PNCB - ECOLI - GREMLIN Contacts

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PNCB - Nicotinate phosphoribosyltransferase

UniProt:	P18133	Sequences: MTQFASPVLHSLLDTDAYKLHMQQAVFHHYYDVHVAAEFRCRGDDLLGIYADAIREQVQAMQHLRLQDDEYQWLSALPFFKADYLNWLREFRFNPEQVTVSNDNGKLDIRLSGPWREVILWEVPLLAVISEMVHRYRSPQADVAQALDTLESKLVDFSALTAGLDMSRFHLMDFGTRRRFSREVQETIVKRLQQESWFVGTSNYDLARRLSLTPMGTQAHEWFQAHQQISPDLANSQRAALAAWLEEYPDQLGIALTDCITMDAFLRDFGVEFASRYQGLRHDSGDPVEWGEKAIAHYEKLGIDPQSKTLVFSDNLDLRKAVELYRHFSSRVQLSFGIGTRLTCDIPQVKPLNIVIKLVECNGKPVAKLSDSPGKTICHDKAFVRALRKAFDLPHIKKAS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG10742
Length:	400 (348)
Sequences:	2817 (1417)
Seq/√Len:	75.9

ECOLI - PNCB
BACSU - PNCB
HALSA - Q9HMH3
SULSO - Q980F6

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
280_L	294_A	4.908	1.00
207_A	214_P	4.861	1.00
75_S	82_A	4.101	1.00
228_Q	239_A	3.971	1.00
68_D	89_R	3.674	1.00
28_H	81_K	3.187	1.00
57_Q	125_L	3.050	1.00
95_P	113_G	2.850	1.00
39_F	125_L	2.780	1.00
25_A	222_W	2.746	1.00
113_G	118_V	2.722	1.00
67_Q	70_E	2.701	1.00
261_T	268_D	2.655	1.00
257_T	294_A	2.615	1.00
200_G	215_M	2.589	1.00
68_D	72_Q	2.566	1.00
70_E	208_R	2.523	1.00
261_T	265_F	2.498	1.00
176_T	185_Q	2.449	1.00
238_R	242_A	2.443	1.00
205_D	208_R	2.420	1.00
293_K	296_A	2.418	1.00
257_T	280_L	2.342	1.00
34_H	112_S	2.312	1.00
61_M	97_Q	2.301	1.00
254_I	279_G	2.271	1.00
94_N	117_E	2.178	1.00
296_A	300_K	2.164	1.00
24_Q	81_K	2.112	1.00
86_N	89_R	2.112	1.00
61_M	121_W	2.087	1.00
257_T	297_H	2.058	1.00
39_F	57_Q	2.045	1.00
48_G	155_V	2.028	1.00
39_F	129_I	2.015	1.00
265_F	268_D	2.002	1.00
325_Y	336_F	1.972	1.00
311_V	335_S	1.908	1.00
270_G	274_A	1.903	1.00
321_A	338_I	1.899	1.00
320_K	323_E	1.872	1.00
36_A	112_S	1.857	1.00
257_T	262_M	1.845	1.00
82_A	86_N	1.843	1.00
158_S	199_V	1.827	1.00
48_G	159_A	1.803	1.00
158_S	171_L	1.797	1.00
57_Q	109_I	1.790	1.00
23_Q	84_Y	1.781	1.00
242_A	246_E	1.775	1.00
172_M	215_M	1.767	1.00
263_D	293_K	1.764	1.00
26_V	119_I	1.760	1.00
71_Y	85_L	1.759	1.00
87_W	116_R	1.757	1.00
169_F	336_F	1.754	1.00
291_G	312_F	1.725	1.00
194_Q	213_T	1.720	1.00
265_F	269_F	1.707	1.00
269_F	277_Y	1.704	1.00
17_A	77_L	1.701	1.00
169_F	325_Y	1.695	1.00
271_V	276_R	1.688	1.00
114_P	117_E	1.678	1.00
69_D	208_R	1.673	1.00
34_H	362_N	1.664	1.00
226_H	243_A	1.662	1.00
158_S	163_G	1.648	1.00
111_L	356_I	1.640	1.00
295_I	299_E	1.639	1.00
194_Q	212_L	1.638	1.00
77_L	214_P	1.636	1.00
189_V	206_L	1.632	1.00
360_E	363_G	1.601	1.00
205_D	209_R	1.601	1.00
170_H	199_V	1.590	0.99
29_H	243_A	1.582	0.99
23_Q	64_L	1.580	0.99
189_V	343_T	1.556	0.99
24_Q	28_H	1.550	0.99
51_A	100_V	1.547	0.99
60_A	124_P	1.543	0.99
109_I	129_I	1.541	0.99
172_M	200_G	1.530	0.99
41_C	44_D	1.509	0.99
171_L	198_F	1.501	0.99
309_T	334_L	1.494	0.99
261_T	264_A	1.493	0.99
80_F	85_L	1.459	0.99
98_V	112_S	1.453	0.99
270_G	275_S	1.419	0.99
29_H	246_E	1.416	0.99
288_V	327_H	1.408	0.99
100_V	384_V	1.396	0.99
112_S	381_K	1.396	0.99
64_L	91_F	1.385	0.99
324_L	331_R	1.380	0.99
24_Q	248_Y	1.376	0.98
111_L	125_L	1.349	0.98
279_G	308_K	1.339	0.98
215_M	335_S	1.333	0.98
266_L	297_H	1.321	0.98
266_L	294_A	1.318	0.98
294_A	297_H	1.317	0.98
35_V	115_W	1.306	0.98
239_A	243_A	1.300	0.98
95_P	117_E	1.287	0.98
264_A	267_R	1.278	0.98
30_Y	33_V	1.277	0.98
317_D	341_R	1.272	0.97
96_E	112_S	1.271	0.97
66_L	71_Y	1.265	0.97
262_M	265_F	1.261	0.97
264_A	268_D	1.249	0.97
322_V	326_R	1.242	0.97
17_A	214_P	1.242	0.97
17_A	204_Y	1.225	0.97
282_H	290_W	1.212	0.97
271_V	303_I	1.212	0.97
176_T	203_N	1.211	0.97
28_H	247_E	1.196	0.96
75_S	85_L	1.195	0.96
22_M	219_A	1.194	0.96
182_R	205_D	1.182	0.96
28_H	83_D	1.176	0.96
243_A	246_E	1.175	0.96
133_V	137_R	1.168	0.96
157_F	171_L	1.166	0.96
73_W	214_P	1.155	0.96
65_R	92_R	1.154	0.95
72_Q	75_S	1.149	0.95
297_H	301_L	1.148	0.95
33_V	362_N	1.139	0.95
23_Q	116_R	1.130	0.95
49_I	135_R	1.130	0.95
26_V	115_W	1.128	0.95
315_N	353_N	1.127	0.95
115_W	225_A	1.122	0.95
28_H	246_E	1.112	0.94
312_F	333_Q	1.111	0.94
57_Q	124_P	1.105	0.94
51_A	54_I	1.105	0.94
71_Y	89_R	1.098	0.94
55_R	59_Q	1.095	0.94
36_A	360_E	1.095	0.94
218_Q	223_F	1.095	0.94
340_T	351_P	1.090	0.94
20_L	74_L	1.082	0.94
263_D	297_H	1.081	0.94
303_I	308_K	1.080	0.94
86_N	90_E	1.071	0.93
44_D	49_I	1.068	0.93
282_H	312_F	1.068	0.93
24_Q	247_E	1.063	0.93
287_P	333_Q	1.062	0.93
21_H	80_F	1.062	0.93
14_D	176_T	1.058	0.93
46_L	345_D	1.053	0.93
72_Q	76_A	1.048	0.93
295_I	305_P	1.048	0.93
101_S	104_N	1.043	0.92
75_S	89_R	1.043	0.92
288_V	324_L	1.040	0.92
262_M	266_L	1.039	0.92
97_Q	121_W	1.038	0.92
38_E	382_A	1.036	0.92
73_W	76_A	1.033	0.92
130_S	354_I	1.028	0.92
91_F	117_E	1.026	0.92
304_D	308_K	1.021	0.92
98_V	110_R	1.020	0.91
225_A	361_C	1.017	0.91
49_I	352_L	1.015	0.91
292_E	327_H	1.008	0.91
156_D	318_L	1.007	0.91
238_R	267_R	1.005	0.91
154_L	198_F	1.005	0.91
262_M	268_D	1.002	0.91
193_Q	211_S	0.993	0.90
275_S	278_Q	0.986	0.90
279_G	309_T	0.982	0.90
60_A	64_L	0.980	0.90
94_N	113_G	0.979	0.90
61_M	124_P	0.976	0.90
262_M	294_A	0.973	0.89
158_S	162_A	0.972	0.89
257_T	266_L	0.971	0.89
29_H	247_E	0.966	0.89
38_E	110_R	0.962	0.89
172_M	335_S	0.962	0.89
341_R	346_I	0.961	0.89
245_L	268_D	0.956	0.89
261_T	266_L	0.952	0.88
262_M	297_H	0.951	0.88
56_E	59_Q	0.941	0.88
272_E	275_S	0.934	0.87
30_Y	226_H	0.926	0.87
347_P	350_K	0.925	0.87
295_I	334_L	0.925	0.87
297_H	300_K	0.920	0.87
250_D	275_S	0.919	0.87
71_Y	75_S	0.918	0.87
110_R	381_K	0.914	0.86
175_G	179_R	0.912	0.86
315_N	340_T	0.901	0.85
126_L	130_S	0.896	0.85
188_I	191_R	0.896	0.85
345_D	350_K	0.895	0.85
134_H	192_L	0.892	0.85
254_I	308_K	0.891	0.85
61_M	95_P	0.889	0.85
206_L	212_L	0.888	0.85
204_Y	214_P	0.885	0.84
271_V	305_P	0.878	0.84
59_Q	63_H	0.877	0.84
171_L	321_A	0.877	0.84
295_I	332_V	0.876	0.84
280_L	297_H	0.875	0.84
121_W	125_L	0.863	0.83
304_D	307_S	0.861	0.83
73_W	77_L	0.857	0.82
389_K	392_D	0.853	0.82
277_Y	308_K	0.849	0.82
41_C	49_I	0.848	0.82
276_R	307_S	0.847	0.82
270_G	273_F	0.843	0.81
30_Y	225_A	0.837	0.81
249_P	273_F	0.828	0.80
254_I	311_V	0.825	0.80
57_Q	129_I	0.824	0.80
227_Q	366_V	0.818	0.79
288_V	292_E	0.817	0.79
38_E	359_V	0.816	0.79
34_H	114_P	0.813	0.79
245_L	253_G	0.813	0.79
124_P	128_V	0.813	0.79
238_R	268_D	0.809	0.79
41_C	354_I	0.806	0.78
100_V	104_N	0.805	0.78
35_V	361_C	0.804	0.78
25_A	247_E	0.801	0.78
24_Q	85_L	0.798	0.78
86_N	363_G	0.798	0.78
237_Q	287_P	0.797	0.78
20_L	80_F	0.795	0.78
15_T	20_L	0.795	0.78
171_L	199_V	0.794	0.77
74_L	85_L	0.792	0.77
73_W	207_A	0.790	0.77
25_A	248_Y	0.788	0.77
128_V	182_R	0.787	0.77
60_A	121_W	0.785	0.77
123_V	176_T	0.784	0.77
250_D	276_R	0.784	0.77
33_V	363_G	0.784	0.77
157_F	338_I	0.783	0.76
193_Q	342_L	0.783	0.76
57_Q	121_W	0.781	0.76
53_A	136_Y	0.781	0.76
76_A	211_S	0.779	0.76
239_A	242_A	0.779	0.76
175_G	343_T	0.778	0.76
312_F	324_L	0.777	0.76
215_M	311_V	0.776	0.76
123_V	185_Q	0.776	0.76
179_R	343_T	0.770	0.75
238_R	271_V	0.766	0.75
73_W	208_R	0.766	0.75
267_R	297_H	0.762	0.74
30_Y	243_A	0.762	0.74
54_I	99_T	0.761	0.74
257_T	263_D	0.759	0.74
278_Q	308_K	0.755	0.74
253_G	277_Y	0.754	0.74
266_L	280_L	0.752	0.73
91_F	114_P	0.751	0.73
27_F	84_Y	0.751	0.73
245_L	272_E	0.747	0.73
27_F	31_Y	0.746	0.73
163_G	169_F	0.746	0.73
92_R	117_E	0.745	0.73
289_E	327_H	0.745	0.73
222_W	226_H	0.743	0.73
314_D	320_K	0.742	0.72
172_M	311_V	0.741	0.72
262_M	280_L	0.740	0.72
250_D	278_Q	0.737	0.72
242_A	273_F	0.736	0.72
135_R	354_I	0.734	0.72
282_H	333_Q	0.732	0.71
382_A	385_R	0.732	0.71
171_L	342_L	0.731	0.71
242_A	272_E	0.731	0.71
39_F	109_I	0.730	0.71
99_T	109_I	0.729	0.71
237_Q	264_A	0.725	0.71
23_Q	120_L	0.725	0.71
31_Y	116_R	0.725	0.71
263_D	267_R	0.721	0.70
37_A	119_I	0.720	0.70
315_N	351_P	0.717	0.70
39_F	354_I	0.716	0.70
77_L	207_A	0.715	0.70
289_E	293_K	0.710	0.69
111_L	118_V	0.709	0.69
263_D	268_D	0.707	0.69
299_E	332_V	0.706	0.69
115_W	119_I	0.699	0.68
246_E	273_F	0.699	0.68
89_R	200_G	0.697	0.68
263_D	266_L	0.696	0.68
292_E	331_R	0.695	0.68
274_A	277_Y	0.691	0.67
56_E	134_H	0.688	0.67
176_T	182_R	0.687	0.67
201_T	212_L	0.686	0.67
238_R	264_A	0.683	0.66
58_V	129_I	0.682	0.66
102_N	191_R	0.681	0.66
320_K	354_I	0.680	0.66
128_V	188_I	0.680	0.66
224_Q	315_N	0.679	0.66
299_E	331_R	0.678	0.66
52_D	195_E	0.678	0.66
242_A	267_R	0.677	0.65
227_Q	363_G	0.677	0.65
257_T	282_H	0.673	0.65
319_R	323_E	0.673	0.65
106_K	384_V	0.672	0.65
40_R	105_G	0.671	0.65
190_K	193_Q	0.671	0.65
160_L	163_G	0.669	0.65
201_T	207_A	0.669	0.65
11_S	14_D	0.667	0.64
271_V	277_Y	0.663	0.64
151_E	191_R	0.660	0.64
365_P	380_D	0.657	0.63
180_F	184_V	0.657	0.63
29_H	226_H	0.657	0.63
19_K	176_T	0.653	0.63
367_A	370_S	0.652	0.63
242_A	275_S	0.652	0.63
115_W	361_C	0.650	0.62
162_A	171_L	0.648	0.62
69_D	72_Q	0.646	0.62
251_Q	254_I	0.645	0.62
67_Q	72_Q	0.643	0.62
169_F	334_L	0.640	0.61
126_L	342_L	0.638	0.61
173_D	198_F	0.638	0.61
227_Q	239_A	0.637	0.61
268_D	272_E	0.636	0.61
388_R	392_D	0.636	0.61
27_F	87_W	0.635	0.61
97_Q	102_N	0.634	0.60
239_A	246_E	0.634	0.60
57_Q	61_M	0.634	0.60
158_S	198_F	0.634	0.60
192_L	195_E	0.633	0.60
151_E	156_D	0.633	0.60
17_A	73_W	0.633	0.60
173_D	212_L	0.632	0.60
152_S	196_S	0.631	0.60
93_F	113_G	0.631	0.60
135_R	352_L	0.628	0.60
17_A	21_H	0.627	0.60
74_L	207_A	0.626	0.59
202_S	340_T	0.626	0.59
293_K	300_K	0.624	0.59
202_S	207_A	0.623	0.59
324_L	333_Q	0.620	0.59
97_Q	111_L	0.619	0.59
62_Q	72_Q	0.618	0.58
300_K	307_S	0.615	0.58
93_F	117_E	0.615	0.58
185_Q	265_F	0.614	0.58
289_E	292_E	0.614	0.58
288_V	291_G	0.612	0.58
276_R	305_P	0.612	0.58
351_P	354_I	0.611	0.58
13_L	16_D	0.609	0.57
119_I	221_E	0.608	0.57
291_G	332_V	0.608	0.57
169_F	351_P	0.606	0.57
371_D	374_G	0.605	0.57
133_V	352_L	0.605	0.57
291_G	327_H	0.604	0.57
160_L	332_V	0.601	0.56
292_E	296_A	0.600	0.56
52_D	151_E	0.599	0.56
251_Q	278_Q	0.599	0.56
101_S	108_D	0.598	0.56
156_D	319_R	0.598	0.56
133_V	179_R	0.598	0.56
61_M	244_W	0.595	0.56
41_C	314_D	0.595	0.56
367_A	376_T	0.594	0.56
219_A	286_D	0.594	0.56
153_K	345_D	0.594	0.56
266_L	301_L	0.593	0.55
26_V	35_V	0.591	0.55
92_R	95_P	0.591	0.55
289_E	320_K	0.590	0.55
189_V	212_L	0.589	0.55
19_K	221_E	0.589	0.55
184_V	343_T	0.589	0.55
270_G	277_Y	0.589	0.55
40_R	377_I	0.588	0.55
21_H	224_Q	0.587	0.55
340_T	347_P	0.586	0.55
385_R	389_K	0.586	0.55
36_A	110_R	0.586	0.55
176_T	202_S	0.584	0.54
207_A	213_T	0.584	0.54
133_V	180_F	0.583	0.54
313_S	369_L	0.582	0.54
288_V	323_E	0.582	0.54
26_V	37_A	0.581	0.54
277_Y	303_I	0.580	0.54
129_I	320_K	0.579	0.54
309_T	335_S	0.578	0.54
157_F	246_E	0.576	0.53
125_L	356_I	0.576	0.53
187_T	190_K	0.575	0.53
157_F	160_L	0.575	0.53
223_F	241_L	0.574	0.53
249_P	276_R	0.573	0.53
117_E	372_S	0.572	0.53
353_N	374_G	0.569	0.52
289_E	323_E	0.568	0.52
203_N	340_T	0.568	0.52
15_T	202_S	0.568	0.52
50_Y	53_A	0.568	0.52
33_V	361_C	0.566	0.52
31_Y	83_D	0.565	0.52
103_D	197_W	0.564	0.52
37_A	118_V	0.564	0.52
187_T	205_D	0.562	0.51
87_W	90_E	0.562	0.51
194_Q	207_A	0.562	0.51
188_I	210_L	0.560	0.51
35_V	225_A	0.560	0.51
99_T	102_N	0.560	0.51
311_V	314_D	0.559	0.51
336_F	370_S	0.559	0.51
35_V	362_N	0.556	0.51
15_T	19_K	0.556	0.51
254_I	278_Q	0.555	0.51
342_L	355_V	0.553	0.50
369_L	376_T	0.552	0.50
151_E	155_V	0.552	0.50
188_I	343_T	0.552	0.50
367_A	371_D	0.551	0.50
173_D	203_N	0.550	0.50
130_S	136_Y	0.549	0.50
276_R	304_D	0.548	0.50
152_S	156_D	0.547	0.50
97_Q	103_D	0.546	0.49
62_Q	92_R	0.544	0.49
124_P	218_Q	0.544	0.49
137_R	342_L	0.543	0.49
51_A	101_S	0.542	0.49
103_D	107_L	0.542	0.49
107_L	299_E	0.542	0.49
30_Y	173_D	0.541	0.49
25_A	226_H	0.539	0.49
30_Y	115_W	0.539	0.49
27_F	81_K	0.538	0.48
380_D	384_V	0.538	0.48
238_R	272_E	0.535	0.48
57_Q	60_A	0.535	0.48
24_Q	27_F	0.532	0.48
152_S	155_V	0.532	0.48
53_A	123_V	0.532	0.48
20_L	24_Q	0.531	0.48
262_M	282_H	0.530	0.47
315_N	341_R	0.530	0.47
36_A	381_K	0.530	0.47
126_L	316_L	0.529	0.47
57_Q	128_V	0.528	0.47
228_Q	287_P	0.528	0.47
97_Q	117_E	0.527	0.47
153_K	317_D	0.521	0.46
161_T	171_L	0.520	0.46
280_L	310_L	0.519	0.46
382_A	386_A	0.519	0.46
367_A	378_C	0.518	0.46
315_N	347_P	0.518	0.46
24_Q	314_D	0.518	0.46
254_I	309_T	0.517	0.46
17_A	79_F	0.517	0.46
38_E	377_I	0.517	0.46
169_F	321_A	0.516	0.46
69_D	209_R	0.516	0.46
15_T	204_Y	0.514	0.45
99_T	112_S	0.513	0.45
191_R	195_E	0.512	0.45
97_Q	109_I	0.511	0.45
184_V	189_V	0.510	0.45
286_D	289_E	0.510	0.45
94_N	296_A	0.509	0.45
126_L	354_I	0.509	0.45
227_Q	364_K	0.509	0.45
69_D	82_A	0.508	0.45
305_P	308_K	0.508	0.45
154_L	158_S	0.507	0.45
23_Q	125_L	0.507	0.45
26_V	225_A	0.506	0.44
11_S	208_R	0.505	0.44
218_Q	244_W	0.505	0.44
72_Q	82_A	0.505	0.44
271_V	275_S	0.505	0.44
19_K	123_V	0.504	0.44
282_H	287_P	0.503	0.44
292_E	378_C	0.503	0.44
323_E	326_R	0.502	0.44
224_Q	251_Q	0.502	0.44
276_R	303_I	0.501	0.44
23_Q	87_W	0.501	0.44
60_A	63_H	0.501	0.44
53_A	135_R	0.500	0.44
227_Q	369_L	0.500	0.44

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
3os4A	1	0.98	100	0.166	Contact Map
4hl7A	4	0.9925	100	0.183	Contact Map
1yirA	1	0.965	100	0.186	Contact Map
1vlpA	1	0.9725	100	0.197	Contact Map
1ybeA	2	0.9525	100	0.209	Contact Map
2im5A	1	0.94	100	0.212	Contact Map
4yubA	2	0.87	100	0.246	Contact Map
4lvfA	2	0.91	100	0.313	Contact Map
4mzyA	2	0.9025	100	0.327	Contact Map
2i14A	5	0.8075	100	0.481	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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