PTAS - BACSU - GREMLIN Contacts

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PTAS - Phosphate acetyltransferase

UniProt:	P39646	Sequences: MADLFSTVQEKVAGKDVKIVFPEGLDERILEAVSKLAGNKVLNPIVIGNENEIQAKAKELNLTLGGVKIYDPHTYEGMEDLVQAFVERRKGKATEEQARKALLDENYFGTMLVYKGLADGLVSGAAHSTADTVRPALQIIKTKEGVKKTSGVFIMARGEEQYVFADCAINIAPDSQDLAEIAIESANTAKMFDIEPRVAMLSFSTKGSAKSDETEKVADAVKIAKEKAPELTLDGEFQFDAAFVPSVAEKKAPDSEIKGDANVFVFPSLEAGNIGYKIAQRLGNFEAVGPILQGLNMPVNDLSRGCNAEDVYNLALITAAQAL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	323 (319)
Sequences:	3027 (1651)
Seq/√Len:	92.4

ECOLI - PTA EUTD MAO2
BACSU - PTAS PTB
HALSA - Q9HPI2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
224_A	233_L	4.144	1.00
81_L	117_L	4.025	1.00
19_I	120_G	3.710	1.00
174_D	177_D	3.693	1.00
219_D	222_K	3.530	1.00
50_E	54_Q	3.201	1.00
102_L	111_M	2.979	1.00
81_L	112_L	2.792	1.00
18_K	43_N	2.782	1.00
37_A	67_V	2.608	1.00
83_Q	95_E	2.582	1.00
36_L	315_A	2.549	1.00
222_K	226_E	2.527	1.00
45_I	118_A	2.492	1.00
87_E	90_K	2.455	1.00
35_K	312_Y	2.304	1.00
16_D	43_N	2.294	1.00
21_F	315_A	2.241	1.00
18_K	45_I	2.238	1.00
175_S	219_D	2.235	1.00
113_V	118_A	2.190	1.00
49_N	71_D	2.167	1.00
165_A	265_V	2.141	1.00
176_Q	223_I	2.104	1.00
183_I	228_A	2.043	1.00
77_G	117_L	2.034	1.00
84_A	115_K	2.031	1.00
84_A	114_Y	2.024	1.00
197_R	260_D	2.021	1.00
172_A	216_K	2.008	1.00
201_L	274_I	1.986	1.00
225_K	233_L	1.961	1.00
77_G	80_D	1.954	1.00
79_E	99_R	1.936	1.00
120_G	318_T	1.887	1.00
232_T	256_E	1.868	1.00
112_L	117_L	1.846	1.00
187_N	228_A	1.845	1.00
25_L	52_E	1.832	1.00
80_D	115_K	1.813	1.00
200_M	221_V	1.809	1.00
164_F	279_A	1.807	1.00
176_Q	219_D	1.799	1.00
179_A	223_I	1.746	1.00
86_V	90_K	1.729	1.00
34_S	38_G	1.721	1.00
133_V	169_I	1.713	1.00
45_I	68_K	1.700	1.00
36_L	42_L	1.691	1.00
81_L	115_K	1.686	1.00
203_F	211_S	1.675	1.00
84_A	87_E	1.675	1.00
245_P	249_E	1.667	1.00
180_E	227_K	1.657	1.00
109_G	121_L	1.648	1.00
85_F	101_A	1.624	1.00
84_A	111_M	1.624	1.00
172_A	213_E	1.617	1.00
140_I	299_V	1.613	1.00
27_E	56_K	1.602	1.00
183_I	227_K	1.598	1.00
95_E	99_R	1.593	1.00
275_G	278_I	1.590	1.00
215_E	218_A	1.589	1.00
88_R	114_Y	1.588	1.00
27_E	60_L	1.570	1.00
56_K	60_L	1.570	1.00
18_K	68_K	1.546	1.00
123_S	132_T	1.539	1.00
225_K	256_E	1.536	1.00
244_V	281_R	1.515	1.00
82_V	86_V	1.499	1.00
27_E	31_E	1.474	1.00
80_D	117_L	1.459	1.00
48_G	53_I	1.452	1.00
271_A	274_I	1.451	1.00
223_I	227_K	1.451	1.00
34_S	62_L	1.427	0.99
85_F	138_Q	1.415	0.99
43_N	68_K	1.406	0.99
224_A	231_L	1.398	0.99
200_M	224_A	1.389	0.99
122_V	314_L	1.381	0.99
97_Q	100_K	1.380	0.99
79_E	83_Q	1.376	0.99
172_A	212_D	1.366	0.99
82_V	99_R	1.365	0.99
77_G	81_L	1.351	0.99
24_G	46_V	1.351	0.99
64_L	67_V	1.349	0.99
300_N	318_T	1.348	0.99
173_P	181_I	1.348	0.99
73_H	103_L	1.329	0.99
183_I	224_A	1.327	0.99
50_E	71_D	1.327	0.99
56_K	59_E	1.324	0.99
175_S	221_V	1.323	0.99
57_A	64_L	1.323	0.99
114_Y	297_M	1.317	0.99
78_M	82_V	1.310	0.99
20_V	113_V	1.304	0.99
148_K	177_D	1.302	0.99
16_D	319_A	1.296	0.99
157_R	285_F	1.294	0.99
143_K	187_N	1.280	0.99
200_M	233_L	1.271	0.99
239_F	264_F	1.270	0.99
182_A	200_M	1.268	0.99
9_Q	316_L	1.263	0.99
271_A	275_G	1.261	0.99
268_S	271_A	1.260	0.99
243_F	264_F	1.244	0.98
75_Y	108_F	1.242	0.98
239_F	278_I	1.238	0.98
47_I	70_Y	1.236	0.98
50_E	74_T	1.230	0.98
178_L	217_V	1.228	0.98
164_F	266_F	1.219	0.98
116_G	297_M	1.211	0.98
16_D	40_K	1.207	0.98
54_Q	58_K	1.200	0.98
106_N	123_S	1.197	0.98
7_T	11_K	1.195	0.98
136_A	299_V	1.187	0.98
10_E	13_A	1.181	0.98
279_A	283_G	1.178	0.98
31_E	308_A	1.177	0.98
20_V	112_L	1.166	0.98
152_V	188_T	1.154	0.98
234_D	256_E	1.147	0.97
264_F	278_I	1.134	0.97
215_E	219_D	1.130	0.97
188_T	293_Q	1.123	0.97
241_A	247_V	1.121	0.97
197_R	232_T	1.116	0.97
187_N	190_K	1.111	0.97
30_L	62_L	1.108	0.97
186_A	231_L	1.097	0.97
221_V	225_K	1.090	0.96
85_F	102_L	1.089	0.96
206_K	237_F	1.089	0.96
189_A	194_I	1.087	0.96
26_D	126_A	1.077	0.96
94_T	97_Q	1.076	0.96
176_Q	227_K	1.071	0.96
78_M	103_L	1.070	0.96
234_D	255_S	1.068	0.96
86_V	95_E	1.067	0.96
153_F	167_C	1.065	0.96
288_V	313_N	1.062	0.96
157_R	160_E	1.062	0.96
35_K	309_E	1.059	0.96
239_F	243_F	1.057	0.96
234_D	237_F	1.054	0.96
49_N	73_H	1.044	0.96
163_V	189_A	1.042	0.95
203_F	270_E	1.036	0.95
36_L	41_V	1.034	0.95
123_S	127_H	1.033	0.95
49_N	52_E	1.033	0.95
223_I	226_E	1.031	0.95
228_A	231_L	1.016	0.95
165_A	185_S	1.014	0.95
55_A	59_E	1.010	0.95
57_A	62_L	1.009	0.95
136_A	295_L	1.007	0.95
212_D	215_E	1.005	0.94
218_A	222_K	1.004	0.94
20_V	118_A	1.000	0.94
190_K	195_E	1.000	0.94
146_V	184_E	0.998	0.94
42_L	315_A	0.994	0.94
248_A	258_K	0.992	0.94
9_Q	39_N	0.991	0.94
83_Q	87_E	0.988	0.94
211_S	214_T	0.986	0.94
111_M	115_K	0.976	0.94
232_T	258_K	0.970	0.93
210_K	215_E	0.962	0.93
302_L	311_V	0.961	0.93
207_G	236_E	0.956	0.93
82_V	95_E	0.947	0.93
71_D	74_T	0.946	0.92
190_K	196_P	0.945	0.92
178_L	181_I	0.943	0.92
152_V	163_V	0.940	0.92
237_F	252_A	0.939	0.92
19_I	315_A	0.938	0.92
186_A	198_V	0.936	0.92
17_V	119_D	0.934	0.92
151_G	292_L	0.932	0.92
222_K	225_K	0.932	0.92
246_S	250_K	0.929	0.92
4_L	154_I	0.920	0.91
209_A	214_T	0.915	0.91
199_A	261_A	0.911	0.91
149_T	295_L	0.909	0.91
206_K	252_A	0.905	0.91
135_P	141_K	0.902	0.91
24_G	30_L	0.901	0.91
34_S	67_V	0.899	0.90
147_K	176_Q	0.895	0.90
126_A	250_K	0.895	0.90
35_K	38_G	0.892	0.90
53_I	69_I	0.889	0.90
30_L	56_K	0.888	0.90
38_G	63_T	0.882	0.90
248_A	254_D	0.881	0.90
114_Y	139_I	0.880	0.89
257_I	260_D	0.878	0.89
147_K	180_E	0.875	0.89
155_M	164_F	0.875	0.89
140_I	296_N	0.873	0.89
35_K	39_N	0.871	0.89
31_E	62_L	0.871	0.89
178_L	220_A	0.867	0.89
148_K	181_I	0.865	0.89
78_M	99_R	0.864	0.89
21_F	122_V	0.859	0.88
171_I	211_S	0.858	0.88
51_N	55_A	0.858	0.88
141_K	296_N	0.858	0.88
179_A	224_A	0.857	0.88
17_V	322_A	0.850	0.88
175_S	216_K	0.847	0.88
28_R	125_A	0.844	0.87
105_E	127_H	0.843	0.87
104_D	131_D	0.841	0.87
152_V	165_A	0.838	0.87
200_M	217_V	0.836	0.87
49_N	53_I	0.836	0.87
29_I	311_V	0.827	0.86
232_T	257_I	0.823	0.86
276_Y	287_A	0.823	0.86
255_S	258_K	0.823	0.86
278_I	283_G	0.817	0.86
26_D	125_A	0.812	0.85
151_G	167_C	0.808	0.85
148_K	170_N	0.803	0.85
134_R	138_Q	0.795	0.84
312_Y	316_L	0.795	0.84
150_S	293_Q	0.793	0.84
203_F	209_A	0.793	0.84
51_N	54_Q	0.791	0.84
137_L	149_T	0.789	0.84
140_I	295_L	0.789	0.84
21_F	33_V	0.789	0.84
249_E	254_D	0.787	0.84
155_M	287_A	0.787	0.84
78_M	102_L	0.785	0.83
109_G	299_V	0.782	0.83
30_L	34_S	0.774	0.83
70_Y	75_Y	0.774	0.83
106_N	121_L	0.773	0.82
47_I	109_G	0.771	0.82
86_V	91_G	0.770	0.82
163_V	185_S	0.768	0.82
84_A	88_R	0.766	0.82
267_P	274_I	0.766	0.82
143_K	296_N	0.763	0.82
286_E	313_N	0.762	0.82
234_D	252_A	0.760	0.81
213_E	268_S	0.757	0.81
77_G	108_F	0.756	0.81
52_E	55_A	0.755	0.81
75_Y	78_M	0.755	0.81
182_A	198_V	0.754	0.81
248_A	257_I	0.752	0.81
107_Y	135_P	0.747	0.80
86_V	102_L	0.747	0.80
306_C	310_D	0.747	0.80
221_V	224_A	0.747	0.80
221_V	233_L	0.746	0.80
269_L	273_N	0.743	0.80
21_F	36_L	0.742	0.80
300_N	321_Q	0.738	0.79
44_P	315_A	0.738	0.79
239_F	282_L	0.737	0.79
17_V	319_A	0.736	0.79
178_L	200_M	0.736	0.79
291_I	314_L	0.736	0.79
205_T	241_A	0.734	0.79
18_K	119_D	0.730	0.79
50_E	69_I	0.727	0.78
152_V	293_Q	0.726	0.78
19_I	318_T	0.725	0.78
229_P	233_L	0.724	0.78
195_E	232_T	0.723	0.78
150_S	181_I	0.722	0.78
5_F	313_N	0.720	0.78
175_S	179_A	0.716	0.77
189_A	193_D	0.714	0.77
25_L	56_K	0.712	0.77
169_I	292_L	0.712	0.77
151_G	165_A	0.711	0.77
152_V	189_A	0.708	0.77
47_I	108_F	0.707	0.76
83_Q	86_V	0.706	0.76
157_R	162_Y	0.706	0.76
46_V	67_V	0.706	0.76
80_D	84_A	0.705	0.76
151_G	168_A	0.705	0.76
9_Q	41_V	0.705	0.76
206_K	254_D	0.704	0.76
10_E	14_G	0.703	0.76
25_L	105_E	0.703	0.76
6_S	10_E	0.703	0.76
25_L	126_A	0.699	0.76
201_L	267_P	0.698	0.76
26_D	46_V	0.694	0.75
110_T	121_L	0.693	0.75
20_V	47_I	0.688	0.74
9_Q	13_A	0.684	0.74
93_A	98_A	0.683	0.74
89_R	92_K	0.680	0.74
83_Q	99_R	0.680	0.74
238_Q	305_G	0.678	0.73
75_Y	81_L	0.674	0.73
318_T	321_Q	0.674	0.73
18_K	44_P	0.674	0.73
213_E	270_E	0.673	0.73
162_Y	243_F	0.673	0.73
106_N	127_H	0.672	0.73
29_I	125_A	0.670	0.73
27_E	59_E	0.670	0.73
100_K	103_L	0.666	0.72
40_K	66_G	0.666	0.72
176_Q	179_A	0.664	0.72
135_P	138_Q	0.660	0.71
54_Q	69_I	0.659	0.71
189_A	263_V	0.658	0.71
283_G	312_Y	0.658	0.71
31_E	35_K	0.653	0.71
176_Q	222_K	0.650	0.70
198_V	263_V	0.650	0.70
184_E	187_N	0.649	0.70
127_H	131_D	0.644	0.70
19_I	300_N	0.642	0.69
21_F	44_P	0.642	0.69
55_A	58_K	0.641	0.69
31_E	60_L	0.638	0.69
190_K	230_E	0.638	0.69
211_S	215_E	0.636	0.69
30_L	53_I	0.634	0.68
188_T	291_I	0.628	0.68
57_A	63_T	0.628	0.68
147_K	177_D	0.628	0.68
238_Q	273_N	0.628	0.68
168_A	303_S	0.625	0.67
46_V	53_I	0.624	0.67
190_K	231_L	0.623	0.67
182_A	224_A	0.621	0.67
210_K	218_A	0.621	0.67
309_E	313_N	0.619	0.67
239_F	275_G	0.619	0.67
218_A	221_V	0.617	0.66
144_E	296_N	0.615	0.66
291_I	317_I	0.614	0.66
37_A	66_G	0.613	0.66
191_M	194_I	0.611	0.66
26_D	29_I	0.606	0.65
114_Y	296_N	0.605	0.65
273_N	276_Y	0.600	0.64
20_V	45_I	0.597	0.64
75_Y	112_L	0.596	0.64
35_K	308_A	0.596	0.64
20_V	109_G	0.595	0.63
85_F	111_M	0.595	0.63
162_Y	282_L	0.593	0.63
82_V	102_L	0.591	0.63
110_T	299_V	0.590	0.63
23_E	125_A	0.589	0.63
52_E	56_K	0.587	0.62
182_A	263_V	0.585	0.62
208_S	238_Q	0.585	0.62
239_F	274_I	0.580	0.62
171_I	203_F	0.579	0.61
203_F	238_Q	0.577	0.61
70_Y	112_L	0.574	0.61
85_F	139_I	0.571	0.60
106_N	132_T	0.568	0.60
33_V	46_V	0.568	0.60
206_K	236_E	0.568	0.60
134_R	137_L	0.567	0.60
204_S	207_G	0.566	0.60
173_P	177_D	0.566	0.60
142_T	149_T	0.563	0.59
8_V	316_L	0.563	0.59
197_R	261_A	0.563	0.59
179_A	183_I	0.560	0.59
12_V	17_V	0.558	0.59
266_F	275_G	0.558	0.59
251_K	303_S	0.556	0.58
79_E	95_E	0.555	0.58
47_I	112_L	0.555	0.58
58_K	65_G	0.547	0.57
190_K	228_A	0.546	0.57
129_T	151_G	0.546	0.57
148_K	169_I	0.544	0.57
101_A	107_Y	0.542	0.56
162_Y	285_F	0.541	0.56
220_A	224_A	0.541	0.56
275_G	279_A	0.540	0.56
157_R	283_G	0.539	0.56
39_N	312_Y	0.539	0.56
148_K	151_G	0.539	0.56
224_A	227_K	0.537	0.56
155_M	217_V	0.537	0.56
28_R	311_V	0.537	0.56
42_L	316_L	0.536	0.56
305_G	310_D	0.536	0.56
248_A	259_G	0.535	0.55
116_G	246_S	0.535	0.55
212_D	218_A	0.534	0.55
175_S	322_A	0.534	0.55
31_E	307_N	0.533	0.55
102_L	107_Y	0.533	0.55
37_A	44_P	0.533	0.55
12_V	320_A	0.532	0.55
101_A	138_Q	0.532	0.55
36_L	312_Y	0.531	0.55
234_D	257_I	0.531	0.55
33_V	67_V	0.531	0.55
156_A	286_E	0.530	0.55
236_E	282_L	0.530	0.55
85_F	98_A	0.530	0.55
5_F	9_Q	0.530	0.55
200_M	231_L	0.529	0.55
83_Q	90_K	0.528	0.54
110_T	141_K	0.528	0.54
11_K	193_D	0.528	0.54
152_V	185_S	0.526	0.54
131_D	134_R	0.526	0.54
34_S	57_A	0.526	0.54
63_T	66_G	0.525	0.54
47_I	75_Y	0.525	0.54
224_A	228_A	0.524	0.54
96_E	100_K	0.524	0.54
47_I	78_M	0.522	0.54
99_R	103_L	0.521	0.54
160_E	285_F	0.520	0.53
240_D	277_K	0.520	0.53
201_L	273_N	0.519	0.53
88_R	111_M	0.519	0.53
265_V	272_G	0.519	0.53
129_T	303_S	0.518	0.53
125_A	311_V	0.517	0.53
26_D	56_K	0.517	0.53
247_V	281_R	0.516	0.53
12_V	316_L	0.515	0.53
24_G	47_I	0.514	0.53
224_A	229_P	0.513	0.52
177_D	180_E	0.511	0.52
24_G	45_I	0.511	0.52
154_I	288_V	0.511	0.52
218_A	237_F	0.511	0.52
7_T	10_E	0.510	0.52
156_A	288_V	0.510	0.52
88_R	141_K	0.510	0.52
156_A	161_Q	0.509	0.52
181_I	184_E	0.509	0.52
239_F	279_A	0.508	0.52
157_R	282_L	0.507	0.52
71_D	75_Y	0.507	0.52
53_I	65_G	0.506	0.51
104_D	123_S	0.506	0.51
33_V	44_P	0.505	0.51
7_T	193_D	0.505	0.51
228_A	233_L	0.505	0.51
197_R	259_G	0.505	0.51
46_V	56_K	0.505	0.51
150_S	170_N	0.503	0.51
101_A	104_D	0.503	0.51
219_D	223_I	0.502	0.51
241_A	251_K	0.502	0.51
121_L	295_L	0.501	0.51
153_F	168_A	0.500	0.51
236_E	278_I	0.500	0.51

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
4e4rA	2	1	100	0.369	Contact Map
1td9A	3	1	100	0.387	Contact Map
1r5jA	4	1	100	0.401	Contact Map
2af4C	2	0.9907	100	0.405	Contact Map
1vmiA	2	0.9938	100	0.425	Contact Map
1ycoA	2	0.8297	100	0.472	Contact Map
3uf6A	2	0.87	100	0.488	Contact Map
4jqpA	2	0.8793	100	0.573	Contact Map
3lxyA	2	0.8793	100	0.596	Contact Map
1yxoA	2	0.87	100	0.6	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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