NADA - HALSA - GREMLIN Contacts

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NADA - Quinolinate synthase A

UniProt:	Q9HNZ1	Sequences: MDTSSFETDLSLFKYDDLEALPDEYRELTPTARTERIEAARAELGDDVVVLGHNYQRREIVEHADFVGDSYQLSKEAANADADYVIFGGVTFMAESADIITDDSQSVILPSMEASCPMAGMAEALQVDAAWADITAAAPDETIIPITYMNSYADLKAFCAEQGGLVCTSSNAHRAFEWAFERGDKVLFLPDKHLGENTAHRLGMADATVEWDPWAAEGKTAEEVADADIVLWDGYCQVHERFTPEHVAEVRADHEDANVVVHPECRREVVEAADVVGSTATITETVADADPGETWAIGTEIHLANHLQRWHPEVNVVPLCGDACMDCNAMRQIDPNYLAWVLEELVEGRERNVIEVDSEEAELAQVGLDRMLEL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	374 (303)
Sequences:	2293 (1196)
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
47_D	83_D	5.086	1.00
36_R	343_E	3.808	1.00
369_D	373_E	3.196	1.00
294_T	315_N	3.127	1.00
275_V	281_T	2.980	1.00
39_A	45_G	2.835	1.00
358_S	361_A	2.810	1.00
254_H	294_T	2.807	1.00
256_D	294_T	2.761	1.00
284_E	288_D	2.744	1.00
261_V	270_V	2.682	1.00
185_K	228_D	2.582	1.00
356_V	361_A	2.503	1.00
62_E	305_N	2.494	1.00
361_A	365_Q	2.465	1.00
358_S	362_E	2.455	1.00
96_S	368_L	2.443	1.00
261_V	273_A	2.321	1.00
33_R	339_A	2.317	1.00
111_S	337_Y	2.297	1.00
36_R	39_A	2.296	1.00
287_A	310_W	2.287	1.00
195_G	231_L	2.264	1.00
128_D	162_Q	2.251	1.00
106_S	353_V	2.224	1.00
365_Q	369_D	2.201	1.00
76_E	79_N	2.192	1.00
147_T	151_S	2.142	1.00
248_A	272_A	2.091	1.00
289_A	295_W	2.045	1.00
173_H	198_T	2.043	1.00
36_R	339_A	2.032	1.00
84_Y	108_I	2.009	1.00
72_Q	76_E	1.947	1.00
258_N	285_T	1.943	1.00
306_H	310_W	1.925	1.00
115_S	120_G	1.910	1.00
72_Q	280_A	1.895	1.00
287_A	311_H	1.885	1.00
38_E	41_R	1.851	1.00
66_F	72_Q	1.847	1.00
251_R	274_D	1.845	1.00
258_N	292_G	1.831	1.00
282_I	307_L	1.829	1.00
147_T	163_G	1.786	1.00
270_V	276_V	1.771	1.00
244_P	272_A	1.762	1.00
133_D	136_A	1.731	1.00
78_A	101_T	1.690	1.00
293_E	313_E	1.671	0.99
339_A	343_E	1.671	0.99
286_V	316_V	1.649	0.99
341_V	352_N	1.630	0.99
173_H	177_E	1.624	0.99
248_A	252_A	1.611	0.99
87_F	97_A	1.597	0.99
258_N	289_A	1.584	0.99
46_D	84_Y	1.570	0.99
84_Y	106_S	1.565	0.99
370_R	373_E	1.553	0.99
98_D	353_V	1.549	0.99
173_H	201_R	1.539	0.99
286_V	311_H	1.511	0.99
46_D	106_S	1.505	0.99
165_L	178_W	1.494	0.99
363_L	366_V	1.483	0.99
142_T	184_D	1.461	0.99
133_D	137_A	1.460	0.99
118_M	121_M	1.453	0.99
66_F	76_E	1.431	0.98
293_E	315_N	1.422	0.98
247_V	259_V	1.419	0.98
47_D	84_Y	1.407	0.98
267_R	271_E	1.397	0.98
86_I	108_I	1.393	0.98
88_G	338_L	1.392	0.98
51_L	77_A	1.381	0.98
176_F	198_T	1.380	0.98
192_K	233_D	1.348	0.98
260_V	286_V	1.345	0.98
98_D	355_E	1.342	0.97
52_G	64_A	1.341	0.97
178_W	374_L	1.339	0.97
138_A	185_K	1.327	0.97
249_E	253_D	1.326	0.97
99_I	153_A	1.322	0.97
74_S	87_F	1.314	0.97
142_T	179_A	1.305	0.97
289_A	314_V	1.304	0.97
329_A	332_Q	1.298	0.97
117_P	329_A	1.286	0.97
238_V	329_A	1.277	0.97
99_I	361_A	1.276	0.97
49_V	82_A	1.273	0.97
74_S	101_T	1.272	0.97
289_A	292_G	1.271	0.97
34_T	38_E	1.263	0.96
200_H	267_R	1.249	0.96
284_E	287_A	1.244	0.96
294_T	317_V	1.241	0.96
60_I	338_L	1.237	0.96
237_Q	329_A	1.215	0.95
200_H	271_E	1.207	0.95
174_R	177_E	1.202	0.95
340_W	344_E	1.193	0.95
254_H	317_V	1.192	0.95
261_V	298_G	1.186	0.95
260_V	297_I	1.178	0.95
257_A	296_A	1.178	0.95
142_T	183_G	1.163	0.94
94_A	109_L	1.159	0.94
141_E	185_K	1.150	0.94
106_S	345_L	1.143	0.94
128_D	136_A	1.138	0.94
31_T	35_E	1.137	0.94
47_D	81_D	1.134	0.93
75_K	372_L	1.131	0.93
46_D	345_L	1.131	0.93
91_T	115_S	1.129	0.93
73_L	87_F	1.127	0.93
286_V	307_L	1.123	0.93
196_E	199_A	1.123	0.93
86_I	338_L	1.115	0.93
280_A	284_E	1.115	0.93
108_I	341_V	1.100	0.92
170_S	280_A	1.100	0.92
192_K	240_E	1.099	0.92
251_R	272_A	1.097	0.92
177_E	202_L	1.095	0.92
175_A	374_L	1.094	0.92
141_E	230_V	1.082	0.92
84_Y	345_L	1.081	0.92
303_L	307_L	1.077	0.92
138_A	230_V	1.070	0.91
47_D	82_A	1.063	0.91
277_G	282_I	1.059	0.91
33_R	335_P	1.053	0.91
48_V	86_I	1.051	0.91
121_M	235_Y	1.048	0.90
155_L	189_L	1.040	0.90
334_D	337_Y	1.038	0.90
71_Y	75_K	1.037	0.90
141_E	228_D	1.036	0.90
242_F	319_L	1.028	0.90
33_R	336_N	1.027	0.90
147_T	189_L	1.023	0.89
109_L	354_I	1.022	0.89
301_I	318_P	1.019	0.89
357_D	360_E	1.007	0.89
198_T	229_I	1.005	0.89
244_P	248_A	1.003	0.88
123_E	126_Q	1.002	0.88
362_E	365_Q	0.995	0.88
295_W	314_V	0.994	0.88
124_A	155_L	0.990	0.88
122_A	155_L	0.988	0.88
149_M	166_V	0.979	0.87
260_V	282_I	0.978	0.87
52_G	61_V	0.977	0.87
296_A	319_L	0.976	0.87
37_I	339_A	0.974	0.87
124_A	154_D	0.969	0.87
196_E	200_H	0.969	0.87
56_Q	60_I	0.967	0.87
197_N	270_V	0.966	0.86
48_V	84_Y	0.965	0.86
360_E	363_L	0.964	0.86
151_S	260_V	0.959	0.86
285_T	295_W	0.959	0.86
117_P	235_Y	0.956	0.86
112_M	352_N	0.954	0.86
163_G	367_G	0.952	0.86
140_D	185_K	0.949	0.85
58_R	62_E	0.949	0.85
245_E	249_E	0.946	0.85
146_I	175_A	0.944	0.85
72_Q	75_K	0.937	0.85
111_S	332_Q	0.933	0.85
98_D	356_V	0.929	0.84
362_E	366_V	0.929	0.84
196_E	267_R	0.925	0.84
249_E	252_A	0.925	0.84
126_Q	133_D	0.921	0.84
238_V	241_R	0.920	0.84
250_V	317_V	0.916	0.83
127_V	189_L	0.914	0.83
245_E	248_A	0.910	0.83
135_T	143_I	0.909	0.83
359_E	363_L	0.903	0.83
75_K	79_N	0.898	0.82
35_E	39_A	0.897	0.82
197_N	276_V	0.894	0.82
340_W	343_E	0.892	0.82
51_L	73_L	0.889	0.82
162_Q	363_L	0.888	0.81
259_V	298_G	0.884	0.81
54_N	306_H	0.880	0.81
188_F	195_G	0.874	0.80
305_N	309_R	0.874	0.80
196_E	270_V	0.874	0.80
181_E	227_A	0.872	0.80
366_V	370_R	0.869	0.80
157_A	356_V	0.864	0.80
38_E	42_A	0.864	0.80
54_N	277_G	0.862	0.79
117_P	324_C	0.861	0.79
49_V	80_A	0.858	0.79
34_T	62_E	0.856	0.79
146_I	179_A	0.854	0.79
117_P	237_Q	0.853	0.79
250_V	296_A	0.851	0.79
58_R	305_N	0.849	0.78
81_D	84_Y	0.846	0.78
118_M	329_A	0.844	0.78
49_V	66_F	0.844	0.78
311_H	316_V	0.837	0.77
151_S	235_Y	0.834	0.77
61_V	305_N	0.833	0.77
101_T	163_G	0.831	0.77
298_G	319_L	0.829	0.77
256_D	293_E	0.828	0.77
200_H	270_V	0.825	0.76
106_S	355_E	0.822	0.76
117_P	238_V	0.819	0.76
311_H	314_V	0.817	0.76
56_Q	94_A	0.814	0.75
134_I	187_L	0.809	0.75
71_Y	149_M	0.808	0.75
147_T	367_G	0.805	0.75
111_S	333_I	0.804	0.75
251_R	259_V	0.799	0.74
356_V	360_E	0.797	0.74
170_S	282_I	0.797	0.74
283_T	303_L	0.792	0.73
170_S	284_E	0.788	0.73
244_P	269_V	0.782	0.73
277_G	281_T	0.777	0.72
306_H	309_R	0.777	0.72
185_K	230_V	0.775	0.72
78_A	369_D	0.766	0.71
250_V	253_D	0.766	0.71
182_R	227_A	0.765	0.71
187_L	230_V	0.764	0.71
184_D	228_D	0.761	0.70
248_A	251_R	0.761	0.70
122_A	232_W	0.761	0.70
118_M	237_Q	0.761	0.70
40_A	45_G	0.760	0.70
172_A	194_L	0.759	0.70
54_N	303_L	0.757	0.70
307_L	316_V	0.756	0.70
72_Q	170_S	0.756	0.70
86_I	110_P	0.752	0.70
46_D	342_L	0.751	0.69
285_T	289_A	0.750	0.69
241_R	328_N	0.743	0.69
108_I	345_L	0.741	0.68
138_A	141_E	0.738	0.68
99_I	364_A	0.738	0.68
199_A	229_I	0.737	0.68
282_I	303_L	0.737	0.68
237_Q	242_F	0.736	0.68
308_Q	315_N	0.736	0.68
235_Y	240_E	0.735	0.68
258_N	261_V	0.735	0.68
260_V	295_W	0.734	0.68
121_M	234_G	0.733	0.68
60_I	333_I	0.731	0.67
122_A	189_L	0.730	0.67
257_A	294_T	0.728	0.67
183_G	186_V	0.728	0.67
48_V	342_L	0.728	0.67
35_E	38_E	0.724	0.67
244_P	268_E	0.723	0.67
124_A	128_D	0.722	0.66
50_V	88_G	0.722	0.66
318_P	323_A	0.719	0.66
356_V	365_Q	0.712	0.65
203_G	227_A	0.712	0.65
142_T	186_V	0.712	0.65
71_Y	170_S	0.711	0.65
238_V	242_F	0.711	0.65
165_L	179_A	0.711	0.65
139_P	185_K	0.710	0.65
62_E	309_R	0.710	0.65
32_A	35_E	0.709	0.65
118_M	235_Y	0.707	0.65
54_N	282_I	0.701	0.64
326_D	331_R	0.694	0.63
134_I	141_E	0.693	0.63
146_I	165_L	0.692	0.63
85_V	97_A	0.692	0.63
356_V	367_G	0.691	0.63
136_A	162_Q	0.680	0.62
42_A	293_E	0.679	0.62
35_E	252_A	0.679	0.62
51_L	87_F	0.675	0.61
338_L	341_V	0.674	0.61
359_E	362_E	0.673	0.61
330_M	333_I	0.671	0.61
269_V	274_D	0.670	0.61
337_Y	340_W	0.669	0.61
177_E	181_E	0.667	0.60
203_G	229_I	0.665	0.60
143_I	187_L	0.661	0.60
113_E	332_Q	0.661	0.60
199_A	231_L	0.661	0.60
192_K	235_Y	0.661	0.60
146_I	167_C	0.655	0.59
41_R	65_D	0.655	0.59
149_M	175_A	0.652	0.59
344_E	352_N	0.651	0.58
153_A	356_V	0.647	0.58
101_T	105_Q	0.647	0.58
304_A	308_Q	0.646	0.58
75_K	281_T	0.646	0.58
86_I	341_V	0.645	0.58
197_N	231_L	0.644	0.58
176_F	186_V	0.642	0.57
56_Q	64_A	0.642	0.57
139_P	187_L	0.638	0.57
323_A	333_I	0.638	0.57
360_E	367_G	0.638	0.57
117_P	121_M	0.633	0.56
41_R	50_V	0.630	0.56
141_E	187_L	0.629	0.56
175_A	373_E	0.628	0.56
29_T	32_A	0.627	0.56
155_L	232_W	0.626	0.55
242_F	323_A	0.626	0.55
312_P	316_V	0.624	0.55
123_E	127_V	0.624	0.55
61_V	302_H	0.623	0.55
302_H	331_R	0.622	0.55
48_V	108_I	0.620	0.55
281_T	286_V	0.619	0.55
117_P	242_F	0.615	0.54
238_V	328_N	0.614	0.54
151_S	163_G	0.612	0.54
124_A	157_A	0.611	0.54
344_E	351_R	0.611	0.54
32_A	36_R	0.610	0.54
64_A	67_V	0.606	0.53
127_V	135_T	0.606	0.53
345_L	353_V	0.605	0.53
103_D	106_S	0.605	0.53
247_V	298_G	0.604	0.53
197_N	201_R	0.603	0.53
147_T	166_V	0.603	0.53
127_V	134_I	0.602	0.53
250_V	254_H	0.600	0.52
324_C	329_A	0.600	0.52
340_W	346_V	0.599	0.52
254_H	315_N	0.598	0.52
167_C	171_N	0.597	0.52
197_N	200_H	0.597	0.52
109_L	333_I	0.596	0.52
199_A	228_D	0.595	0.52
157_A	360_E	0.594	0.52
57_R	331_R	0.594	0.52
91_T	119_A	0.593	0.52
56_Q	109_L	0.591	0.51
99_I	365_Q	0.591	0.51
297_I	307_L	0.591	0.51
177_E	203_G	0.590	0.51
52_G	60_I	0.589	0.51
91_T	356_V	0.587	0.51
134_I	138_A	0.585	0.51
115_S	118_M	0.585	0.51
114_A	333_I	0.584	0.50
125_L	133_D	0.583	0.50
36_R	340_W	0.581	0.50
52_G	88_G	0.581	0.50
134_I	229_I	0.580	0.50
99_I	356_V	0.579	0.50
345_L	351_R	0.579	0.50
80_A	149_M	0.579	0.50
184_D	227_A	0.578	0.50
135_T	162_Q	0.577	0.50
290_D	293_E	0.577	0.50
121_M	329_A	0.576	0.49
235_Y	329_A	0.572	0.49
187_L	234_G	0.571	0.49
66_F	283_T	0.571	0.49
122_A	127_V	0.571	0.49
34_T	59_E	0.570	0.49
286_V	295_W	0.570	0.49
49_V	84_Y	0.570	0.49
331_R	335_P	0.568	0.49
282_I	297_I	0.567	0.48
163_G	189_L	0.567	0.48
99_I	363_L	0.567	0.48
175_A	198_T	0.566	0.48
366_V	373_E	0.564	0.48
42_A	45_G	0.560	0.48
228_D	232_W	0.560	0.48
30_P	59_E	0.558	0.47
109_L	112_M	0.554	0.47
157_A	364_A	0.552	0.47
127_V	155_L	0.551	0.46
173_H	176_F	0.550	0.46
303_L	306_H	0.549	0.46
91_T	120_G	0.548	0.46
167_C	186_V	0.544	0.46
304_A	318_P	0.542	0.45
61_V	67_V	0.541	0.45
176_F	179_A	0.538	0.45
135_T	187_L	0.536	0.45
290_D	314_V	0.536	0.45
192_K	196_E	0.536	0.45
91_T	109_L	0.535	0.45
136_A	358_S	0.534	0.44
33_R	36_R	0.533	0.44
138_A	183_G	0.533	0.44
245_E	359_E	0.533	0.44
240_E	266_R	0.532	0.44
56_Q	115_S	0.532	0.44
179_A	199_A	0.531	0.44
30_P	34_T	0.531	0.44
333_I	337_Y	0.528	0.44
340_W	351_R	0.528	0.44
335_P	338_L	0.528	0.44
341_V	345_L	0.525	0.43
79_N	335_P	0.524	0.43
336_N	340_W	0.523	0.43
258_N	295_W	0.523	0.43
39_A	252_A	0.523	0.43
126_Q	232_W	0.522	0.43
295_W	316_V	0.522	0.43
177_E	201_R	0.517	0.42
54_N	122_A	0.515	0.42
362_E	369_D	0.513	0.42
110_P	232_W	0.512	0.42
320_C	333_I	0.512	0.42
54_N	94_A	0.510	0.42
88_G	333_I	0.509	0.42
108_I	352_N	0.509	0.42
39_A	346_V	0.508	0.41
151_S	367_G	0.508	0.41
259_V	269_V	0.508	0.41
128_D	135_T	0.507	0.41
51_L	94_A	0.506	0.41
54_N	195_G	0.505	0.41
277_G	306_H	0.505	0.41
329_A	333_I	0.505	0.41
167_C	260_V	0.504	0.41
103_D	125_L	0.503	0.41
79_N	288_D	0.502	0.41
258_N	274_D	0.501	0.41
98_D	107_V	0.501	0.41
243_T	246_H	0.501	0.41
320_C	323_A	0.501	0.41
251_R	296_A	0.501	0.41
74_S	77_A	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	0.7246	100	0.225	Contact Map
4p3xA	1	0.8048	100	0.235	Contact Map
2q5cA	2	0.4866	72.9	0.972	Contact Map
3pg7A	1	0.6417	64.6	0.973	Contact Map
3cg6A	3	0.3102	61.4	0.974	Contact Map
2ekcA	1	0.6257	41.8	0.977	Contact Map
3mw8A	1	0.5027	34.1	0.978	Contact Map
3fxaA	4	0.492	30	0.978	Contact Map
4ht3A	1	0.6497	27.5	0.979	Contact Map
3v7eA	1	0.2166	26.9	0.979	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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