LEU3 - SULSO - GREMLIN Contacts

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LEU3 - 3-isopropylmalate dehydrogenase

UniProt:	Q9UXB2	Sequences: MTFRVAVIPGDGIGPELYEGSKRIIAKLIEKYNLDIDLIEVEAGDVALNKYGEALPRHTLDVIEKADMILKGPVGETAMDVVVKLRQMYDMYANIRPAKSLPNVQSKYPNVDLVIVRENTEDLYKGFEFVTSTGVTIAIKVTTEFASKRIVNVALNYALMRRRKVTCVHKANVMRVTDGLFASVCREILKGKVNFEEMYVDAAAANLVRDPTRFDVIVTSNVYGDILSDEASQIAGSLGLAPSANIGDRKSMFEPVHGAAFDIAGKGIANPTAFLLSVSMMLSRMYELSKENKYILASKSLENAIIETYKSGNKLTEDVGGSAKLKDMVDEIYKYM	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	336 (318)
Sequences:	6790 (3012)
Seq/√Len:	168.9

ECOLI - IDH DMLA LEU3
BACSU - TTUC LEU3 IDH
HALSA - Q9HNZ7
SULSO - LEU3 Q97WN0

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
159_L	192_K	4.349	1.00
151_V	185_C	3.146	1.00
20_G	329_V	3.085	1.00
152_N	156_N	2.814	1.00
152_N	191_G	2.765	1.00
4_R	37_D	2.748	1.00
202_A	206_N	2.698	1.00
23_R	330_D	2.660	1.00
283_S	302_E	2.639	1.00
26_A	38_L	2.416	1.00
57_R	61_D	2.344	1.00
32_Y	300_S	2.310	1.00
144_E	148_K	2.310	1.00
18_Y	274_F	2.297	1.00
331_E	334_K	2.295	1.00
7_V	22_K	2.263	1.00
20_G	23_R	2.261	1.00
41_V	62_V	2.156	1.00
164_K	196_E	2.129	1.00
166_T	196_E	2.124	1.00
185_C	195_F	2.111	1.00
283_S	299_K	2.105	1.00
53_E	57_R	2.040	1.00
42_E	50_K	2.021	1.00
6_A	62_V	2.015	1.00
272_T	332_I	1.995	1.00
114_V	157_Y	1.995	1.00
148_K	187_E	1.982	1.00
276_L	305_I	1.973	1.00
22_K	40_E	1.963	1.00
164_K	194_N	1.944	1.00
151_V	218_V	1.943	1.00
64_E	89_Y	1.939	1.00
148_K	184_V	1.907	1.00
210_D	213_R	1.884	1.00
267_G	324_K	1.866	1.00
267_G	326_K	1.843	1.00
299_K	303_N	1.797	1.00
186_R	197_E	1.797	1.00
47_A	56_P	1.796	1.00
61_D	65_K	1.795	1.00
275_L	332_I	1.795	1.00
15_P	19_E	1.787	1.00
13_I	269_A	1.786	1.00
144_E	187_E	1.748	1.00
148_K	152_N	1.743	1.00
134_G	144_E	1.742	1.00
329_V	333_Y	1.733	1.00
99_K	306_I	1.691	1.00
279_S	302_E	1.680	1.00
168_V	203_A	1.679	1.00
314_K	331_E	1.669	1.00
314_K	323_A	1.667	1.00
64_E	88_M	1.644	1.00
184_V	187_E	1.624	1.00
140_K	220_S	1.609	1.00
152_N	188_I	1.552	1.00
155_L	189_L	1.534	1.00
330_D	334_K	1.532	1.00
253_F	285_M	1.531	1.00
6_A	66_A	1.522	1.00
156_N	160_M	1.519	1.00
102_P	310_K	1.519	1.00
61_D	64_E	1.499	1.00
324_K	327_D	1.498	1.00
21_S	278_V	1.494	1.00
116_V	153_V	1.492	1.00
39_I	65_K	1.492	1.00
106_S	109_P	1.489	1.00
130_V	183_S	1.485	1.00
60_L	88_M	1.484	1.00
46_V	50_K	1.478	1.00
34_L	297_A	1.470	1.00
95_I	114_V	1.470	1.00
208_V	230_E	1.465	1.00
23_R	333_Y	1.458	1.00
167_C	185_C	1.453	1.00
38_L	278_V	1.438	1.00
8_I	43_A	1.435	1.00
84_K	88_M	1.426	1.00
6_A	41_V	1.426	1.00
283_S	298_S	1.421	1.00
25_I	36_I	1.394	1.00
22_K	26_A	1.389	1.00
162_R	215_D	1.389	1.00
140_K	177_T	1.387	1.00
39_I	66_A	1.383	1.00
27_K	333_Y	1.381	1.00
268_I	317_E	1.356	1.00
267_G	325_L	1.351	1.00
9_P	40_E	1.350	1.00
115_I	228_S	1.340	1.00
42_E	51_Y	1.328	1.00
103_N	310_K	1.321	1.00
21_S	70_L	1.320	1.00
289_S	299_K	1.307	1.00
272_T	328_M	1.285	1.00
323_A	331_E	1.283	1.00
198_M	206_N	1.278	1.00
55_L	60_L	1.278	1.00
42_E	47_A	1.277	1.00
204_A	227_L	1.272	1.00
308_T	331_E	1.251	1.00
163_R	215_D	1.244	1.00
21_S	274_F	1.239	1.00
39_I	62_V	1.230	1.00
116_V	157_Y	1.227	1.00
167_C	197_E	1.227	1.00
156_N	159_L	1.226	1.00
188_I	191_G	1.207	1.00
323_A	327_D	1.207	1.00
180_L	184_V	1.206	1.00
22_K	38_L	1.199	1.00
4_R	39_I	1.194	1.00
198_M	202_A	1.194	1.00
187_E	190_K	1.190	1.00
282_L	297_A	1.190	1.00
63_I	69_I	1.184	1.00
328_M	332_I	1.183	1.00
148_K	188_I	1.181	1.00
151_V	188_I	1.171	1.00
198_M	214_F	1.165	1.00
327_D	330_D	1.164	1.00
47_A	51_Y	1.160	1.00
198_M	203_A	1.158	1.00
115_I	231_A	1.156	1.00
186_R	190_K	1.153	1.00
303_N	307_E	1.146	1.00
207_L	217_I	1.133	1.00
144_E	184_V	1.132	1.00
113_L	207_L	1.125	1.00
183_S	187_E	1.124	1.00
24_I	301_L	1.118	1.00
138_A	177_T	1.113	1.00
51_Y	58_H	1.113	1.00
204_A	230_E	1.109	1.00
105_Q	109_P	1.105	1.00
110_N	212_T	1.098	1.00
161_R	215_D	1.097	1.00
7_V	40_E	1.087	1.00
288_L	297_A	1.084	1.00
6_A	63_I	1.082	1.00
25_I	278_V	1.081	1.00
147_S	151_V	1.077	1.00
155_L	193_V	1.076	1.00
92_Y	248_D	1.074	1.00
133_T	145_F	1.068	1.00
200_V	226_I	1.067	1.00
135_V	141_V	1.059	0.99
263_I	269_A	1.059	0.99
70_L	278_V	1.056	0.99
165_V	195_F	1.050	0.99
136_T	180_L	1.049	0.99
267_G	327_D	1.049	0.99
95_I	116_V	1.049	0.99
90_D	149_R	1.043	0.99
159_L	163_R	1.041	0.99
99_K	112_D	1.037	0.99
128_E	139_I	1.033	0.99
19_E	23_R	1.029	0.99
171_A	182_A	1.026	0.99
307_E	311_S	1.022	0.99
23_R	326_K	1.020	0.99
157_Y	161_R	1.015	0.99
123_L	140_K	1.014	0.99
20_G	326_K	1.013	0.99
168_V	200_V	1.010	0.99
23_R	329_V	1.010	0.99
206_N	213_R	1.008	0.99
119_N	245_N	1.003	0.99
71_K	82_V	1.000	0.99
49_N	78_A	0.997	0.99
287_E	297_A	0.995	0.99
99_K	302_E	0.995	0.99
4_R	65_K	0.993	0.99
56_P	59_T	0.992	0.99
93_A	150_I	0.987	0.99
196_E	213_R	0.978	0.99
123_L	220_S	0.977	0.99
209_R	233_Q	0.975	0.99
142_T	220_S	0.974	0.99
58_H	61_D	0.974	0.99
272_T	309_Y	0.969	0.99
53_E	84_K	0.963	0.99
21_S	275_L	0.962	0.99
47_A	59_T	0.960	0.99
154_A	165_V	0.960	0.99
105_Q	108_Y	0.960	0.99
113_L	231_A	0.957	0.99
272_T	305_I	0.951	0.99
185_C	218_V	0.947	0.99
7_V	18_Y	0.945	0.99
122_D	140_K	0.943	0.99
145_F	148_K	0.939	0.99
263_I	268_I	0.936	0.99
317_E	322_S	0.935	0.99
311_S	314_K	0.935	0.99
169_H	182_A	0.934	0.99
165_V	188_I	0.930	0.99
297_A	300_S	0.930	0.99
268_I	322_S	0.924	0.99
43_A	85_L	0.923	0.99
299_K	302_E	0.921	0.99
9_P	19_E	0.920	0.99
189_L	195_F	0.920	0.99
276_L	302_E	0.919	0.99
155_L	165_V	0.915	0.98
24_I	333_Y	0.915	0.98
101_L	306_I	0.913	0.98
206_N	210_D	0.911	0.98
32_Y	297_A	0.910	0.98
281_M	286_Y	0.909	0.98
142_T	147_S	0.904	0.98
140_K	178_D	0.904	0.98
165_V	218_V	0.901	0.98
255_P	274_F	0.900	0.98
24_I	275_L	0.896	0.98
17_L	274_F	0.895	0.98
263_I	317_E	0.892	0.98
49_N	76_E	0.884	0.98
165_V	216_V	0.883	0.98
309_Y	315_L	0.880	0.98
103_N	306_I	0.876	0.98
41_V	66_A	0.875	0.98
247_G	250_K	0.873	0.98
122_D	220_S	0.872	0.98
279_S	283_S	0.870	0.98
58_H	62_V	0.867	0.98
320_G	323_A	0.865	0.98
41_V	59_T	0.858	0.98
167_C	195_F	0.857	0.98
178_D	223_Y	0.856	0.98
20_G	267_G	0.856	0.98
129_F	137_I	0.855	0.98
95_I	153_V	0.855	0.98
307_E	310_K	0.854	0.98
43_A	81_V	0.849	0.98
7_V	38_L	0.845	0.97
20_G	330_D	0.841	0.97
62_V	66_A	0.841	0.97
168_V	217_I	0.840	0.97
278_V	281_M	0.838	0.97
262_D	317_E	0.835	0.97
304_A	308_T	0.832	0.97
98_A	231_A	0.831	0.97
169_H	197_E	0.831	0.97
135_V	143_T	0.830	0.97
93_A	153_V	0.828	0.97
159_L	193_V	0.825	0.97
275_L	305_I	0.820	0.97
308_T	332_I	0.820	0.97
43_A	71_K	0.817	0.97
34_L	288_L	0.815	0.97
68_M	285_M	0.814	0.97
244_A	253_F	0.813	0.97
73_P	257_H	0.811	0.97
102_P	306_I	0.803	0.97
165_V	189_L	0.802	0.97
286_Y	289_S	0.801	0.97
171_A	199_Y	0.798	0.96
45_D	76_E	0.796	0.96
323_A	328_M	0.794	0.96
148_K	191_G	0.793	0.96
317_E	324_K	0.793	0.96
166_T	198_M	0.792	0.96
165_V	193_V	0.785	0.96
123_L	222_V	0.784	0.96
19_E	326_K	0.780	0.96
25_I	282_L	0.780	0.96
48_L	54_A	0.777	0.96
94_N	256_V	0.776	0.96
79_M	84_K	0.775	0.96
98_A	235_A	0.774	0.96
21_S	25_I	0.772	0.96
18_Y	72_G	0.771	0.96
36_I	278_V	0.769	0.96
90_D	120_T	0.769	0.96
168_V	227_L	0.768	0.96
17_L	72_G	0.768	0.96
154_A	218_V	0.765	0.95
316_T	328_M	0.761	0.95
278_V	282_L	0.758	0.95
266_K	317_E	0.757	0.95
187_E	191_G	0.756	0.95
140_K	222_V	0.752	0.95
42_E	46_V	0.751	0.95
303_N	306_I	0.750	0.95
8_I	63_I	0.749	0.95
91_M	252_M	0.748	0.95
16_E	265_G	0.748	0.95
242_P	280_M	0.746	0.95
151_V	195_F	0.744	0.95
184_V	188_I	0.744	0.95
200_V	204_A	0.743	0.95
60_L	64_E	0.741	0.95
136_T	177_T	0.741	0.95
70_L	274_F	0.741	0.95
156_N	191_G	0.736	0.94
144_E	180_L	0.733	0.94
207_L	231_A	0.733	0.94
186_R	195_F	0.730	0.94
242_P	276_L	0.728	0.94
62_V	65_K	0.725	0.94
121_E	146_A	0.723	0.94
64_E	250_K	0.718	0.94
130_V	136_T	0.714	0.94
45_D	49_N	0.713	0.93
128_E	137_I	0.710	0.93
155_L	195_F	0.710	0.93
200_V	220_S	0.709	0.93
330_D	333_Y	0.709	0.93
112_D	215_D	0.707	0.93
19_E	40_E	0.704	0.93
260_A	263_I	0.703	0.93
45_D	75_G	0.702	0.93
41_V	58_H	0.702	0.93
153_V	157_Y	0.702	0.93
20_G	333_Y	0.702	0.93
73_P	274_F	0.702	0.93
113_L	234_I	0.698	0.93
98_A	113_L	0.697	0.93
203_A	217_I	0.693	0.92
140_K	223_Y	0.692	0.92
115_I	227_L	0.692	0.92
116_V	150_I	0.691	0.92
147_S	184_V	0.690	0.92
326_K	330_D	0.689	0.92
182_A	186_R	0.688	0.92
75_G	259_A	0.688	0.92
203_A	214_F	0.688	0.92
308_T	328_M	0.686	0.92
150_I	218_V	0.686	0.92
326_K	329_V	0.686	0.92
281_M	285_M	0.685	0.92
183_S	190_K	0.685	0.92
138_A	179_G	0.681	0.92
76_E	80_D	0.675	0.91
262_D	269_A	0.674	0.91
25_I	38_L	0.673	0.91
202_A	238_L	0.672	0.91
312_G	315_L	0.669	0.91
132_S	135_V	0.667	0.91
20_G	275_L	0.667	0.91
321_G	327_D	0.666	0.91
186_R	189_L	0.666	0.91
275_L	301_L	0.663	0.91
18_Y	21_S	0.663	0.91
34_L	287_E	0.662	0.91
134_G	183_S	0.661	0.91
169_H	199_Y	0.661	0.91
5_V	281_M	0.661	0.91
23_R	26_A	0.658	0.90
244_A	280_M	0.657	0.90
283_S	288_L	0.650	0.90
57_R	84_K	0.649	0.90
69_I	252_M	0.647	0.90
46_V	49_N	0.646	0.90
246_I	284_R	0.646	0.90
167_C	181_F	0.644	0.89
206_N	209_R	0.641	0.89
168_V	219_T	0.637	0.89
316_T	319_V	0.634	0.89
189_L	193_V	0.634	0.89
253_F	284_R	0.633	0.89
315_L	319_V	0.633	0.89
170_K	201_D	0.631	0.89
308_T	314_K	0.630	0.88
237_S	273_A	0.629	0.88
101_L	276_L	0.626	0.88
59_T	81_V	0.624	0.88
18_Y	22_K	0.624	0.88
306_I	310_K	0.623	0.88
147_S	220_S	0.622	0.88
55_L	85_L	0.622	0.88
5_V	36_I	0.622	0.88
300_S	304_A	0.621	0.88
115_I	217_I	0.621	0.88
298_S	302_E	0.620	0.88
72_G	274_F	0.609	0.87
100_S	111_V	0.607	0.87
81_V	84_K	0.607	0.87
242_P	273_A	0.604	0.86
80_D	84_K	0.604	0.86
256_V	273_A	0.602	0.86
159_L	189_L	0.598	0.86
134_G	145_F	0.596	0.86
114_V	216_V	0.595	0.85
146_A	149_R	0.592	0.85
114_V	161_R	0.590	0.85
153_V	248_D	0.589	0.85
67_D	249_R	0.589	0.85
25_I	301_L	0.587	0.85
208_V	234_I	0.584	0.84
90_D	247_G	0.583	0.84
282_L	301_L	0.583	0.84
43_A	55_L	0.582	0.84
36_I	297_A	0.581	0.84
269_A	317_E	0.581	0.84
8_I	41_V	0.581	0.84
240_L	319_V	0.581	0.84
90_D	145_F	0.580	0.84
53_E	58_H	0.580	0.84
282_L	298_S	0.579	0.84
63_I	66_A	0.574	0.83
178_D	220_S	0.574	0.83
158_A	165_V	0.573	0.83
202_A	213_R	0.572	0.83
111_V	212_T	0.572	0.83
19_E	22_K	0.570	0.83
163_R	192_K	0.569	0.83
137_I	141_V	0.567	0.83
153_V	156_N	0.566	0.83
47_A	55_L	0.566	0.83
160_M	287_E	0.564	0.82
5_V	38_L	0.563	0.82
138_A	174_M	0.562	0.82
63_I	85_L	0.561	0.82
135_V	144_E	0.559	0.82
124_Y	254_E	0.558	0.82
90_D	121_E	0.556	0.81
156_N	188_I	0.554	0.81
127_F	139_I	0.554	0.81
127_F	141_V	0.554	0.81
55_L	84_K	0.553	0.81
275_L	329_V	0.552	0.81
314_K	328_M	0.550	0.81
267_G	330_D	0.548	0.80
43_A	59_T	0.547	0.80
130_V	175_R	0.547	0.80
6_A	39_I	0.546	0.80
15_P	46_V	0.544	0.80
21_S	24_I	0.543	0.80
288_L	299_K	0.542	0.80
71_K	76_E	0.541	0.80
251_S	284_R	0.539	0.79
42_E	58_H	0.537	0.79
250_K	253_F	0.536	0.79
112_D	162_R	0.536	0.79
63_I	89_Y	0.536	0.79
237_S	240_L	0.535	0.79
9_P	22_K	0.535	0.79
247_G	251_S	0.533	0.79
114_V	162_R	0.533	0.79
92_Y	150_I	0.533	0.79
151_V	184_V	0.527	0.78
40_E	46_V	0.527	0.78
228_S	238_L	0.526	0.78
13_I	17_L	0.524	0.77
32_Y	301_L	0.523	0.77
322_S	327_D	0.522	0.77
16_E	267_G	0.522	0.77
225_D	229_D	0.522	0.77
203_A	227_L	0.521	0.77
302_E	306_I	0.520	0.77
116_V	154_A	0.520	0.77
220_S	223_Y	0.516	0.76
18_Y	70_L	0.515	0.76
157_Y	160_M	0.515	0.76
315_L	323_A	0.514	0.76
263_I	266_K	0.514	0.76
279_S	298_S	0.513	0.76
60_L	84_K	0.513	0.76
155_L	188_I	0.512	0.76
299_K	306_I	0.512	0.76
130_V	134_G	0.510	0.76
9_P	15_P	0.509	0.75
155_L	185_C	0.509	0.75
47_A	50_K	0.509	0.75
245_N	254_E	0.509	0.75
136_T	220_S	0.508	0.75
246_I	251_S	0.505	0.75
92_Y	153_V	0.503	0.75
126_G	174_M	0.503	0.75
300_S	303_N	0.500	0.74
41_V	56_P	0.500	0.74
325_L	329_V	0.500	0.74
71_K	85_L	0.500	0.74

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
1wpwA	4	0.997	100	0.024	Contact Map
2d1cA	2	0.9673	100	0.043	Contact Map
3flkA	3	0.9881	100	0.043	Contact Map
3u1hA	2	0.9524	100	0.045	Contact Map
2y3zA	2	0.9673	100	0.046	Contact Map
2e0cA	2	0.9643	100	0.047	Contact Map
1x0lA	4	0.9554	100	0.049	Contact Map
3dmsA	2	0.9762	100	0.049	Contact Map
2d4vA	2	0.9762	100	0.051	Contact Map
1tyoA	2	0.9732	100	0.052	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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