NADA - BACSU - GREMLIN Contacts

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NADA - Quinolinate synthase A

UniProt:	Q9KWZ1	Sequences: MSILDVIKQSNDMMPESYKELSRKDMETRVAAIKKKFGSRLFIPGHHYQKDEVIQFADQTGDSLQLAQVAEKNKEADYIVFCGVHFMAETADMLTSEQQTVVLPDMRAGCSMADMADMQQTNRAWKKLQHIFGDTIIPLTYVNSTAEIKAFVGKHGGATVTSSNAKKVLEWAFTQKKRILFLPDQHLGRNTAYDLGIALEDMAVWDPMKDELVAESGHTNVKVILWKGHCSVHEKFTTKNIHDMRERDPDIQIIVHPECSHEVVTLSDDNGSTKYIIDTINQAPAGSKWAIGTEMNLVQRIIHEHPDKQIESLNPDMCPCLTMNRIDLPHLLWSLEQIEKGEPSGVIKVPKAIQEDALLALNRMLSIT	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	368 (301)
Sequences:	2307 (1178)
Seq/√Len:	67.9

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
40_R	77_D	4.955	1.00
29_R	336_E	4.106	1.00
362_N	366_S	3.075	1.00
269_D	275_Y	2.957	1.00
288_K	309_Q	2.929	1.00
32_A	36_K	2.828	1.00
351_K	354_Q	2.792	1.00
248_D	288_K	2.739	1.00
278_D	282_Q	2.735	1.00
250_D	288_K	2.724	1.00
255_V	264_V	2.636	1.00
178_R	222_K	2.518	1.00
122_N	151_F	2.515	1.00
349_V	354_Q	2.481	1.00
55_Q	299_Q	2.459	1.00
90_T	361_L	2.384	1.00
354_Q	358_L	2.384	1.00
351_K	355_E	2.374	1.00
78_Y	343_P	2.352	1.00
105_D	330_H	2.308	1.00
69_V	72_K	2.282	1.00
29_R	32_A	2.280	1.00
188_G	225_L	2.276	1.00
100_T	343_P	2.275	1.00
26_M	332_L	2.263	1.00
281_N	304_E	2.243	1.00
255_V	267_S	2.240	1.00
100_T	346_V	2.228	1.00
39_S	343_P	2.127	1.00
332_L	336_E	2.120	1.00
140_T	144_S	2.117	1.00
358_L	362_N	2.108	1.00
283_A	289_W	2.042	1.00
242_H	266_L	2.036	1.00
78_Y	102_V	1.953	1.00
252_Q	279_T	1.912	1.00
300_R	304_E	1.904	1.00
29_R	332_L	1.904	1.00
65_Q	274_K	1.902	1.00
65_Q	69_V	1.897	1.00
109_G	114_D	1.877	1.00
166_K	191_T	1.857	1.00
31_A	34_K	1.848	1.00
281_N	305_H	1.795	1.00
245_R	268_D	1.760	1.00
276_I	301_I	1.759	1.00
264_V	270_N	1.749	1.00
140_T	156_G	1.740	1.00
238_T	266_L	1.734	1.00
59_Q	65_Q	1.717	1.00
337_Q	344_S	1.701	1.00
334_S	345_G	1.644	0.99
127_K	130_H	1.639	0.99
39_S	78_Y	1.638	0.99
287_S	307_D	1.636	0.99
71_E	95_T	1.627	0.99
242_H	246_E	1.615	0.99
166_K	170_E	1.607	0.99
252_Q	285_A	1.584	0.99
363_R	366_S	1.575	0.99
81_F	91_A	1.566	0.99
280_I	310_I	1.559	0.99
166_K	194_D	1.533	0.99
92_D	346_V	1.523	0.99
59_Q	69_V	1.495	0.99
252_Q	283_A	1.486	0.99
158_A	171_W	1.474	0.99
78_Y	100_T	1.468	0.99
356_D	359_L	1.457	0.98
280_I	305_H	1.448	0.98
39_S	100_T	1.448	0.98
80_V	102_V	1.417	0.98
261_H	265_T	1.405	0.98
112_M	115_M	1.398	0.98
40_R	78_Y	1.396	0.98
333_W	337_Q	1.394	0.98
171_W	367_I	1.380	0.98
169_L	191_T	1.379	0.98
287_S	309_Q	1.377	0.98
283_A	308_K	1.364	0.98
82_C	331_L	1.358	0.98
241_I	253_I	1.355	0.98
92_D	348_K	1.342	0.97
44_P	70_A	1.335	0.97
127_K	131_I	1.329	0.97
42_F	76_A	1.313	0.97
93_M	146_A	1.304	0.97
67_A	81_F	1.301	0.97
45_G	57_A	1.299	0.97
254_I	280_I	1.297	0.97
136_I	172_A	1.286	0.97
185_Q	227_K	1.279	0.97
132_F	178_R	1.276	0.96
243_D	247_R	1.269	0.96
232_V	322_T	1.268	0.96
111_S	322_T	1.268	0.96
255_V	292_G	1.260	0.96
27_E	31_A	1.249	0.96
231_S	322_T	1.233	0.96
333_W	336_E	1.223	0.95
53_V	331_L	1.217	0.95
193_Y	261_H	1.216	0.95
93_M	354_Q	1.210	0.95
167_K	170_E	1.208	0.95
248_D	311_E	1.205	0.95
67_A	95_T	1.201	0.95
254_I	291_I	1.187	0.95
278_D	281_N	1.186	0.95
88_A	103_L	1.178	0.94
193_Y	265_T	1.167	0.94
251_I	290_A	1.154	0.94
280_I	301_I	1.153	0.94
40_R	75_E	1.152	0.94
322_T	325_R	1.152	0.94
288_K	311_E	1.150	0.94
80_V	331_L	1.143	0.94
236_F	318_C	1.131	0.93
122_N	130_H	1.118	0.93
66_L	81_F	1.110	0.93
274_K	278_D	1.109	0.92
102_V	334_S	1.106	0.92
68_Q	72_K	1.099	0.92
68_Q	365_L	1.098	0.92
135_T	178_R	1.095	0.92
135_T	222_K	1.093	0.92
136_I	177_K	1.086	0.92
85_H	109_G	1.082	0.92
136_I	176_K	1.081	0.91
163_S	274_K	1.081	0.91
185_Q	234_E	1.078	0.91
40_R	76_A	1.075	0.91
41_L	80_V	1.074	0.91
170_E	197_I	1.072	0.91
245_R	266_L	1.069	0.91
132_F	224_I	1.061	0.91
148_I	182_L	1.051	0.90
168_V	367_I	1.049	0.90
115_M	229_H	1.047	0.90
24_K	28_T	1.045	0.90
36_K	39_S	1.045	0.90
30_V	332_L	1.037	0.90
103_L	347_I	1.034	0.90
170_E	195_L	1.030	0.89
327_D	330_H	1.026	0.89
271_G	276_I	1.022	0.89
140_T	182_L	1.022	0.89
64_L	68_Q	1.021	0.89
189_R	192_A	1.021	0.89
297_L	301_I	1.018	0.89
289_W	308_K	1.011	0.89
295_M	312_S	1.008	0.88
26_M	329_P	0.997	0.88
142_V	159_T	0.992	0.88
350_P	353_I	0.992	0.88
117_D	120_Q	0.991	0.88
238_T	242_H	0.985	0.87
116_A	148_I	0.980	0.87
254_I	276_I	0.980	0.87
26_M	328_L	0.975	0.87
290_A	313_L	0.973	0.87
279_T	289_W	0.967	0.86
118_M	148_I	0.967	0.86
45_G	54_I	0.966	0.86
191_T	223_V	0.964	0.86
111_S	229_H	0.964	0.86
190_N	264_V	0.962	0.86
355_E	358_L	0.961	0.86
156_G	360_A	0.960	0.86
236_F	313_L	0.957	0.86
51_D	55_Q	0.954	0.85
106_M	345_G	0.949	0.85
118_M	147_E	0.947	0.85
353_I	356_D	0.946	0.85
139_L	168_V	0.945	0.85
41_L	78_Y	0.941	0.85
135_T	224_I	0.927	0.84
299_Q	303_H	0.926	0.84
121_T	182_L	0.926	0.84
144_S	254_I	0.916	0.83
243_D	246_E	0.914	0.83
49_Q	53_V	0.912	0.83
92_D	349_V	0.905	0.82
129_Q	137_I	0.904	0.82
65_Q	68_Q	0.899	0.82
134_D	178_R	0.899	0.82
105_D	325_R	0.897	0.82
189_R	193_Y	0.896	0.82
189_R	261_H	0.891	0.81
333_W	344_S	0.891	0.81
253_I	292_G	0.884	0.81
232_V	235_K	0.884	0.81
239_K	242_H	0.882	0.81
190_N	270_N	0.879	0.80
239_K	243_D	0.879	0.80
352_A	356_D	0.879	0.80
118_M	151_F	0.878	0.80
31_A	35_K	0.874	0.80
27_E	55_Q	0.873	0.80
292_G	313_L	0.872	0.80
75_E	78_Y	0.867	0.79
28_T	32_A	0.865	0.79
355_E	359_L	0.858	0.79
47_H	271_G	0.856	0.79
44_P	66_L	0.852	0.78
150_A	349_V	0.852	0.78
174_T	197_I	0.851	0.78
120_Q	127_K	0.848	0.78
305_H	308_K	0.848	0.78
244_M	311_E	0.847	0.78
111_S	231_S	0.847	0.78
181_F	188_G	0.846	0.78
33_I	36_K	0.846	0.78
47_H	300_R	0.844	0.78
112_M	322_T	0.843	0.78
95_T	156_G	0.836	0.77
100_T	348_K	0.833	0.77
144_S	229_H	0.833	0.77
51_D	299_Q	0.831	0.77
245_R	253_I	0.830	0.76
54_I	299_Q	0.830	0.76
42_F	59_Q	0.829	0.76
359_L	363_R	0.829	0.76
189_R	264_V	0.828	0.76
64_L	142_V	0.827	0.76
105_D	326_I	0.826	0.76
305_H	310_I	0.826	0.76
42_F	74_K	0.825	0.76
244_M	290_A	0.821	0.76
39_S	335_L	0.819	0.75
130_H	151_F	0.815	0.75
49_Q	88_A	0.814	0.75
193_Y	264_V	0.809	0.75
111_S	232_V	0.809	0.75
337_Q	343_P	0.804	0.74
139_L	172_A	0.800	0.74
128_L	180_L	0.799	0.74
140_T	360_A	0.794	0.73
238_T	263_V	0.792	0.73
165_A	187_L	0.788	0.73
242_H	245_R	0.785	0.72
53_V	326_I	0.785	0.72
163_S	278_D	0.782	0.72
300_R	303_H	0.781	0.72
178_R	224_I	0.778	0.72
116_A	226_W	0.775	0.71
271_G	275_Y	0.773	0.71
277_I	297_L	0.768	0.71
177_K	222_K	0.766	0.70
132_F	135_T	0.764	0.70
151_F	356_D	0.759	0.70
302_I	309_Q	0.757	0.70
71_E	362_N	0.753	0.69
231_S	236_F	0.752	0.69
252_Q	255_V	0.750	0.69
137_I	180_L	0.750	0.69
254_I	289_W	0.750	0.69
301_I	310_I	0.749	0.69
112_M	231_S	0.746	0.68
244_M	247_R	0.744	0.68
65_Q	163_S	0.744	0.68
80_V	104_P	0.743	0.68
229_H	234_E	0.743	0.68
250_D	287_S	0.739	0.68
192_A	223_V	0.738	0.68
276_I	297_L	0.737	0.68
41_L	335_L	0.736	0.67
279_T	283_A	0.735	0.67
235_K	321_L	0.731	0.67
47_H	297_L	0.731	0.67
232_V	236_F	0.728	0.67
93_M	357_A	0.727	0.66
176_K	197_I	0.722	0.66
334_S	344_S	0.721	0.66
238_T	262_E	0.719	0.66
163_S	276_I	0.719	0.66
180_L	224_I	0.717	0.65
349_V	353_I	0.716	0.65
116_A	182_L	0.715	0.65
176_K	179_I	0.709	0.65
55_Q	303_H	0.706	0.64
118_M	122_N	0.705	0.64
337_Q	345_G	0.701	0.64
79_I	91_A	0.700	0.64
158_A	172_A	0.698	0.63
251_I	288_K	0.694	0.63
115_M	228_G	0.692	0.63
64_L	163_S	0.690	0.62
43_I	82_C	0.684	0.62
353_I	360_A	0.683	0.62
133_G	180_L	0.682	0.62
196_G	223_V	0.677	0.61
34_K	58_D	0.677	0.61
112_M	229_H	0.676	0.61
168_V	366_S	0.673	0.60
139_L	158_A	0.672	0.60
133_G	178_R	0.670	0.60
28_T	246_E	0.670	0.60
68_Q	275_Y	0.667	0.60
107_R	325_R	0.666	0.60
349_V	360_A	0.663	0.59
330_H	333_W	0.662	0.59
139_L	160_V	0.658	0.59
25_D	28_T	0.657	0.59
146_A	349_V	0.656	0.59
142_V	168_V	0.655	0.58
170_E	174_T	0.655	0.58
28_T	31_A	0.653	0.58
349_V	358_L	0.652	0.58
80_V	334_S	0.650	0.58
95_T	99_Q	0.650	0.58
44_P	81_F	0.646	0.57
169_L	179_I	0.643	0.57
331_L	334_S	0.636	0.56
232_V	321_L	0.636	0.56
263_V	268_D	0.636	0.56
50_K	324_N	0.635	0.56
111_S	236_F	0.635	0.56
190_N	225_L	0.634	0.56
144_S	156_G	0.631	0.56
47_H	276_I	0.630	0.55
241_I	292_G	0.630	0.55
298_V	302_I	0.630	0.55
111_S	115_M	0.629	0.55
352_A	355_E	0.627	0.55
192_A	225_L	0.627	0.55
128_L	135_T	0.626	0.55
185_Q	229_H	0.626	0.55
49_Q	57_A	0.626	0.55
34_K	43_I	0.624	0.55
93_M	358_L	0.624	0.55
102_V	343_P	0.623	0.55
121_T	128_L	0.623	0.55
296_N	324_N	0.621	0.54
190_N	194_D	0.621	0.54
97_E	100_T	0.616	0.54
103_L	326_I	0.616	0.54
319_P	324_N	0.616	0.54
140_T	159_T	0.612	0.53
132_F	176_K	0.608	0.53
192_A	222_K	0.608	0.53
117_D	121_T	0.607	0.53
108_A	326_I	0.606	0.53
118_M	150_A	0.603	0.52
128_L	223_V	0.601	0.52
49_Q	103_L	0.600	0.52
306_P	310_I	0.600	0.52
148_I	226_W	0.599	0.52
54_I	296_N	0.598	0.52
41_L	102_V	0.597	0.52
82_C	326_I	0.597	0.52
158_A	367_I	0.592	0.51
248_D	309_Q	0.591	0.51
276_I	291_I	0.591	0.51
109_G	112_M	0.591	0.51
22_S	25_D	0.590	0.51
244_M	248_D	0.589	0.51
121_T	151_F	0.587	0.50
29_R	333_W	0.586	0.50
150_A	353_I	0.583	0.50
160_V	164_N	0.582	0.50
177_K	197_I	0.580	0.50
130_H	351_K	0.580	0.50
285_A	308_K	0.579	0.49
27_E	328_L	0.579	0.49
136_I	179_I	0.578	0.49
74_K	142_V	0.577	0.49
190_N	193_Y	0.576	0.49
121_T	129_Q	0.576	0.49
175_Q	197_I	0.576	0.49
271_G	318_C	0.574	0.49
35_K	287_S	0.574	0.49
85_H	113_A	0.571	0.48
119_Q	127_K	0.570	0.48
85_H	349_V	0.570	0.48
289_W	310_I	0.569	0.48
115_M	322_T	0.567	0.48
135_T	180_L	0.564	0.48
156_G	182_L	0.564	0.48
25_D	29_R	0.559	0.47
129_Q	157_G	0.557	0.47
275_Y	280_I	0.556	0.47
314_N	317_M	0.554	0.46
297_L	300_R	0.554	0.46
150_A	357_A	0.554	0.46
45_G	53_V	0.554	0.46
45_G	82_C	0.552	0.46
85_H	114_D	0.550	0.46
180_L	228_G	0.549	0.46
291_I	301_I	0.549	0.46
129_Q	180_L	0.548	0.46
229_H	322_T	0.547	0.46
280_I	289_W	0.547	0.46
121_T	148_I	0.547	0.46
93_M	349_V	0.545	0.45
23_R	52_E	0.545	0.45
298_V	312_S	0.544	0.45
71_E	74_K	0.544	0.45
111_S	318_C	0.542	0.45
49_Q	109_G	0.542	0.45
160_V	179_I	0.542	0.45
72_K	282_Q	0.542	0.45
252_Q	289_W	0.539	0.45
93_M	356_D	0.537	0.44
314_N	326_I	0.536	0.44
317_M	321_L	0.536	0.44
142_V	367_I	0.536	0.44
172_A	192_A	0.534	0.44
291_I	325_R	0.533	0.44
232_V	318_C	0.533	0.44
284_P	308_K	0.532	0.44
343_P	346_V	0.532	0.44
97_E	119_Q	0.528	0.43
116_A	121_T	0.528	0.43
332_L	337_Q	0.526	0.43
42_F	78_Y	0.526	0.43
237_T	240_N	0.526	0.43
169_L	172_A	0.524	0.43
103_L	106_M	0.523	0.43
239_K	352_A	0.519	0.42
85_H	103_L	0.517	0.42
104_P	335_L	0.517	0.42
31_A	43_I	0.517	0.42
329_P	333_W	0.516	0.42
64_L	365_L	0.515	0.42
64_L	90_T	0.515	0.42
57_A	60_T	0.514	0.42
234_E	260_S	0.513	0.42
359_L	366_S	0.513	0.42
166_K	169_L	0.513	0.42
120_Q	226_W	0.513	0.42
326_I	330_H	0.512	0.42
314_N	319_P	0.512	0.42
319_P	322_T	0.511	0.41
136_I	188_G	0.511	0.41
83_G	187_L	0.510	0.41
51_D	302_I	0.510	0.41
47_H	116_A	0.509	0.41
67_A	71_E	0.508	0.41
121_T	226_W	0.508	0.41
88_A	129_Q	0.508	0.41
170_E	194_D	0.508	0.41
102_V	345_G	0.506	0.41
47_H	188_G	0.506	0.41
336_E	344_S	0.506	0.41
185_Q	189_R	0.505	0.41
172_A	179_I	0.504	0.41
42_F	134_D	0.503	0.40
324_N	328_L	0.503	0.40
92_D	101_V	0.501	0.40
113_A	145_T	0.500	0.40
52_E	55_Q	0.500	0.40
329_P	332_L	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	0.7364	100	0.21	Contact Map
4p3xA	1	0.8207	100	0.221	Contact Map
2q5cA	2	0.4918	74.5	0.971	Contact Map
3gnnA	2	0.663	45	0.976	Contact Map
3v7eA	1	0.2201	44.1	0.976	Contact Map
3cg6A	3	0.3179	43.7	0.976	Contact Map
4w23M	1	0.288	38.5	0.977	Contact Map
3mw8A	1	0.5353	37.6	0.977	Contact Map
2gaiA	1	0.3668	30.2	0.978	Contact Map
2ekcA	1	0.6332	28	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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