PKSG - BACSU - GREMLIN Contacts

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PKSG - Polyketide biosynthesis 3-hydroxy-3-methylglutaryl-ACP synthase PksG

UniProt:	P40830	Sequences: MVSAGIEAMNVFGGTAYLDVMELAKYRHLDTARFENLLMKEKAVALPYEDPVTFGVNAAKPIIDALSEAEKDRIELLITCSESGIDFGKSLSTYIHEYLGLNRNCRLFEVKQACYSGTAGFQMAVNFILSQTSPGAKALVIASDISRFLIAEGGDALSEDWSYAEPSAGAGAVAVLVGENPEVFQIDPGANGYYGYEVMDTCRPIPDSEAGDSDLSLMSYLDCCEQTFLEYQKRVPGANYQDTFQYLAYHTPFGGMVKGAHRTMMRKVAKVKTSGIETDFLTRVKPGLNYCQRVGNIMGAALFLALASTIDQGRFDTPKRIGCFSYGSGCCSEFYSGITTPQGQERQRTFGIEKHLDRRYQLSMEEYELLFKGSGMVRFGTRNVKLDFEMIPGIMQSTQEKPRLFLEEISEFHRKYRWIS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	420 (317)
Sequences:	2254 (1384)
Seq/√Len:	77.8

BACSU - PKSG
HALSA - Q9HPJ0
SULSO - Y535

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
55_G	95_I	5.021	1.00
41_E	293_R	4.976	1.00
121_F	177_V	4.938	1.00
124_A	138_A	4.831	1.00
128_I	177_V	4.142	1.00
62_I	176_L	4.022	1.00
76_L	138_A	3.608	1.00
320_R	338_I	3.562	1.00
245_Q	319_K	3.530	1.00
187_D	338_I	3.279	1.00
40_K	292_Q	3.242	1.00
59_A	139_L	3.115	1.00
51_P	143_S	3.080	1.00
185_Q	338_I	3.044	1.00
302_L	323_C	2.958	1.00
75_E	136_A	2.873	1.00
70_E	73_R	2.619	1.00
125_V	186_I	2.522	1.00
19_D	22_E	2.455	1.00
10_N	61_P	2.353	1.00
7_E	178_G	2.352	1.00
56_V	98_Y	2.350	1.00
230_E	233_K	2.246	1.00
9_M	307_A	2.241	1.00
45_A	170_A	2.210	1.00
239_N	242_D	2.206	1.00
316_D	319_K	2.196	1.00
11_V	307_A	2.192	1.00
75_E	137_K	2.159	1.00
95_I	141_I	2.133	1.00
217_L	253_F	2.127	1.00
92_S	107_L	2.123	1.00
114_C	296_N	2.105	1.00
59_A	99_L	2.098	1.00
250_H	296_N	2.065	1.00
3_S	185_Q	1.985	1.00
12_F	54_F	1.973	1.00
171_G	297_I	1.957	1.00
73_R	137_K	1.952	1.00
40_K	293_R	1.926	1.00
297_I	300_A	1.878	1.00
79_T	91_L	1.870	1.00
79_T	143_S	1.857	1.00
117_G	142_A	1.845	1.00
56_V	95_I	1.843	1.00
17_Y	41_E	1.841	1.00
58_A	172_A	1.778	1.00
90_S	112_Q	1.771	1.00
323_C	337_G	1.742	1.00
8_A	62_I	1.697	1.00
19_D	41_E	1.678	1.00
187_D	320_R	1.673	1.00
10_N	62_I	1.655	1.00
253_F	256_M	1.647	1.00
231_Y	244_F	1.639	1.00
74_I	139_L	1.636	1.00
22_E	25_K	1.622	1.00
97_E	197_E	1.614	1.00
60_K	64_D	1.600	1.00
101_L	105_C	1.591	1.00
184_F	337_G	1.560	0.99
244_F	336_S	1.556	0.99
118_T	303_F	1.547	0.99
4_A	129_L	1.537	0.99
50_D	53_T	1.527	0.99
171_G	304_L	1.524	0.99
230_E	234_R	1.521	0.99
231_Y	336_S	1.519	0.99
120_G	140_V	1.508	0.99
80_C	120_G	1.500	0.99
81_S	84_G	1.489	0.99
228_F	264_M	1.488	0.99
114_C	250_H	1.487	0.99
187_D	336_S	1.481	0.99
51_P	91_L	1.480	0.99
192_G	230_E	1.477	0.99
11_V	304_L	1.473	0.99
104_N	230_E	1.472	0.99
110_V	123_M	1.463	0.99
60_K	71_K	1.429	0.99
63_I	71_K	1.429	0.99
322_G	334_F	1.428	0.99
228_F	232_Q	1.417	0.99
121_F	303_F	1.414	0.99
143_S	172_A	1.412	0.99
125_V	129_L	1.393	0.99
307_A	311_D	1.358	0.98
104_N	234_R	1.353	0.98
247_L	322_G	1.311	0.98
75_E	127_F	1.304	0.98
294_V	304_L	1.296	0.98
320_R	336_S	1.294	0.98
212_D	215_L	1.285	0.98
73_R	136_A	1.274	0.98
238_A	242_D	1.269	0.98
87_F	205_I	1.268	0.98
62_I	66_L	1.257	0.97
78_I	108_F	1.256	0.97
137_K	178_G	1.250	0.97
317_T	341_P	1.246	0.97
315_F	319_K	1.246	0.97
315_F	339_T	1.232	0.97
12_F	57_N	1.223	0.97
200_D	203_R	1.221	0.97
4_A	128_I	1.211	0.97
4_A	177_V	1.210	0.97
46_L	49_E	1.206	0.97
226_Q	230_E	1.203	0.97
297_I	304_L	1.202	0.97
198_V	201_T	1.173	0.96
124_A	177_V	1.168	0.96
7_E	182_E	1.161	0.96
78_I	123_M	1.156	0.96
246_Y	319_K	1.153	0.96
175_V	303_F	1.151	0.96
80_C	142_A	1.150	0.96
75_E	135_G	1.147	0.96
52_V	91_L	1.143	0.96
90_S	93_T	1.139	0.95
196_Y	222_D	1.136	0.95
69_A	73_R	1.135	0.95
4_A	125_V	1.135	0.95
258_K	262_R	1.124	0.95
78_I	110_V	1.114	0.95
214_D	218_M	1.113	0.95
221_L	224_C	1.095	0.94
306_L	337_G	1.081	0.94
110_V	116_S	1.079	0.94
340_T	343_G	1.076	0.94
105_C	139_L	1.071	0.94
178_G	182_E	1.070	0.94
321_I	339_T	1.068	0.94
126_N	132_T	1.067	0.94
127_F	136_A	1.065	0.94
83_S	113_A	1.061	0.93
8_A	65_A	1.030	0.92
21_M	25_K	1.028	0.92
18_L	44_V	1.028	0.92
46_L	50_D	1.024	0.92
306_L	323_C	1.022	0.92
258_K	288_L	1.019	0.92
35_E	40_K	1.017	0.92
308_S	312_Q	1.014	0.92
29_L	35_E	1.011	0.92
323_C	335_Y	1.008	0.91
285_K	288_L	1.007	0.91
291_C	305_A	1.003	0.91
238_A	244_F	1.003	0.91
118_T	325_S	0.997	0.91
113_A	167_S	0.993	0.91
234_R	238_A	0.992	0.91
31_T	35_E	0.987	0.91
229_L	233_K	0.986	0.91
261_H	281_L	0.982	0.90
32_A	35_E	0.973	0.90
185_Q	340_T	0.970	0.90
91_L	143_S	0.961	0.89
63_I	74_I	0.959	0.89
302_L	335_Y	0.946	0.89
8_A	66_L	0.942	0.88
198_V	215_L	0.933	0.88
261_H	284_V	0.933	0.88
135_G	179_E	0.930	0.88
196_Y	206_P	0.927	0.88
79_T	112_Q	0.926	0.88
79_T	141_I	0.925	0.88
171_G	300_A	0.924	0.88
302_L	325_S	0.912	0.87
33_R	36_N	0.911	0.87
30_D	35_E	0.911	0.87
77_L	138_A	0.910	0.87
139_L	174_A	0.909	0.87
250_H	301_A	0.907	0.87
58_A	174_A	0.901	0.86
214_D	217_L	0.899	0.86
61_P	65_A	0.896	0.86
133_S	136_A	0.889	0.85
246_Y	309_T	0.888	0.85
142_A	300_A	0.881	0.85
218_M	222_D	0.881	0.85
55_G	58_A	0.874	0.84
340_T	344_Q	0.871	0.84
248_A	305_A	0.866	0.84
247_L	334_F	0.865	0.84
184_F	187_D	0.859	0.83
250_H	328_S	0.856	0.83
233_K	282_T	0.856	0.83
226_Q	229_L	0.853	0.83
212_D	216_S	0.851	0.83
135_G	138_A	0.850	0.83
17_Y	43_A	0.847	0.83
66_L	69_A	0.842	0.82
281_L	285_K	0.841	0.82
216_S	326_Y	0.841	0.82
82_E	298_M	0.837	0.82
42_K	170_A	0.836	0.82
44_V	147_R	0.835	0.82
118_T	333_E	0.834	0.82
257_V	284_V	0.832	0.81
7_E	137_K	0.831	0.81
167_S	252_P	0.829	0.81
89_K	296_N	0.826	0.81
81_S	91_L	0.826	0.81
186_I	337_G	0.825	0.81
118_T	302_L	0.823	0.81
82_E	301_A	0.818	0.80
167_S	296_N	0.814	0.80
168_A	252_P	0.812	0.80
128_I	324_F	0.812	0.80
192_G	196_Y	0.809	0.80
284_V	288_L	0.809	0.80
122_Q	333_E	0.808	0.79
22_E	26_Y	0.808	0.79
54_F	172_A	0.808	0.79
53_T	98_Y	0.800	0.79
69_A	137_K	0.800	0.79
118_T	335_Y	0.792	0.78
309_T	321_I	0.791	0.78
54_F	143_S	0.791	0.78
199_M	207_D	0.790	0.78
287_G	291_C	0.787	0.78
40_K	233_K	0.786	0.78
61_P	282_T	0.785	0.77
71_K	241_Q	0.783	0.77
168_A	298_M	0.780	0.77
173_V	307_A	0.778	0.77
52_V	81_S	0.777	0.77
38_L	254_G	0.777	0.77
77_L	105_C	0.776	0.77
167_S	328_S	0.776	0.77
59_A	174_A	0.770	0.76
9_M	175_V	0.767	0.76
129_L	132_T	0.764	0.76
245_Q	283_R	0.762	0.75
252_P	256_M	0.758	0.75
10_N	176_L	0.758	0.75
192_G	195_G	0.755	0.75
59_A	62_I	0.754	0.75
39_M	254_G	0.753	0.74
285_K	289_N	0.750	0.74
290_Y	311_D	0.745	0.74
232_Q	236_P	0.744	0.74
303_F	309_T	0.744	0.74
59_A	141_I	0.743	0.74
151_A	154_G	0.742	0.73
54_F	170_A	0.740	0.73
41_E	294_V	0.738	0.73
89_K	144_D	0.736	0.73
225_E	229_L	0.728	0.72
251_T	305_A	0.726	0.72
10_N	178_G	0.724	0.72
188_P	236_P	0.722	0.71
298_M	326_Y	0.710	0.70
146_S	298_M	0.709	0.70
56_V	92_S	0.708	0.70
116_S	120_G	0.706	0.70
25_K	31_T	0.705	0.70
39_M	250_H	0.704	0.69
287_G	305_A	0.704	0.69
115_Y	333_E	0.702	0.69
227_T	334_F	0.699	0.69
231_Y	334_F	0.695	0.68
33_R	38_L	0.691	0.68
78_I	140_V	0.687	0.68
59_A	63_I	0.687	0.68
267_K	282_T	0.687	0.68
202_C	207_D	0.686	0.67
75_E	138_A	0.685	0.67
79_T	107_L	0.684	0.67
253_F	298_M	0.684	0.67
224_C	264_M	0.682	0.67
116_S	299_G	0.682	0.67
233_K	237_G	0.680	0.67
65_A	310_I	0.675	0.66
248_A	309_T	0.672	0.66
89_K	250_H	0.671	0.66
202_C	208_S	0.670	0.66
81_S	98_Y	0.667	0.65
168_A	328_S	0.666	0.65
137_K	179_E	0.666	0.65
55_G	79_T	0.664	0.65
21_M	32_A	0.662	0.65
195_G	198_V	0.661	0.65
123_M	127_F	0.661	0.65
82_E	113_A	0.661	0.65
116_S	253_F	0.660	0.64
115_Y	119_A	0.660	0.64
29_L	33_R	0.659	0.64
203_R	207_D	0.658	0.64
223_C	332_S	0.658	0.64
24_A	32_A	0.657	0.64
177_V	234_R	0.657	0.64
114_C	328_S	0.656	0.64
96_H	103_R	0.656	0.64
82_E	86_D	0.656	0.64
49_E	53_T	0.655	0.64
110_V	127_F	0.653	0.64
185_Q	320_R	0.650	0.63
191_N	195_G	0.647	0.63
199_M	203_R	0.645	0.63
39_M	42_K	0.644	0.63
14_G	170_A	0.643	0.62
57_N	60_K	0.640	0.62
291_C	304_L	0.640	0.62
201_T	204_P	0.638	0.62
16_A	46_L	0.636	0.62
237_G	313_G	0.635	0.62
232_Q	244_F	0.635	0.62
229_L	234_R	0.634	0.61
110_V	120_G	0.634	0.61
71_K	105_C	0.631	0.61
238_A	336_S	0.628	0.61
252_P	298_M	0.628	0.61
184_F	323_C	0.626	0.60
167_S	298_M	0.626	0.60
248_A	321_I	0.626	0.60
222_D	225_E	0.623	0.60
55_G	59_A	0.622	0.60
19_D	25_K	0.622	0.60
85_I	303_F	0.621	0.60
60_K	99_L	0.621	0.60
225_E	263_T	0.620	0.60
341_P	346_R	0.620	0.60
289_N	345_E	0.619	0.60
90_S	113_A	0.618	0.59
63_I	70_E	0.617	0.59
22_E	222_D	0.616	0.59
3_S	180_N	0.614	0.59
20_V	39_M	0.612	0.59
282_T	313_G	0.612	0.59
228_F	334_F	0.612	0.59
52_V	95_I	0.610	0.58
212_D	217_L	0.610	0.58
121_F	300_A	0.610	0.58
197_E	203_R	0.610	0.58
251_T	257_V	0.608	0.58
126_N	133_S	0.608	0.58
163_Y	252_P	0.608	0.58
10_N	58_A	0.605	0.58
262_R	266_R	0.604	0.58
296_N	301_A	0.601	0.57
195_G	202_C	0.599	0.57
187_D	337_G	0.596	0.57
238_A	312_Q	0.595	0.57
248_A	297_I	0.592	0.56
21_M	95_I	0.592	0.56
96_H	195_G	0.592	0.56
55_G	81_S	0.591	0.56
168_A	326_Y	0.591	0.56
190_A	262_R	0.588	0.56
4_A	43_A	0.588	0.56
213_S	301_A	0.588	0.56
66_L	71_K	0.586	0.55
201_T	208_S	0.585	0.55
197_E	200_D	0.585	0.55
253_F	291_C	0.585	0.55
60_K	95_I	0.584	0.55
252_P	326_Y	0.584	0.55
76_L	123_M	0.584	0.55
164_A	330_C	0.583	0.55
226_Q	233_K	0.582	0.55
102_N	105_C	0.582	0.55
76_L	128_I	0.582	0.55
29_L	34_F	0.581	0.55
324_F	334_F	0.579	0.55
88_G	111_K	0.577	0.54
80_C	116_S	0.576	0.54
10_N	14_G	0.575	0.54
37_L	256_M	0.572	0.54
342_Q	346_R	0.572	0.54
89_K	147_R	0.571	0.54
143_S	289_N	0.571	0.54
41_E	241_Q	0.571	0.54
108_F	123_M	0.571	0.54
177_V	222_D	0.570	0.53
62_I	174_A	0.570	0.53
93_T	195_G	0.570	0.53
103_R	196_Y	0.569	0.53
81_S	301_A	0.568	0.53
73_R	135_G	0.568	0.53
89_K	220_Y	0.567	0.53
5_G	49_E	0.567	0.53
110_V	139_L	0.566	0.53
197_E	201_T	0.566	0.53
297_I	301_A	0.565	0.53
242_D	282_T	0.565	0.53
267_K	314_R	0.564	0.53
51_P	55_G	0.564	0.53
256_M	260_A	0.564	0.53
204_P	207_D	0.564	0.53
254_G	292_Q	0.563	0.53
47_P	83_S	0.562	0.52
127_F	135_G	0.562	0.52
37_L	284_V	0.561	0.52
240_Y	245_Q	0.556	0.52
201_T	209_E	0.556	0.52
205_I	208_S	0.555	0.51
3_S	129_L	0.552	0.51
30_D	33_R	0.551	0.51
68_E	345_E	0.551	0.51
52_V	94_Y	0.550	0.51
194_Y	227_T	0.550	0.51
113_A	298_M	0.548	0.51
289_N	312_Q	0.547	0.50
9_M	183_V	0.547	0.50
119_A	333_E	0.547	0.50
80_C	298_M	0.546	0.50
62_I	139_L	0.543	0.50
285_K	312_Q	0.543	0.50
257_V	287_G	0.542	0.50
313_G	341_P	0.541	0.50
239_N	316_D	0.541	0.50
52_V	85_I	0.540	0.50
62_I	71_K	0.540	0.50
120_G	227_T	0.539	0.49
267_K	283_R	0.539	0.49
201_T	328_S	0.539	0.49
37_L	166_P	0.539	0.49
121_F	186_I	0.538	0.49
245_Q	320_R	0.538	0.49
54_F	306_L	0.536	0.49
124_A	142_A	0.536	0.49
285_K	293_R	0.536	0.49
245_Q	285_K	0.536	0.49
301_A	328_S	0.536	0.49
101_L	124_A	0.535	0.49
14_G	54_F	0.533	0.49
236_P	242_D	0.533	0.49
63_I	66_L	0.533	0.49
296_N	302_L	0.531	0.48
250_H	256_M	0.530	0.48
94_Y	199_M	0.530	0.48
82_E	216_S	0.529	0.48
199_M	202_C	0.529	0.48
19_D	197_E	0.529	0.48
266_R	283_R	0.528	0.48
229_L	232_Q	0.528	0.48
198_V	203_R	0.525	0.48
18_L	301_A	0.525	0.48
205_I	290_Y	0.525	0.48
236_P	281_L	0.524	0.48
221_L	256_M	0.524	0.48
59_A	71_K	0.524	0.48
117_G	325_S	0.524	0.48
307_A	310_I	0.523	0.47
253_F	326_Y	0.523	0.47
72_D	342_Q	0.523	0.47
21_M	69_A	0.523	0.47
66_L	176_L	0.521	0.47
339_T	342_Q	0.520	0.47
74_I	101_L	0.520	0.47
17_Y	22_E	0.520	0.47
289_N	313_G	0.519	0.47
258_K	284_V	0.518	0.47
64_D	72_D	0.516	0.47
254_G	288_L	0.516	0.47
81_S	171_G	0.515	0.46
76_L	127_F	0.515	0.46
223_C	228_F	0.514	0.46
69_A	321_I	0.513	0.46
116_S	325_S	0.512	0.46
93_T	123_M	0.511	0.46
289_N	293_R	0.511	0.46
281_L	284_V	0.508	0.45
182_E	346_R	0.508	0.45
289_N	317_T	0.507	0.45
211_G	217_L	0.505	0.45
177_V	225_E	0.505	0.45
55_G	345_E	0.505	0.45
113_A	250_H	0.504	0.45
77_L	187_D	0.502	0.45
128_I	138_A	0.502	0.45
201_T	205_I	0.502	0.45
82_E	88_G	0.501	0.45
110_V	138_A	0.501	0.45
110_V	236_P	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
2f82A	2	0.9357	100	0.26	Contact Map
2p8uA	2	0.9429	100	0.265	Contact Map
2wyaA	2	0.9429	100	0.266	Contact Map
1xpmA	2	0.9167	100	0.297	Contact Map
3v4nA	2	0.9048	100	0.311	Contact Map
3sqzA	2	0.9119	100	0.321	Contact Map
3vs8A	2	0.7476	100	0.505	Contact Map
3il3A	2	0.731	100	0.517	Contact Map
1tedA	2	0.7571	100	0.519	Contact Map
3gwaA	2	0.7381	100	0.52	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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