AK3 - BACSU - GREMLIN Contacts

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AK3 - Aspartokinase 3

UniProt:	P94417	Sequences: MKVVKFGGSSLASGAQLDKVFHIVTSDPARKAVVVSAPGKHYAEDTKVTDLLIACAEQYLATGSAPELAEAVVERYALIANELQLGQSIIEKIRDDLFTLLEGDKSNPEQYLDAVKASGEDNNAKLIAAYFRYKGVKAEYVNPKDAGLFVTNEPGNAQVLPESYQNLYRLRERDGLIIFPGFFGFSKDGDVITFSRSGSDITGSILANGLQADLYENFTDVDAVYSVNPSFVENPKEISELTYREMRELSYAGFSVFHDEALIPAFRAGIPVQIKNTNNPSAEGTRVVSKRDNTNGPVVGIASDTGFCSIYISKYLMNREIGFGRRALQILEEHGLTYEHVPSGIDDMTIILRQGQMDAATERSVIKRIEEDLHADEVIVEHHLALIMVVGEAMRHNVGTTARAAKALSEAQVNIEMINQGSSEVSMMFGVKEAEERKAVQALYQEFFAGVLIS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	454 (353)
Sequences:	4297 (2434)
Seq/√Len:	129.6

ECOLI - AK1H AK2H AK3
BACSU - AK3 AK2 AK1
HALSA - Q9HMV1
SULSO - Q97ZL7

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
136_V	176_L	4.778	1.00
137_K	175_G	4.276	1.00
186_S	190_D	4.269	1.00
403_R	446_E	4.269	1.00
179_F	206_L	4.063	1.00
435_E	438_K	3.972	1.00
207_A	215_Y	3.853	1.00
249_L	390_V	3.122	1.00
240_E	288_V	3.073	1.00
214_L	273_Q	3.018	1.00
273_Q	286_R	3.007	1.00
406_K	410_E	2.996	1.00
279_N	282_A	2.939	1.00
141_V	170_L	2.913	1.00
128_A	138_A	2.859	1.00
222_D	279_N	2.774	1.00
383_H	433_E	2.749	1.00
303_S	436_E	2.737	1.00
139_E	175_G	2.650	1.00
387_I	443_L	2.618	1.00
329_Q	333_E	2.421	1.00
363_R	367_K	2.410	1.00
152_N	186_S	2.348	1.00
124_A	180_P	2.329	1.00
132_R	137_K	2.313	1.00
305_T	437_R	2.285	1.00
239_S	283_E	2.280	1.00
211_Q	268_A	2.233	1.00
222_D	282_A	2.225	1.00
165_Q	169_R	2.217	1.00
326_R	372_D	2.184	1.00
216_E	273_Q	2.178	1.00
394_M	399_G	2.160	1.00
359_A	380_V	2.158	1.00
150_V	192_I	2.066	1.00
113_D	155_G	2.037	1.00
305_T	433_E	2.018	1.00
244_R	266_F	1.972	1.00
238_I	241_L	1.947	1.00
234_N	445_Q	1.930	1.00
438_K	441_Q	1.926	1.00
112_L	116_K	1.923	1.00
206_L	210_L	1.904	1.00
367_K	370_E	1.901	1.00
93_I	96_D	1.893	1.00
411_A	438_K	1.886	1.00
325_R	332_E	1.868	1.00
164_Y	168_Y	1.858	1.00
265_A	272_V	1.835	1.00
408_L	439_A	1.828	1.00
130_Y	134_K	1.786	1.00
144_K	191_V	1.746	1.00
432_K	435_E	1.707	1.00
269_G	289_S	1.659	1.00
143_P	146_A	1.623	1.00
204_S	215_Y	1.612	1.00
139_E	177_I	1.610	1.00
131_F	136_V	1.576	1.00
227_V	303_S	1.547	1.00
360_A	382_H	1.543	1.00
387_I	439_A	1.536	1.00
340_H	430_G	1.531	1.00
105_K	108_P	1.530	1.00
219_T	274_I	1.530	1.00
404_A	429_F	1.522	1.00
308_C	354_Q	1.522	1.00
317_M	322_G	1.521	1.00
301_I	440_V	1.519	1.00
118_S	122_N	1.500	1.00
404_A	443_L	1.484	1.00
410_E	446_E	1.481	1.00
150_V	184_G	1.481	1.00
117_A	191_V	1.433	1.00
334_H	361_T	1.430	1.00
166_N	170_L	1.418	1.00
381_E	416_E	1.408	1.00
94_R	97_L	1.406	1.00
169_R	173_R	1.403	1.00
411_A	442_A	1.401	1.00
216_E	275_K	1.381	1.00
413_V	439_A	1.375	1.00
387_I	440_V	1.373	1.00
115_V	125_K	1.367	1.00
151_T	157_A	1.360	1.00
407_A	446_E	1.360	1.00
414_N	418_I	1.343	1.00
101_L	115_V	1.341	1.00
159_V	205_I	1.337	1.00
385_A	436_E	1.335	1.00
129_A	132_R	1.325	1.00
110_Q	190_D	1.323	1.00
162_E	166_N	1.309	1.00
375_A	378_V	1.305	1.00
222_D	225_Y	1.301	1.00
99_T	103_G	1.297	1.00
214_L	286_R	1.293	1.00
94_R	98_F	1.289	1.00
312_I	327_A	1.286	1.00
141_V	177_I	1.278	1.00
149_F	187_K	1.273	1.00
333_E	368_R	1.271	1.00
169_R	172_E	1.268	1.00
154_P	157_A	1.260	1.00
416_E	432_K	1.259	1.00
399_G	424_E	1.258	1.00
327_A	366_I	1.254	1.00
167_L	177_I	1.252	1.00
215_Y	265_A	1.247	1.00
308_C	382_H	1.246	1.00
226_S	444_Y	1.239	1.00
370_E	375_A	1.234	1.00
445_Q	449_A	1.219	1.00
143_P	180_P	1.217	1.00
208_N	270_I	1.214	0.99
240_E	286_R	1.214	0.99
222_D	276_N	1.208	0.99
322_G	414_N	1.208	0.99
363_R	380_V	1.206	0.99
137_K	174_D	1.197	0.99
149_F	185_F	1.194	0.99
383_H	432_K	1.190	0.99
336_L	365_V	1.187	0.99
202_T	206_L	1.184	0.99
303_S	440_V	1.180	0.99
167_L	206_L	1.180	0.99
308_C	356_Q	1.179	0.99
324_G	350_I	1.164	0.99
364_S	368_R	1.160	0.99
157_A	192_I	1.156	0.99
99_T	102_E	1.154	0.99
437_R	441_Q	1.152	0.99
324_G	348_M	1.149	0.99
128_A	140_Y	1.140	0.99
240_E	292_D	1.138	0.99
127_I	131_F	1.127	0.99
95_D	99_T	1.127	0.99
334_H	368_R	1.121	0.99
131_F	178_I	1.120	0.99
310_I	362_E	1.116	0.99
109_E	155_G	1.112	0.99
186_S	192_I	1.112	0.99
330_I	334_H	1.111	0.99
168_Y	172_E	1.111	0.99
117_A	121_D	1.108	0.99
313_S	377_E	1.101	0.99
144_K	185_F	1.096	0.99
420_Q	424_E	1.091	0.99
221_V	256_V	1.083	0.99
241_L	299_V	1.079	0.99
389_V	404_A	1.078	0.99
413_V	438_K	1.075	0.99
367_K	371_E	1.074	0.99
113_D	193_T	1.072	0.99
93_I	125_K	1.066	0.99
95_D	98_F	1.066	0.99
407_A	442_A	1.056	0.99
387_I	431_V	1.055	0.99
150_V	154_P	1.051	0.99
324_G	338_Y	1.051	0.99
168_Y	211_Q	1.050	0.99
98_F	102_E	1.044	0.98
330_I	369_I	1.039	0.98
154_P	186_S	1.037	0.98
358_D	361_T	1.032	0.98
399_G	414_N	1.029	0.98
257_F	287_V	1.027	0.98
148_L	202_T	1.026	0.98
333_E	372_D	1.024	0.98
149_F	163_S	1.019	0.98
231_F	303_S	1.016	0.98
309_S	416_E	1.010	0.98
128_A	132_R	1.006	0.98
160_L	187_K	1.001	0.98
305_T	436_E	0.993	0.98
401_T	405_A	0.988	0.98
388_M	428_M	0.983	0.98
200_D	220_D	0.983	0.98
227_V	440_V	0.981	0.98
389_V	427_M	0.977	0.98
331_L	350_I	0.976	0.98
328_L	350_I	0.972	0.98
231_F	440_V	0.970	0.98
306_G	433_E	0.970	0.98
385_A	433_E	0.969	0.97
317_M	323_F	0.965	0.97
151_T	154_P	0.963	0.97
127_I	178_I	0.961	0.97
151_T	156_N	0.958	0.97
356_Q	382_H	0.954	0.97
150_V	157_A	0.954	0.97
308_C	359_A	0.953	0.97
125_K	129_A	0.952	0.97
407_A	411_A	0.950	0.97
96_D	100_L	0.949	0.97
364_S	367_K	0.948	0.97
149_F	189_G	0.943	0.97
262_L	272_V	0.943	0.97
227_V	232_V	0.938	0.97
340_H	428_M	0.936	0.97
143_P	179_F	0.932	0.97
324_G	343_S	0.923	0.97
356_Q	433_E	0.920	0.97
370_E	374_H	0.919	0.97
149_F	166_N	0.918	0.97
314_K	376_D	0.914	0.96
257_F	272_V	0.911	0.96
177_I	180_P	0.909	0.96
342_P	419_N	0.909	0.96
138_A	176_L	0.908	0.96
152_N	188_D	0.904	0.96
411_A	435_E	0.898	0.96
113_D	184_G	0.896	0.96
402_A	409_S	0.895	0.96
381_E	384_L	0.893	0.96
384_L	416_E	0.893	0.96
406_K	446_E	0.891	0.96
152_N	157_A	0.890	0.96
304_D	307_F	0.890	0.96
386_L	430_G	0.886	0.96
142_N	191_V	0.886	0.96
324_G	341_V	0.879	0.96
156_N	358_D	0.879	0.96
151_T	158_Q	0.872	0.95
331_L	338_Y	0.872	0.95
384_L	430_G	0.868	0.95
327_A	378_V	0.866	0.95
233_E	441_Q	0.864	0.95
445_Q	448_F	0.862	0.95
322_G	343_S	0.857	0.95
311_Y	351_I	0.856	0.95
395_R	424_E	0.855	0.95
334_H	365_V	0.852	0.95
360_A	363_R	0.850	0.95
225_Y	257_F	0.848	0.95
344_G	351_I	0.846	0.95
328_L	338_Y	0.845	0.94
237_E	282_A	0.844	0.94
310_I	336_L	0.844	0.94
132_R	138_A	0.840	0.94
232_V	440_V	0.838	0.94
369_I	373_L	0.835	0.94
124_A	178_I	0.834	0.94
198_G	220_D	0.833	0.94
234_N	449_A	0.833	0.94
219_T	277_T	0.832	0.94
404_A	427_M	0.832	0.94
401_T	418_I	0.830	0.94
225_Y	235_P	0.829	0.94
163_S	168_Y	0.828	0.94
249_L	302_A	0.827	0.94
394_M	424_E	0.824	0.94
240_E	290_K	0.823	0.94
339_E	386_L	0.822	0.94
124_A	140_Y	0.822	0.94
262_L	287_V	0.821	0.94
231_F	305_T	0.820	0.94
408_L	413_V	0.817	0.93
140_Y	180_P	0.817	0.93
141_V	146_A	0.815	0.93
371_E	374_H	0.815	0.93
166_N	169_R	0.814	0.93
227_V	301_I	0.809	0.93
441_Q	445_Q	0.801	0.93
305_T	385_A	0.801	0.93
202_T	264_P	0.798	0.93
128_A	178_I	0.797	0.93
331_L	336_L	0.792	0.92
219_T	256_V	0.792	0.92
97_L	101_L	0.792	0.92
145_D	170_L	0.790	0.92
252_A	388_M	0.783	0.92
100_L	104_D	0.782	0.92
139_E	170_L	0.780	0.92
170_L	175_G	0.777	0.92
217_N	255_S	0.776	0.92
276_N	279_N	0.772	0.91
143_P	183_F	0.769	0.91
145_D	185_F	0.763	0.91
366_I	378_V	0.763	0.91
367_K	377_E	0.762	0.91
383_H	434_A	0.761	0.91
224_V	256_V	0.757	0.91
136_V	178_I	0.752	0.90
365_V	369_I	0.751	0.90
413_V	442_A	0.750	0.90
142_N	146_A	0.749	0.90
345_I	348_M	0.748	0.90
336_L	361_T	0.747	0.90
394_M	400_T	0.747	0.90
310_I	363_R	0.743	0.90
314_K	345_I	0.741	0.90
113_D	192_I	0.739	0.89
417_M	430_G	0.737	0.89
260_E	263_I	0.734	0.89
331_L	362_E	0.732	0.89
402_A	406_K	0.726	0.89
324_G	418_I	0.723	0.88
329_Q	406_K	0.720	0.88
399_G	402_A	0.719	0.88
118_S	121_D	0.718	0.88
131_F	176_L	0.717	0.88
149_F	160_L	0.717	0.88
306_G	355_G	0.716	0.88
325_R	329_Q	0.716	0.88
259_D	264_P	0.712	0.88
321_I	324_G	0.711	0.88
157_A	160_L	0.711	0.88
138_A	178_I	0.710	0.88
328_L	337_T	0.706	0.87
94_R	101_L	0.706	0.87
324_G	346_D	0.704	0.87
401_T	424_E	0.703	0.87
406_K	409_S	0.700	0.87
330_I	365_V	0.700	0.87
197_S	261_A	0.696	0.87
114_A	140_Y	0.696	0.87
182_F	199_S	0.695	0.86
340_H	419_N	0.695	0.86
306_G	357_M	0.694	0.86
93_I	101_L	0.692	0.86
194_F	220_D	0.689	0.86
297_P	400_T	0.688	0.86
165_Q	168_Y	0.687	0.86
395_R	398_V	0.687	0.86
119_G	196_R	0.686	0.86
405_A	414_N	0.684	0.86
122_N	125_K	0.684	0.86
258_H	264_P	0.684	0.86
121_D	140_Y	0.682	0.85
131_F	138_A	0.682	0.85
307_F	339_E	0.681	0.85
322_G	337_T	0.680	0.85
112_L	155_G	0.680	0.85
400_T	427_M	0.680	0.85
194_F	198_G	0.680	0.85
442_A	446_E	0.676	0.85
309_S	381_E	0.676	0.85
242_T	245_E	0.674	0.85
104_D	133_Y	0.674	0.85
263_I	267_R	0.673	0.85
368_R	372_D	0.671	0.84
195_S	444_Y	0.671	0.84
434_A	438_K	0.670	0.84
161_P	164_Y	0.669	0.84
401_T	414_N	0.668	0.84
310_I	378_V	0.667	0.84
226_S	236_K	0.665	0.84
96_D	99_T	0.663	0.84
273_Q	282_A	0.661	0.84
105_K	133_Y	0.661	0.84
248_E	405_A	0.660	0.83
203_G	215_Y	0.659	0.83
93_I	122_N	0.658	0.83
142_N	180_P	0.657	0.83
323_F	348_M	0.656	0.83
343_S	346_D	0.654	0.83
182_F	196_R	0.653	0.83
168_Y	171_R	0.653	0.83
389_V	447_F	0.652	0.83
121_D	191_V	0.649	0.82
201_I	261_A	0.648	0.82
120_E	196_R	0.646	0.82
130_Y	133_Y	0.645	0.82
265_A	268_A	0.645	0.82
361_T	364_S	0.644	0.82
242_T	289_S	0.644	0.82
224_V	246_M	0.643	0.82
92_K	95_D	0.642	0.82
219_T	300_G	0.641	0.82
344_G	349_T	0.637	0.81
288_V	291_R	0.636	0.81
359_A	363_R	0.636	0.81
439_A	442_A	0.635	0.81
170_L	177_I	0.634	0.81
351_I	417_M	0.633	0.81
258_H	272_V	0.631	0.81
227_V	444_Y	0.628	0.80
218_F	246_M	0.625	0.80
261_A	264_P	0.624	0.80
313_S	379_I	0.623	0.80
240_E	291_R	0.623	0.80
275_K	280_P	0.622	0.80
360_A	367_K	0.621	0.80
124_A	142_N	0.619	0.79
204_S	261_A	0.618	0.79
314_K	346_D	0.618	0.79
301_I	443_L	0.616	0.79
100_L	103_G	0.614	0.79
310_I	352_L	0.614	0.79
324_G	414_N	0.614	0.79
338_Y	354_Q	0.613	0.79
438_K	442_A	0.612	0.79
161_P	187_K	0.609	0.78
336_L	362_E	0.609	0.78
225_Y	237_E	0.607	0.78
391_G	394_M	0.606	0.78
236_K	240_E	0.605	0.78
398_V	449_A	0.604	0.78
113_D	154_P	0.603	0.78
258_H	417_M	0.603	0.78
409_S	414_N	0.601	0.77
386_L	428_M	0.600	0.77
369_I	375_A	0.600	0.77
148_L	151_T	0.598	0.77
201_I	208_N	0.598	0.77
410_E	445_Q	0.597	0.77
92_K	96_D	0.597	0.77
257_F	261_A	0.596	0.77
254_F	257_F	0.595	0.77
180_P	202_T	0.594	0.77
385_A	431_V	0.592	0.76
420_Q	425_V	0.592	0.76
424_E	427_M	0.592	0.76
309_S	417_M	0.591	0.76
303_S	385_A	0.591	0.76
432_K	442_A	0.590	0.76
97_L	118_S	0.590	0.76
93_I	97_L	0.589	0.76
191_V	208_N	0.589	0.76
246_M	252_A	0.588	0.76
381_E	432_K	0.588	0.76
114_A	191_V	0.587	0.76
169_R	333_E	0.586	0.76
113_D	150_V	0.586	0.76
247_R	343_S	0.586	0.76
106_S	360_A	0.585	0.75
319_R	324_G	0.582	0.75
392_E	425_V	0.581	0.75
121_D	124_A	0.580	0.75
355_G	358_D	0.580	0.75
405_A	418_I	0.580	0.75
328_L	339_E	0.580	0.75
243_Y	287_V	0.578	0.75
248_E	251_Y	0.578	0.75
142_N	185_F	0.577	0.75
261_A	401_T	0.576	0.74
223_A	237_E	0.576	0.74
411_A	434_A	0.575	0.74
320_E	323_F	0.575	0.74
324_G	339_E	0.574	0.74
121_D	144_K	0.573	0.74
261_A	268_A	0.571	0.74
366_I	375_A	0.570	0.74
157_A	184_G	0.569	0.73
225_Y	228_N	0.568	0.73
153_E	156_N	0.568	0.73
131_F	134_K	0.566	0.73
328_L	341_V	0.565	0.73
314_K	317_M	0.565	0.73
319_R	414_N	0.565	0.73
226_S	235_P	0.564	0.73
330_I	372_D	0.563	0.73
109_E	361_T	0.563	0.73
143_P	194_F	0.561	0.72
304_D	347_D	0.561	0.72
368_R	371_E	0.561	0.72
261_A	265_A	0.560	0.72
414_N	432_K	0.560	0.72
289_S	389_V	0.560	0.72
311_Y	379_I	0.558	0.72
394_M	414_N	0.557	0.72
154_P	173_R	0.557	0.72
309_S	349_T	0.557	0.72
323_F	350_I	0.557	0.72
431_V	436_E	0.554	0.72
113_D	195_S	0.554	0.72
193_T	198_G	0.552	0.71
252_A	261_A	0.551	0.71
394_M	409_S	0.550	0.71
321_I	414_N	0.550	0.71
249_L	440_V	0.550	0.71
224_V	241_L	0.548	0.71
304_D	419_N	0.548	0.71
201_I	252_A	0.547	0.71
121_D	142_N	0.547	0.71
408_L	429_F	0.545	0.70
199_S	220_D	0.543	0.70
121_D	183_F	0.543	0.70
153_E	335_G	0.543	0.70
250_S	286_R	0.539	0.69
117_A	412_Q	0.538	0.69
313_S	346_D	0.537	0.69
268_A	271_P	0.537	0.69
217_N	224_V	0.537	0.69
364_S	374_H	0.536	0.69
312_I	378_V	0.534	0.69
326_R	329_Q	0.530	0.68
193_T	199_S	0.530	0.68
197_S	255_S	0.529	0.68
343_S	354_Q	0.527	0.68
99_T	105_K	0.525	0.67
328_L	343_S	0.524	0.67
205_I	260_E	0.524	0.67
195_S	223_A	0.522	0.67
364_S	377_E	0.522	0.67
217_N	256_V	0.522	0.67
327_A	348_M	0.521	0.67
252_A	342_P	0.520	0.67
299_V	381_E	0.519	0.67
360_A	364_S	0.518	0.66
106_S	109_E	0.517	0.66
154_P	192_I	0.517	0.66
93_I	100_L	0.515	0.66
313_S	376_D	0.515	0.66
164_Y	206_L	0.514	0.66
156_N	335_G	0.512	0.66
223_A	228_N	0.512	0.66
216_E	276_N	0.511	0.65
370_E	378_V	0.511	0.65
361_T	365_V	0.508	0.65
101_L	111_Y	0.508	0.65
97_L	100_L	0.508	0.65
120_E	200_D	0.507	0.65
187_K	281_S	0.507	0.65
405_A	415_I	0.506	0.65
298_V	447_F	0.505	0.64
317_M	349_T	0.505	0.64
223_A	254_F	0.505	0.64
310_I	359_A	0.503	0.64
319_R	346_D	0.503	0.64
375_A	379_I	0.502	0.64
170_L	224_V	0.502	0.64
411_A	439_A	0.502	0.64
148_L	159_V	0.502	0.64
217_N	220_D	0.502	0.64
124_A	128_A	0.501	0.64
146_A	167_L	0.501	0.64
364_S	412_Q	0.501	0.64
220_D	256_V	0.500	0.64
387_I	429_F	0.500	0.64

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
2j0wA	2	0.9537	100	0.244	Contact Map
2cdqA	2	0.9824	100	0.247	Contact Map
3c1mA	3	0.9758	100	0.267	Contact Map
3tviA	2	0.9559	100	0.267	Contact Map
3ab4A	7	0.8282	100	0.333	Contact Map
3l76A	2	0.8568	100	0.336	Contact Map
4ab7A	3	0.7907	100	0.684	Contact Map
2j4jA	5	0.4493	100	0.747	Contact Map
3d2mA	5	0.7533	100	0.749	Contact Map
1ybdA	5	0.467	100	0.754	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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