ILVE1 - BACSU - GREMLIN Contacts

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ILVE1 - Branched-chain-amino-acid transaminase 1

UniProt:	O31461	Sequences: MNKLIEREKTVYYKEKPDPSSLGFGQYFTDYMFVMDYEEGIGWHHPRIAPYAPLTLDPSSSVFHYGQAVFEGLKAYRTDDGRVLLFRPDQNIKRLNRSCERMSMPPLDEELVLEALTQLVELEKDWVPKEKGTSLYIRPFVIATEPSLGVKASRSYTFMIVLSPVGSYYGDDQLKPVRIYVEDEYVRAVNGGVGFAKTAGNYAASLQAQRKANELGYDQVLWLDAIEKKYVEEVGSMNIFFVINGEAVTPALSGSILSGVTRASAIELIRSWGIPVREERISIDEVYAASARGELTEVFGTGTAAVVTPVGELNIHGKTVIVGDGQIGDLSKKLYETITDIQLGKVKGPFNWTVEV	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	356 (280)
Sequences:	6295 (3661)
Seq/√Len:	218.8

ECOLI - ILVE PABC
BACSU - ILVE1 ILVE2 PABC DAAA
HALSA - Q9HNF8 Q9HS64

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
246_E	277_R	4.591	1.00
178_R	312_E	4.289	1.00
246_E	275_P	3.650	1.00
93_K	109_E	3.578	1.00
279_E	285_E	3.403	1.00
96_N	109_E	3.021	1.00
247_A	269_I	2.999	1.00
48_I	122_L	2.959	1.00
68_A	199_A	2.883	1.00
336_E	340_D	2.697	1.00
118_Q	122_L	2.577	1.00
340_D	345_K	2.547	1.00
258_S	263_A	2.458	1.00
272_W	337_T	2.419	1.00
248_V	279_E	2.390	1.00
108_D	111_L	2.388	1.00
118_Q	121_E	2.352	1.00
230_Y	280_R	2.351	1.00
114_E	118_Q	2.331	1.00
266_I	276_V	2.236	1.00
90_Q	263_A	2.213	1.00
272_W	333_K	2.199	1.00
263_A	267_E	2.136	1.00
298_V	310_V	2.053	1.00
242_V	330_L	2.046	1.00
51_Y	57_D	2.045	1.00
95_L	141_V	2.019	1.00
100_E	106_P	2.003	1.00
99_C	141_V	1.960	1.00
243_I	296_T	1.917	1.00
76_Y	306_V	1.906	1.00
332_K	336_E	1.882	1.00
103_S	214_E	1.874	1.00
180_Y	215_L	1.865	1.00
69_V	98_S	1.852	1.00
267_E	271_S	1.774	1.00
93_K	97_R	1.742	1.00
89_D	113_L	1.742	1.00
104_M	141_V	1.736	1.00
78_T	84_L	1.725	1.00
247_A	274_I	1.696	1.00
115_A	158_F	1.680	1.00
69_V	99_C	1.674	1.00
50_P	53_P	1.626	1.00
333_K	337_T	1.622	1.00
179_I	221_L	1.598	1.00
337_T	340_D	1.589	1.00
181_V	283_I	1.583	1.00
45_H	157_T	1.580	1.00
239_I	298_V	1.580	1.00
265_A	301_T	1.564	1.00
62_V	68_A	1.547	1.00
88_P	113_L	1.540	1.00
132_G	135_L	1.527	1.00
177_V	218_D	1.523	1.00
114_E	117_T	1.521	1.00
245_G	296_T	1.520	1.00
87_R	264_S	1.495	1.00
187_R	190_N	1.492	1.00
238_N	259_G	1.486	1.00
298_V	313_L	1.473	1.00
274_I	330_L	1.463	1.00
325_G	328_G	1.455	1.00
115_A	160_I	1.454	1.00
312_E	321_I	1.453	1.00
104_M	156_Y	1.433	1.00
234_V	300_G	1.425	1.00
43_W	107_L	1.422	1.00
262_R	278_E	1.420	1.00
90_Q	93_K	1.405	1.00
230_Y	282_S	1.405	1.00
180_Y	217_Y	1.402	1.00
211_K	215_L	1.372	1.00
140_F	159_M	1.366	1.00
251_A	280_R	1.366	1.00
179_I	234_V	1.361	1.00
75_A	120_V	1.359	1.00
69_V	95_L	1.355	1.00
89_D	93_K	1.353	1.00
97_R	100_E	1.349	1.00
119_L	160_I	1.343	1.00
269_I	334_L	1.341	1.00
88_P	92_I	1.326	1.00
333_K	336_E	1.318	1.00
137_I	162_L	1.311	1.00
110_E	114_E	1.297	1.00
97_R	258_S	1.263	1.00
67_Q	143_A	1.261	1.00
178_R	218_D	1.254	1.00
221_L	239_I	1.245	1.00
181_V	314_N	1.242	1.00
327_I	332_K	1.239	1.00
243_I	248_V	1.228	1.00
117_T	121_E	1.221	1.00
92_I	113_L	1.218	1.00
240_F	299_F	1.212	1.00
184_E	211_K	1.208	1.00
116_L	160_I	1.200	1.00
225_A	228_K	1.198	1.00
87_R	90_Q	1.190	1.00
112_V	158_F	1.188	1.00
85_L	88_P	1.182	1.00
252_L	258_S	1.174	1.00
92_I	116_L	1.156	1.00
113_L	117_T	1.152	1.00
96_N	106_P	1.152	1.00
231_V	241_F	1.149	1.00
48_I	119_L	1.146	1.00
179_I	310_V	1.138	1.00
242_V	247_A	1.137	1.00
270_R	278_E	1.131	1.00
249_T	262_R	1.128	1.00
77_R	133_T	1.119	1.00
312_E	315_I	1.116	1.00
141_V	158_F	1.115	1.00
176_P	311_G	1.110	1.00
250_P	281_I	1.109	1.00
210_R	214_E	1.098	1.00
75_A	135_L	1.094	1.00
284_D	288_A	1.091	1.00
217_Y	314_N	1.083	1.00
248_V	277_R	1.083	1.00
171_D	175_K	1.080	1.00
234_V	237_M	1.078	1.00
287_Y	316_H	1.076	1.00
111_L	114_E	1.074	1.00
322_V	325_G	1.069	1.00
97_R	195_F	1.068	1.00
85_L	117_T	1.062	1.00
241_F	298_V	1.061	1.00
245_G	275_P	1.059	1.00
221_L	286_V	1.058	1.00
96_N	112_V	1.054	1.00
85_L	116_L	1.053	1.00
240_F	266_I	1.048	1.00
90_Q	267_E	1.045	1.00
63_F	142_I	1.042	1.00
120_V	135_L	1.041	1.00
89_D	109_E	1.040	1.00
116_L	137_I	1.033	1.00
297_E	328_G	1.029	1.00
266_I	270_R	1.026	1.00
241_F	289_A	1.024	1.00
302_G	305_A	1.017	1.00
269_I	276_V	1.017	1.00
185_Y	190_N	1.013	1.00
224_D	255_S	1.008	1.00
229_K	284_D	1.006	1.00
300_G	310_V	1.002	1.00
269_I	274_I	1.001	1.00
151_K	154_R	0.994	1.00
119_L	162_L	0.984	1.00
183_D	316_H	0.983	1.00
53_P	57_D	0.982	1.00
178_R	311_G	0.977	1.00
240_F	301_T	0.972	1.00
92_I	109_E	0.968	1.00
60_S	146_P	0.968	1.00
187_R	191_G	0.957	1.00
64_H	161_V	0.956	1.00
241_F	281_I	0.949	1.00
270_R	275_P	0.948	1.00
329_D	332_K	0.945	1.00
42_G	51_Y	0.942	1.00
119_L	123_E	0.942	1.00
215_L	314_N	0.939	1.00
69_V	141_V	0.925	0.99
281_I	285_E	0.921	0.99
90_Q	260_V	0.920	0.99
43_W	48_I	0.911	0.99
107_L	115_A	0.908	0.99
224_D	230_Y	0.906	0.99
92_I	112_V	0.905	0.99
98_S	196_A	0.902	0.99
224_D	228_K	0.901	0.99
244_N	296_T	0.899	0.99
70_F	202_Y	0.899	0.99
243_I	289_A	0.896	0.99
242_V	296_T	0.894	0.99
187_R	192_G	0.893	0.99
109_E	113_L	0.892	0.99
254_G	280_R	0.891	0.99
72_G	302_G	0.885	0.99
335_Y	339_T	0.885	0.99
96_N	100_E	0.882	0.99
107_L	111_L	0.880	0.99
54_L	159_M	0.880	0.99
48_I	115_A	0.875	0.99
47_R	55_T	0.872	0.99
248_V	285_E	0.872	0.99
179_I	300_G	0.870	0.99
209_Q	213_N	0.868	0.99
92_I	96_N	0.865	0.99
251_A	279_E	0.864	0.99
144_T	157_T	0.861	0.99
329_D	333_K	0.858	0.99
43_W	115_A	0.853	0.99
240_F	262_R	0.853	0.99
186_V	189_V	0.848	0.99
68_A	200_G	0.846	0.99
56_L	60_S	0.845	0.99
208_A	220_V	0.839	0.99
107_L	158_F	0.830	0.99
271_S	337_T	0.827	0.99
62_V	199_A	0.826	0.99
268_L	272_W	0.816	0.99
101_R	196_A	0.810	0.99
102_M	198_T	0.808	0.99
58_P	159_M	0.806	0.99
265_A	334_L	0.806	0.99
241_F	286_V	0.802	0.99
75_A	85_L	0.799	0.98
248_V	281_I	0.798	0.98
102_M	203_A	0.798	0.98
177_V	308_T	0.794	0.98
211_K	214_E	0.793	0.98
93_K	96_N	0.789	0.98
88_P	116_L	0.789	0.98
49_A	52_A	0.789	0.98
85_L	137_I	0.784	0.98
86_F	264_S	0.781	0.98
89_D	110_E	0.779	0.98
100_E	105_P	0.778	0.98
267_E	270_R	0.777	0.98
73_L	116_L	0.773	0.98
60_S	144_T	0.769	0.98
268_L	337_T	0.769	0.98
241_F	248_V	0.763	0.98
74_K	303_T	0.763	0.98
265_A	307_V	0.762	0.98
262_R	266_I	0.761	0.98
175_K	326_Q	0.758	0.98
54_L	58_P	0.758	0.98
51_Y	59_S	0.744	0.98
72_G	304_A	0.743	0.98
208_A	222_W	0.743	0.98
231_V	281_I	0.741	0.97
243_I	285_E	0.741	0.97
298_V	322_V	0.739	0.97
249_T	278_E	0.737	0.97
187_R	193_V	0.732	0.97
252_L	262_R	0.727	0.97
287_Y	315_I	0.727	0.97
307_V	331_S	0.724	0.97
73_L	88_P	0.723	0.97
123_E	162_L	0.722	0.97
297_E	331_S	0.720	0.97
247_A	330_L	0.719	0.97
60_S	142_I	0.718	0.97
144_T	155_S	0.714	0.97
198_T	203_A	0.707	0.97
219_Q	235_G	0.705	0.97
332_K	335_Y	0.704	0.97
67_Q	206_L	0.703	0.97
269_I	272_W	0.700	0.96
44_H	159_M	0.700	0.96
330_L	333_K	0.699	0.96
173_Q	176_P	0.699	0.96
178_R	217_Y	0.698	0.96
59_S	161_V	0.697	0.96
116_L	139_P	0.692	0.96
152_A	210_R	0.687	0.96
311_G	327_I	0.687	0.96
55_T	58_P	0.682	0.96
119_L	122_L	0.680	0.96
309_P	328_G	0.680	0.96
219_Q	237_M	0.679	0.96
239_I	250_P	0.679	0.96
64_H	140_F	0.677	0.96
101_R	195_F	0.677	0.96
183_D	315_I	0.675	0.96
210_R	213_N	0.670	0.95
142_I	159_M	0.668	0.95
61_S	143_A	0.668	0.95
193_V	200_G	0.667	0.95
69_V	102_M	0.665	0.95
148_L	152_A	0.663	0.95
44_H	54_L	0.662	0.95
289_A	296_T	0.656	0.95
209_Q	219_Q	0.656	0.95
228_K	280_R	0.653	0.95
245_G	274_I	0.652	0.95
134_S	343_L	0.649	0.95
77_R	134_S	0.648	0.95
194_G	224_D	0.647	0.95
253_S	280_R	0.646	0.95
46_P	115_A	0.645	0.94
268_L	334_L	0.644	0.94
62_V	142_I	0.644	0.94
221_L	298_V	0.642	0.94
286_V	313_L	0.640	0.94
249_T	299_F	0.639	0.94
221_L	313_L	0.635	0.94
75_A	137_I	0.635	0.94
186_V	228_K	0.635	0.94
184_E	193_V	0.634	0.94
328_G	331_S	0.633	0.94
306_V	339_T	0.633	0.94
87_R	267_E	0.631	0.94
249_T	256_I	0.628	0.94
307_V	334_L	0.628	0.94
181_V	315_I	0.627	0.94
223_L	283_I	0.623	0.93
185_Y	188_A	0.623	0.93
289_A	298_V	0.623	0.93
173_Q	335_Y	0.622	0.93
328_G	332_K	0.622	0.93
48_I	118_Q	0.621	0.93
286_V	298_V	0.616	0.93
287_Y	314_N	0.615	0.93
237_M	305_A	0.614	0.93
142_I	157_T	0.614	0.93
72_G	136_Y	0.612	0.93
177_V	300_G	0.612	0.93
264_S	338_I	0.611	0.93
240_F	249_T	0.610	0.93
174_L	332_K	0.609	0.93
68_A	142_I	0.607	0.93
182_E	211_K	0.607	0.93
259_G	262_R	0.605	0.92
185_Y	193_V	0.604	0.92
100_E	207_Q	0.604	0.92
104_M	143_A	0.602	0.92
180_Y	314_N	0.601	0.92
61_S	67_Q	0.597	0.92
73_L	139_P	0.596	0.92
135_L	162_L	0.594	0.92
65_Y	138_R	0.593	0.92
150_V	205_S	0.591	0.92
271_S	341_I	0.590	0.91
97_R	101_R	0.590	0.91
69_V	198_T	0.589	0.91
76_Y	86_F	0.589	0.91
60_S	199_A	0.589	0.91
284_D	287_Y	0.589	0.91
145_E	155_S	0.589	0.91
247_A	299_F	0.589	0.91
99_C	104_M	0.587	0.91
259_G	301_T	0.586	0.91
131_K	345_K	0.581	0.91
248_V	296_T	0.581	0.91
323_G	326_Q	0.579	0.91
59_S	64_H	0.577	0.91
282_S	285_E	0.576	0.90
188_A	193_V	0.574	0.90
243_I	288_A	0.573	0.90
188_A	192_G	0.572	0.90
306_V	338_I	0.569	0.90
231_V	239_I	0.569	0.90
136_Y	139_P	0.566	0.90
264_S	341_I	0.565	0.90
57_D	146_P	0.564	0.90
197_K	257_L	0.564	0.90
171_D	218_D	0.564	0.90
188_A	191_G	0.564	0.90
262_R	299_F	0.562	0.89
306_V	342_Q	0.561	0.89
277_R	285_E	0.561	0.89
138_R	202_Y	0.560	0.89
233_E	257_L	0.559	0.89
299_F	331_S	0.558	0.89
240_F	247_A	0.558	0.89
321_I	324_D	0.555	0.89
110_E	113_L	0.554	0.89
274_I	333_K	0.553	0.89
337_T	341_I	0.551	0.88
170_G	173_Q	0.550	0.88
48_I	123_E	0.549	0.88
57_D	64_H	0.549	0.88
242_V	331_S	0.549	0.88
197_K	233_E	0.548	0.88
323_G	327_I	0.548	0.88
68_A	140_F	0.545	0.88
151_K	213_N	0.541	0.88
243_I	246_E	0.541	0.88
114_E	121_E	0.540	0.87
63_F	140_F	0.538	0.87
183_D	211_K	0.538	0.87
169_Y	173_Q	0.537	0.87
238_N	258_S	0.535	0.87
229_K	282_S	0.532	0.87
87_R	263_A	0.530	0.86
71_E	95_L	0.530	0.86
266_I	278_E	0.530	0.86
175_K	218_D	0.529	0.86
103_S	207_Q	0.529	0.86
149_G	206_L	0.527	0.86
220_V	235_G	0.526	0.86
239_I	286_V	0.526	0.86
181_V	313_L	0.526	0.86
61_S	151_K	0.526	0.86
85_L	120_V	0.526	0.86
242_V	297_E	0.525	0.86
49_A	54_L	0.525	0.86
321_I	325_G	0.524	0.86
324_D	329_D	0.523	0.86
219_Q	234_V	0.523	0.86
103_S	210_R	0.520	0.85
240_F	278_E	0.519	0.85
152_A	207_Q	0.518	0.85
148_L	151_K	0.517	0.85
96_N	108_D	0.517	0.85
149_G	152_A	0.517	0.85
195_F	254_G	0.517	0.85
340_D	343_L	0.515	0.85
182_E	220_V	0.514	0.85
238_N	301_T	0.513	0.85
192_G	255_S	0.513	0.85
324_D	327_I	0.512	0.85
197_K	202_Y	0.510	0.84
285_E	289_A	0.509	0.84
140_F	199_A	0.508	0.84
272_W	334_L	0.507	0.84
209_Q	236_S	0.505	0.84
65_Y	71_E	0.503	0.83
189_V	225_A	0.502	0.83
187_R	194_G	0.502	0.83
143_A	206_L	0.502	0.83
217_Y	312_E	0.502	0.83
73_L	85_L	0.500	0.83

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
2coiA	2	0.9719	100	0.163	Contact Map
5bwxA	2	0.9803	100	0.174	Contact Map
3dtgA	2	0.9888	100	0.179	Contact Map
3uzoA	2	0.927	100	0.219	Contact Map
4dqnA	2	0.9382	100	0.238	Contact Map
3u0gA	5	0.8539	100	0.29	Contact Map
1iyeA	5	0.8399	100	0.294	Contact Map
2eiyA	5	0.8427	100	0.302	Contact Map
4chiA	2	0.8736	100	0.306	Contact Map
4cmfA	4	0.8736	100	0.307	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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