0.97
131_H	172_K	1.288	0.97
72_A	85_V	1.288	0.97
86_A	308_I	1.283	0.97
224_L	250_A	1.280	0.97
135_T	166_L	1.274	0.97
54_I	308_I	1.274	0.97
202_V	299_W	1.272	0.97
97_I	328_R	1.269	0.96
256_Q	278_E	1.260	0.96
248_A	251_K	1.246	0.96
41_N	80_A	1.242	0.96
114_S	299_W	1.241	0.96
310_E	313_E	1.240	0.96
253_L	277_K	1.223	0.96
30_R	34_K	1.210	0.95
224_L	260_V	1.210	0.95
225_V	261_A	1.209	0.95
161_E	164_D	1.198	0.95
257_R	280_L	1.193	0.95
187_K	231_Q	1.192	0.95
218_Y	280_L	1.191	0.95
297_C	300_M	1.171	0.94
187_K	235_D	1.162	0.94
72_A	99_S	1.161	0.94
134_R	194_L	1.161	0.94
250_A	270_M	1.143	0.94
164_D	189_T	1.133	0.93
31_E	35_R	1.132	0.93
221_A	259_I	1.127	0.93
167_D	191_G	1.125	0.93
92_G	106_M	1.119	0.93
71_M	85_V	1.117	0.93
127_F	174_I	1.105	0.93
179_K	204_D	1.092	0.92
73_R	77_K	1.086	0.92
157_S	244_S	1.085	0.92
134_R	172_K	1.081	0.92
89_R	112_E	1.079	0.92
244_S	248_A	1.075	0.92
146_V	176_A	1.074	0.91
42_A	84_L	1.071	0.91
73_R	339_L	1.063	0.91
118_G	199_A	1.063	0.91
162_L	341_F	1.058	0.91
138_V	176_A	1.058	0.91
215_Q	236_M	1.047	0.90
206_F	295_A	1.042	0.90
299_W	302_M	1.037	0.90
264_R	281_E	1.033	0.90
69_L	73_R	1.032	0.90
134_R	192_D	1.031	0.90
208_T	212_T	1.030	0.90
201_I	299_W	1.028	0.90
128_C	136_V	1.021	0.89
106_M	321_V	1.020	0.89
266_I	270_M	1.018	0.89
224_L	246_L	1.015	0.89
41_N	79_P	1.012	0.89
183_R	186_Q	1.010	0.89
84_L	308_I	1.008	0.89
185_V	193_I	1.003	0.88
206_F	294_C	0.998	0.88
29_Y	306_Q	0.995	0.88
121_V	146_V	0.994	0.88
120_P	123_E	0.991	0.88
164_D	168_S	0.990	0.88
241_G	246_L	0.986	0.88
119_C	146_V	0.982	0.87
135_T	168_S	0.978	0.87
140_A	153_V	0.969	0.87
213_R	216_E	0.963	0.86
324_D	327_L	0.959	0.86
129_D	149_R	0.955	0.86
184_Y	234_V	0.953	0.86
329_E	332_L	0.950	0.86
249_A	258_L	0.949	0.85
121_V	145_A	0.949	0.85
46_A	55_Q	0.934	0.85
50_T	54_I	0.931	0.84
114_S	199_A	0.930	0.84
131_H	134_R	0.922	0.84
327_L	330_R	0.921	0.84
209_Q	213_R	0.916	0.83
52_P	56_Q	0.913	0.83
124_F	176_A	0.913	0.83
206_F	282_A	0.911	0.83
209_Q	212_T	0.908	0.83
96_K	323_V	0.907	0.83
42_A	312_L	0.903	0.83
183_R	231_Q	0.903	0.83
268_Y	272_Q	0.900	0.82
258_L	277_K	0.900	0.82
311_A	318_N	0.897	0.82
133_D	172_K	0.896	0.82
202_V	205_E	0.894	0.82
184_Y	240_V	0.886	0.81
42_A	82_T	0.881	0.81
150_A	334_P	0.879	0.81
109_L	319_H	0.877	0.81
304_G	307_A	0.876	0.81
223_I	261_A	0.874	0.80
103_T	322_H	0.872	0.80
329_E	333_V	0.871	0.80
183_R	187_K	0.867	0.80
70_E	73_R	0.866	0.80
175_W	182_G	0.865	0.80
45_V	71_M	0.863	0.80
259_I	282_A	0.862	0.79
48_Y	269_K	0.860	0.79
142_T	224_L	0.859	0.79
27_A	31_E	0.857	0.79
274_V	277_K	0.854	0.79
137_V	162_L	0.854	0.79
36_L	39_E	0.853	0.79
167_D	171_E	0.852	0.79
43_V	60_E	0.848	0.78
48_Y	241_G	0.845	0.78
164_D	190_G	0.843	0.78
148_A	323_V	0.841	0.78
114_S	201_I	0.841	0.78
274_V	279_L	0.838	0.78
326_R	330_R	0.832	0.77
40_R	312_L	0.826	0.77
214_L	259_I	0.825	0.76
114_S	294_C	0.818	0.76
43_V	78_H	0.817	0.76
137_V	166_L	0.815	0.76
121_V	149_R	0.812	0.75
171_E	192_D	0.811	0.75
99_S	150_A	0.809	0.75
183_R	234_V	0.808	0.75
142_T	199_A	0.806	0.75
269_K	272_Q	0.805	0.75
214_L	280_L	0.804	0.75
307_A	310_E	0.801	0.74
69_L	140_A	0.801	0.74
79_P	82_T	0.801	0.74
157_S	248_A	0.799	0.74
215_Q	223_I	0.798	0.74
115_L	299_W	0.797	0.74
241_G	245_Q	0.796	0.74
52_P	268_Y	0.795	0.74
187_K	234_V	0.795	0.74
50_T	92_G	0.792	0.73
249_A	253_L	0.787	0.73
172_K	194_L	0.785	0.73
333_V	337_R	0.784	0.73
310_E	318_N	0.778	0.72
212_T	215_Q	0.778	0.72
55_Q	268_Y	0.773	0.72
34_K	38_K	0.770	0.71
105_L	315_E	0.769	0.71
159_A	181_L	0.769	0.71
114_S	202_V	0.767	0.71
119_C	196_W	0.767	0.71
208_T	233_I	0.763	0.71
149_R	330_R	0.761	0.70
247_I	266_I	0.757	0.70
105_L	311_A	0.751	0.69
29_Y	305_L	0.751	0.69
136_V	174_I	0.750	0.69
199_A	204_D	0.747	0.69
138_V	334_P	0.747	0.69
270_M	279_L	0.746	0.69
220_D	256_Q	0.746	0.69
261_A	282_A	0.744	0.69
208_T	232_A	0.739	0.68
308_I	311_A	0.739	0.68
275_P	279_L	0.738	0.68
221_A	257_R	0.737	0.68
97_I	331_A	0.736	0.68
201_I	206_F	0.735	0.68
28_Y	31_E	0.735	0.68
76_A	336_N	0.735	0.68
119_C	176_A	0.733	0.68
31_E	216_E	0.732	0.67
306_Q	310_E	0.728	0.67
115_L	201_I	0.726	0.67
56_Q	272_Q	0.724	0.67
70_E	157_S	0.724	0.67
222_A	225_V	0.724	0.67
108_T	302_M	0.721	0.66
124_F	149_R	0.715	0.66
83_L	95_A	0.714	0.66
323_V	327_L	0.714	0.66
224_L	258_L	0.712	0.65
84_L	107_P	0.711	0.65
110_Q	302_M	0.711	0.65
140_A	162_L	0.708	0.65
186_Q	195_C	0.707	0.65
121_V	125_N	0.707	0.65
271_Q	278_E	0.704	0.64
137_V	152_W	0.702	0.64
54_I	303_N	0.700	0.64
48_Y	266_I	0.698	0.64
26_K	53_E	0.693	0.63
202_V	206_F	0.693	0.63
214_L	217_E	0.690	0.63
314_Q	319_H	0.689	0.63
123_E	126_A	0.689	0.63
36_L	313_E	0.689	0.63
118_G	198_G	0.686	0.62
81_S	101_E	0.683	0.62
186_Q	193_I	0.682	0.62
44_M	86_A	0.680	0.62
157_S	246_L	0.680	0.62
45_V	85_V	0.680	0.62
323_V	332_L	0.678	0.62
78_H	140_A	0.677	0.61
246_L	266_I	0.676	0.61
128_C	151_D	0.671	0.61
48_Y	246_L	0.669	0.61
323_V	334_P	0.668	0.60
115_L	199_A	0.667	0.60
210_A	293_S	0.666	0.60
186_Q	192_D	0.665	0.60
152_W	166_L	0.664	0.60
92_G	128_C	0.660	0.59
128_C	149_R	0.660	0.59
171_E	191_G	0.656	0.59
297_C	304_G	0.656	0.59
297_C	303_N	0.654	0.59
108_T	303_N	0.654	0.59
127_F	134_R	0.653	0.59
137_V	154_V	0.649	0.58
190_G	193_I	0.648	0.58
326_R	329_E	0.647	0.58
69_L	157_S	0.645	0.58
202_V	298_P	0.644	0.58
233_I	238_D	0.642	0.57
124_F	128_C	0.642	0.57
99_S	102_K	0.641	0.57
144_A	323_V	0.637	0.57
73_R	245_Q	0.637	0.57
179_K	199_A	0.637	0.57
127_F	131_H	0.637	0.57
162_L	340_D	0.637	0.57
124_F	127_F	0.636	0.57
174_I	194_L	0.634	0.56
327_L	334_P	0.633	0.56
135_T	173_I	0.633	0.56
30_R	56_Q	0.632	0.56
163_I	173_I	0.627	0.56
296_H	299_W	0.626	0.55
300_M	304_G	0.624	0.55
267_F	271_Q	0.623	0.55
298_P	302_M	0.619	0.55
97_I	332_L	0.617	0.54
146_V	196_W	0.612	0.54
121_V	148_A	0.610	0.54
84_L	315_E	0.608	0.53
250_A	258_L	0.607	0.53
84_L	311_A	0.606	0.53
148_A	327_L	0.604	0.53
296_H	301_A	0.598	0.52
315_E	320_E	0.598	0.52
114_S	118_G	0.598	0.52
38_K	256_Q	0.597	0.52
30_R	53_E	0.597	0.52
42_A	105_L	0.596	0.52
50_T	58_A	0.596	0.52
136_V	150_A	0.596	0.52
138_V	153_V	0.594	0.52
124_F	136_V	0.594	0.52
184_Y	195_C	0.591	0.51
246_L	260_V	0.591	0.51
315_E	319_H	0.591	0.51
128_C	174_I	0.589	0.51
133_D	171_E	0.588	0.51
31_E	34_K	0.588	0.51
184_Y	188_Q	0.587	0.51
122_E	126_A	0.586	0.51
211_L	261_A	0.584	0.50
210_A	294_C	0.584	0.50
132_P	172_K	0.582	0.50
120_P	124_F	0.582	0.50
214_L	218_Y	0.577	0.50
309_A	314_Q	0.577	0.50
55_Q	265_G	0.576	0.49
142_T	150_A	0.576	0.49
27_A	56_Q	0.576	0.49
239_A	320_E	0.575	0.49
112_E	115_L	0.575	0.49
123_E	127_F	0.575	0.49
260_V	302_M	0.574	0.49
33_I	309_A	0.574	0.49
135_T	182_G	0.571	0.49
32_K	310_E	0.571	0.49
266_I	269_K	0.570	0.49
294_C	297_C	0.570	0.49
300_M	303_N	0.570	0.49
245_Q	250_A	0.569	0.49
281_E	295_A	0.568	0.49
37_L	44_M	0.564	0.48
50_T	106_M	0.561	0.48
174_I	198_G	0.561	0.48
278_E	281_E	0.561	0.48
154_V	158_I	0.561	0.48
135_T	191_G	0.559	0.47
28_Y	310_E	0.559	0.47
89_R	117_L	0.559	0.47
124_F	146_V	0.557	0.47
97_I	323_V	0.551	0.46
184_Y	187_K	0.549	0.46
150_A	176_A	0.549	0.46
69_L	94_T	0.546	0.46
170_G	191_G	0.546	0.46
106_M	109_L	0.546	0.46
57_L	296_H	0.545	0.46
89_R	116_D	0.544	0.46
89_R	323_V	0.541	0.45
218_Y	278_E	0.539	0.45
168_S	171_E	0.538	0.45
294_C	298_P	0.538	0.45
46_A	54_I	0.537	0.45
222_A	258_L	0.536	0.45
134_R	174_I	0.533	0.44
89_R	106_M	0.533	0.44
297_C	301_A	0.533	0.44
267_F	281_E	0.532	0.44
48_Y	182_G	0.528	0.44
51_D	301_A	0.528	0.44
97_I	330_R	0.527	0.44
297_C	306_Q	0.526	0.44
207_K	210_A	0.526	0.44
33_I	311_A	0.525	0.43
114_S	206_F	0.524	0.43
204_D	230_P	0.524	0.43
50_T	112_E	0.523	0.43
29_Y	32_K	0.522	0.43
205_E	298_P	0.521	0.43
294_C	299_W	0.520	0.43
250_A	260_V	0.518	0.43
131_H	174_I	0.518	0.43
58_A	61_T	0.518	0.43
101_E	122_E	0.517	0.42
160_V	163_I	0.517	0.42
333_V	340_D	0.516	0.42
69_L	339_L	0.516	0.42
46_A	86_A	0.515	0.42
28_Y	32_K	0.514	0.42
130_A	216_E	0.514	0.42
215_Q	259_I	0.513	0.42
77_K	252_T	0.512	0.42
152_W	341_F	0.512	0.42
172_K	191_G	0.510	0.42
255_H	277_K	0.510	0.42
140_A	303_N	0.509	0.42
140_A	341_F	0.509	0.42
241_G	269_K	0.508	0.41
105_L	319_H	0.508	0.41
43_V	82_T	0.506	0.41
143_S	146_V	0.505	0.41
265_G	301_A	0.504	0.41
51_D	54_I	0.502	0.41
118_G	299_W	0.502	0.41
154_V	224_L	0.502	0.41
166_L	186_Q	0.501	0.41
308_I	336_N	0.500	0.40

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
1wzuA	1	0.781	100	0.166	Contact Map
4p3xA	1	0.8732	100	0.176	Contact Map
2ekcA	1	0.6369	80.6	0.968	Contact Map
2q5cA	2	0.5072	70.9	0.971	Contact Map
1tqxA	2	0.5648	49.9	0.974	Contact Map
3navA	2	0.6686	48.3	0.975	Contact Map
4ht3A	1	0.683	48.2	0.975	Contact Map
1rd5A	6	0.6744	40.6	0.976	Contact Map
3ig4A	4	0.5101	31.3	0.977	Contact Map
1wa3A	3	0.5504	27.4	0.978	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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