Q9HNZ7 - HALSA - GREMLIN Contacts

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Q9HNZ7 - Isocitrate dehydrogenase, NADP

UniProt:	Q9HNZ7	Sequences: MSYDKIEVPEGGAKVSYDEAADELDVPDTPIIPIIHGDGIGKDVGPIAQDVLSAAAEATGHDIEWMEVYAGESAREMYDENLPEETVEAIREHRVAIKGPLTTPVGAGFRSLNVALRQTLDLYANVRPTYYLDGVPSPMKAPEEMDMVTFRENTEDVYAGIEWEAGTDEAEQVRSFVEDEMDFDDVMHDGDIGIGLKPISEKGSKRLVREAIDYAIENDRDTVTLVHKGNIMKFTEGQFGDWGMEVAEEEYPDDEVFAAPDSLWEEQDEVDIPEDAVMVEERLADAMLQWMQLRTDEFDVLAMPNLNGDYLSDAAGAQIGGLGIAPGANFGAGRCLAEPVHGSAPKRAGQDKANPTALILSGRLLFEYIGWDDASTLVRDAVEDTIESGTVTYDLARQRDDAEEVSSTTYAEAVIDRIEDLA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	422 (338)
Sequences:	7005 (3021)
Seq/√Len:	164.3

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

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
216_I	253_D	4.261	1.00
209_R	250_E	3.978	1.00
208_V	243_G	3.111	1.00
47_I	411_A	3.078	1.00
209_R	213_D	2.928	1.00
31_I	64_E	2.809	1.00
50_D	412_E	2.743	1.00
286_A	290_W	2.700	1.00
388_S	417_R	2.685	1.00
367_E	379_R	2.618	1.00
53_S	65_W	2.471	1.00
84_E	88_E	2.451	1.00
384_D	417_R	2.421	1.00
413_A	416_D	2.332	1.00
45_G	358_L	2.328	1.00
59_T	377_L	2.276	1.00
201_E	205_K	2.250	1.00
47_I	50_D	2.202	1.00
34_I	49_Q	2.198	1.00
224_T	280_E	2.182	1.00
367_E	376_T	2.149	1.00
80_E	84_E	2.105	1.00
68_V	89_A	2.084	1.00
385_T	417_R	2.045	1.00
243_G	279_V	2.040	1.00
222_T	280_E	2.040	1.00
148_V	214_Y	2.028	1.00
33_P	89_A	1.995	1.00
49_Q	67_E	1.969	1.00
91_R	120_L	1.965	1.00
360_L	382_V	1.963	1.00
69_Y	77_M	1.961	1.00
208_V	302_A	1.929	1.00
356_T	414_V	1.927	1.00
371_W	374_A	1.925	1.00
205_K	242_W	1.919	1.00
205_K	245_E	1.915	1.00
222_T	278_M	1.895	1.00
351_D	406_S	1.860	1.00
213_D	251_Y	1.859	1.00
359_I	414_V	1.844	1.00
294_R	297_E	1.838	1.00
74_A	83_P	1.822	1.00
40_I	353_A	1.821	1.00
351_D	408_T	1.821	1.00
88_E	92_E	1.778	1.00
376_T	380_D	1.773	1.00
42_K	46_P	1.768	1.00
363_R	379_R	1.754	1.00
411_A	415_I	1.752	1.00
201_E	245_E	1.751	1.00
244_M	281_E	1.719	1.00
390_T	413_A	1.717	1.00
209_R	251_Y	1.687	1.00
226_V	287_M	1.663	1.00
130_Y	383_E	1.658	1.00
242_W	245_E	1.654	1.00
91_R	119_T	1.642	1.00
205_K	209_R	1.637	1.00
412_E	416_D	1.637	1.00
372_D	376_T	1.606	1.00
164_E	241_D	1.593	1.00
29_T	64_E	1.582	1.00
197_K	304_P	1.563	1.00
126_V	148_V	1.553	1.00
133_D	387_E	1.550	1.00
191_D	201_E	1.532	1.00
190_G	202_K	1.529	1.00
123_Y	332_A	1.524	1.00
55_A	378_V	1.523	1.00
66_M	92_E	1.518	1.00
33_P	93_H	1.517	1.00
87_V	119_T	1.514	1.00
29_T	62_D	1.508	1.00
73_S	77_M	1.499	1.00
88_E	91_R	1.489	1.00
406_S	409_T	1.483	1.00
30_P	371_W	1.471	1.00
48_A	362_G	1.471	1.00
246_V	250_E	1.461	1.00
61_H	371_W	1.456	1.00
212_I	247_A	1.453	1.00
292_Q	314_A	1.447	1.00
65_W	362_G	1.442	1.00
35_I	70_A	1.440	1.00
367_E	375_S	1.434	1.00
225_L	243_G	1.434	1.00
115_A	119_T	1.432	1.00
50_D	415_I	1.411	1.00
150_F	210_E	1.409	1.00
209_R	246_V	1.399	1.00
61_H	374_A	1.395	1.00
351_D	407_S	1.393	1.00
33_P	68_V	1.390	1.00
52_L	63_I	1.383	1.00
149_T	312_S	1.382	1.00
220_R	299_D	1.381	1.00
54_A	415_I	1.375	1.00
49_Q	53_S	1.361	1.00
134_G	387_E	1.353	1.00
66_M	93_H	1.347	1.00
213_D	217_E	1.341	1.00
48_A	97_I	1.338	1.00
36_H	67_E	1.333	1.00
69_Y	78_Y	1.316	1.00
356_T	410_Y	1.312	1.00
82_L	87_V	1.309	1.00
415_I	418_I	1.297	1.00
352_K	393_Y	1.270	1.00
238_Q	242_W	1.268	1.00
150_F	214_Y	1.265	1.00
288_L	311_L	1.263	1.00
225_L	281_E	1.253	1.00
213_D	216_I	1.250	1.00
385_T	413_A	1.246	1.00
367_E	372_D	1.240	1.00
282_R	290_W	1.232	1.00
69_Y	74_A	1.228	1.00
58_A	377_L	1.227	1.00
195_G	234_F	1.224	1.00
30_P	369_I	1.215	1.00
365_L	369_I	1.213	1.00
66_M	89_A	1.213	1.00
410_Y	414_V	1.212	1.00
48_A	358_L	1.212	1.00
221_D	299_D	1.211	1.00
49_Q	65_W	1.200	1.00
380_D	384_D	1.193	1.00
208_V	246_V	1.189	1.00
31_I	66_M	1.176	1.00
245_E	248_E	1.149	1.00
366_F	374_A	1.148	1.00
282_R	286_A	1.143	1.00
244_M	248_E	1.141	1.00
51_V	378_V	1.138	1.00
197_K	234_F	1.136	1.00
149_T	315_A	1.131	1.00
282_R	298_F	1.129	1.00
409_T	412_E	1.125	1.00
147_M	291_M	1.117	1.00
34_I	67_E	1.116	1.00
291_M	301_L	1.112	1.00
74_A	78_Y	1.111	1.00
201_E	242_W	1.103	1.00
216_I	221_D	1.101	1.00
126_V	150_F	1.098	1.00
33_P	90_I	1.097	1.00
241_D	245_E	1.097	1.00
282_R	287_M	1.095	1.00
205_K	246_V	1.091	1.00
90_I	96_A	1.085	1.00
351_D	409_T	1.081	1.00
52_L	362_G	1.080	1.00
97_I	362_G	1.078	1.00
288_L	314_A	1.073	0.99
130_Y	146_D	1.069	0.99
413_A	417_R	1.063	0.99
121_D	206_R	1.062	0.99
347_R	353_A	1.060	0.99
377_L	418_I	1.060	0.99
212_I	251_Y	1.053	0.99
54_A	58_A	1.052	0.99
284_A	310_Y	1.049	0.99
229_G	240_G	1.047	0.99
144_E	296_D	1.045	0.99
223_V	279_V	1.045	0.99
55_A	374_A	1.043	0.99
212_I	254_D	1.043	0.99
50_D	408_T	1.041	0.99
78_Y	85_E	1.040	0.99
204_S	208_V	1.033	0.99
124_A	207_L	1.018	0.99
162_E	196_L	1.016	0.99
384_D	388_S	1.014	0.99
218_N	299_D	1.010	0.99
157_V	304_P	1.008	0.99
290_W	297_E	1.004	0.99
157_V	197_K	1.002	0.99
98_K	113_N	1.001	0.99
214_Y	218_N	0.998	0.99
396_A	399_R	0.992	0.99
46_P	50_D	0.990	0.99
47_I	408_T	0.989	0.99
193_G	238_Q	0.986	0.99
202_K	205_K	0.984	0.99
50_D	411_A	0.981	0.99
192_I	198_P	0.980	0.99
76_E	105_V	0.977	0.99
48_A	359_I	0.976	0.99
85_E	88_E	0.975	0.99
54_A	57_E	0.972	0.99
356_T	386_I	0.971	0.99
153_N	329_N	0.967	0.99
226_V	284_A	0.965	0.99
51_V	415_I	0.964	0.99
199_I	304_P	0.957	0.99
74_A	86_T	0.954	0.99
243_G	302_A	0.948	0.99
34_I	45_G	0.948	0.99
211_A	223_V	0.947	0.99
130_Y	379_R	0.947	0.99
70_A	116_L	0.945	0.99
133_D	143_E	0.942	0.99
385_T	390_T	0.934	0.99
293_L	317_A	0.933	0.99
223_V	246_V	0.931	0.99
83_P	86_T	0.929	0.99
44_V	358_L	0.927	0.98
76_E	103_T	0.926	0.98
223_V	300_V	0.923	0.98
356_T	382_V	0.923	0.98
227_H	240_G	0.923	0.98
156_D	197_K	0.921	0.98
280_E	297_E	0.920	0.98
55_A	362_G	0.918	0.98
43_D	349_G	0.918	0.98
199_I	204_S	0.916	0.98
360_L	379_R	0.903	0.98
36_H	46_P	0.902	0.98
134_G	383_E	0.898	0.98
31_I	92_E	0.898	0.98
216_I	251_Y	0.896	0.98
147_M	315_A	0.894	0.98
51_V	418_I	0.893	0.98
44_V	99_G	0.893	0.98
376_T	379_R	0.892	0.98
68_V	86_T	0.886	0.98
339_P	358_L	0.881	0.98
47_I	351_D	0.880	0.98
236_E	307_N	0.880	0.98
70_A	112_L	0.880	0.98
347_R	352_K	0.879	0.98
80_E	115_A	0.872	0.98
223_V	254_D	0.871	0.98
156_D	304_P	0.867	0.98
392_T	410_Y	0.867	0.98
132_L	383_E	0.867	0.98
89_A	93_H	0.866	0.98
47_I	412_E	0.865	0.98
68_V	93_H	0.859	0.98
223_V	302_A	0.859	0.98
212_I	223_V	0.854	0.97
225_L	279_V	0.853	0.97
247_A	279_V	0.850	0.97
192_I	200_S	0.850	0.97
374_A	377_L	0.849	0.97
51_V	359_I	0.849	0.97
85_E	89_A	0.848	0.97
363_R	367_E	0.847	0.97
142_P	296_D	0.846	0.97
34_I	65_W	0.846	0.97
386_I	391_V	0.845	0.97
347_R	393_Y	0.845	0.97
359_I	382_V	0.840	0.97
70_A	98_K	0.840	0.97
290_W	294_R	0.839	0.97
129_T	315_A	0.832	0.97
384_D	387_E	0.821	0.97
133_D	383_E	0.816	0.97
350_Q	393_Y	0.816	0.97
126_V	210_E	0.813	0.97
75_R	81_N	0.809	0.96
224_T	282_R	0.807	0.96
121_D	154_T	0.806	0.96
346_K	393_Y	0.806	0.96
362_G	365_L	0.806	0.96
45_G	99_G	0.806	0.96
100_P	341_H	0.804	0.96
95_V	369_I	0.803	0.96
163_W	194_I	0.801	0.96
55_A	61_H	0.799	0.96
53_S	57_E	0.795	0.96
124_A	210_E	0.795	0.96
157_V	306_L	0.794	0.96
229_G	283_L	0.791	0.96
399_R	409_T	0.790	0.96
52_L	366_F	0.789	0.96
284_A	304_P	0.788	0.96
227_H	281_E	0.788	0.96
208_V	279_V	0.783	0.96
381_A	385_T	0.781	0.96
129_T	319_I	0.781	0.96
149_T	311_L	0.775	0.95
211_A	302_A	0.773	0.95
242_W	246_V	0.772	0.95
226_V	301_L	0.770	0.95
331_G	334_R	0.768	0.95
380_D	383_E	0.768	0.95
125_N	340_V	0.767	0.95
223_V	247_A	0.766	0.95
72_E	103_T	0.765	0.95
385_T	414_V	0.765	0.95
244_M	279_V	0.765	0.95
35_I	90_I	0.765	0.95
291_M	315_A	0.765	0.95
69_Y	73_S	0.762	0.95
30_P	61_H	0.761	0.95
197_K	306_L	0.757	0.95
48_A	52_L	0.753	0.95
328_A	337_A	0.752	0.95
59_T	374_A	0.751	0.95
47_I	415_I	0.750	0.95
166_G	192_I	0.740	0.94
216_I	254_D	0.740	0.94
217_E	370_G	0.740	0.94
97_I	358_L	0.738	0.94
226_V	311_L	0.737	0.94
210_E	214_Y	0.737	0.94
393_Y	406_S	0.736	0.94
89_A	92_E	0.735	0.94
287_M	298_F	0.734	0.94
72_E	76_E	0.732	0.94
46_P	408_T	0.732	0.94
247_A	252_P	0.732	0.94
212_I	279_V	0.730	0.94
122_L	336_L	0.730	0.94
164_E	193_G	0.729	0.94
141_A	144_E	0.721	0.93
129_T	147_M	0.719	0.93
87_V	91_R	0.714	0.93
241_D	248_E	0.714	0.93
284_A	288_L	0.712	0.93
63_I	362_G	0.711	0.93
408_T	412_E	0.711	0.93
136_P	391_V	0.710	0.93
346_K	353_A	0.706	0.93
287_M	301_L	0.705	0.93
146_D	299_D	0.704	0.93
46_P	67_E	0.700	0.92
107_A	111_S	0.698	0.92
100_P	358_L	0.697	0.92
326_P	364_L	0.693	0.92
344_A	347_R	0.692	0.92
82_L	116_L	0.691	0.92
102_T	343_S	0.690	0.92
150_F	207_L	0.689	0.92
201_E	238_Q	0.689	0.92
155_E	203_G	0.688	0.92
326_P	360_L	0.688	0.92
286_A	322_L	0.688	0.92
80_E	85_E	0.687	0.92
197_K	307_N	0.687	0.92
162_E	194_I	0.685	0.91
248_E	252_P	0.680	0.91
362_G	366_F	0.680	0.91
408_T	411_A	0.678	0.91
52_L	65_W	0.678	0.91
58_A	418_I	0.668	0.90
136_P	140_K	0.668	0.90
244_M	247_A	0.666	0.90
385_T	410_Y	0.666	0.90
47_I	359_I	0.665	0.90
213_D	250_E	0.665	0.90
246_V	251_Y	0.662	0.90
240_G	244_M	0.656	0.90
131_Y	145_M	0.654	0.90
136_P	395_L	0.650	0.89
290_W	293_L	0.649	0.89
189_D	202_K	0.648	0.89
328_A	364_L	0.647	0.89
412_E	415_I	0.647	0.89
195_G	237_G	0.646	0.89
321_G	357_A	0.646	0.89
148_V	218_N	0.646	0.89
68_V	85_E	0.646	0.89
72_E	102_T	0.645	0.89
147_M	318_Q	0.644	0.89
207_L	302_A	0.642	0.89
390_T	417_R	0.642	0.89
227_H	283_L	0.642	0.89
191_D	241_D	0.641	0.89
383_E	387_E	0.637	0.88
96_A	336_L	0.637	0.88
292_Q	318_Q	0.637	0.88
375_S	379_R	0.635	0.88
197_K	236_E	0.628	0.88
164_E	167_T	0.627	0.87
69_Y	85_E	0.626	0.87
45_G	48_A	0.626	0.87
84_E	115_A	0.625	0.87
161_I	198_P	0.625	0.87
359_I	378_V	0.624	0.87
326_P	357_A	0.623	0.87
167_T	189_D	0.620	0.87
390_T	399_R	0.619	0.87
99_G	358_L	0.618	0.87
204_S	242_W	0.618	0.87
112_L	115_A	0.616	0.87
324_I	395_L	0.615	0.86
340_V	357_A	0.614	0.86
73_S	76_E	0.613	0.86
373_D	376_T	0.612	0.86
32_I	365_L	0.609	0.86
392_T	395_L	0.608	0.86
148_V	300_V	0.608	0.86
162_E	165_A	0.607	0.86
377_L	381_A	0.606	0.86
110_R	115_A	0.604	0.85
369_I	372_D	0.603	0.85
226_V	303_M	0.602	0.85
55_A	60_G	0.600	0.85
50_D	53_S	0.600	0.85
52_L	378_V	0.599	0.85
330_F	368_Y	0.596	0.85
121_D	155_E	0.596	0.85
366_F	378_V	0.596	0.85
353_A	393_Y	0.595	0.85
148_V	220_R	0.592	0.84
32_I	63_I	0.590	0.84
132_L	360_L	0.585	0.84
164_E	233_K	0.585	0.84
391_V	395_L	0.584	0.84
103_T	111_S	0.584	0.84
70_A	82_L	0.584	0.84
221_D	253_D	0.583	0.83
149_T	301_L	0.579	0.83
337_A	368_Y	0.576	0.83
225_L	239_F	0.575	0.83
204_S	304_P	0.575	0.83
121_D	331_G	0.574	0.82
82_L	115_A	0.573	0.82
190_G	200_S	0.572	0.82
80_E	107_A	0.571	0.82
210_E	332_A	0.571	0.82
45_G	49_Q	0.571	0.82
123_Y	207_L	0.570	0.82
35_I	68_V	0.568	0.82
121_D	202_K	0.568	0.82
145_M	296_D	0.567	0.82
216_I	247_A	0.565	0.82
158_Y	338_E	0.565	0.82
359_I	411_A	0.564	0.81
191_D	202_K	0.563	0.81
102_T	109_F	0.560	0.81
86_T	112_L	0.559	0.81
232_M	235_T	0.558	0.81
165_A	241_D	0.558	0.81
286_A	297_E	0.557	0.81
210_E	213_D	0.552	0.80
161_I	196_L	0.552	0.80
74_A	82_L	0.550	0.80
335_C	368_Y	0.550	0.80
32_I	65_W	0.550	0.80
167_T	188_H	0.549	0.80
70_A	86_T	0.548	0.80
342_G	345_P	0.548	0.80
203_G	206_R	0.545	0.79
63_I	374_A	0.544	0.79
228_K	285_D	0.544	0.79
330_F	335_C	0.544	0.79
189_D	205_K	0.544	0.79
45_G	97_I	0.542	0.79
90_I	93_H	0.540	0.79
108_G	111_S	0.539	0.78
393_Y	398_Q	0.538	0.78
155_E	200_S	0.536	0.78
321_G	324_I	0.535	0.78
366_F	375_S	0.535	0.78
395_L	399_R	0.534	0.78
90_I	116_L	0.534	0.78
46_P	49_Q	0.534	0.78
67_E	73_S	0.534	0.78
247_A	251_Y	0.532	0.78
63_I	371_W	0.532	0.78
48_A	51_V	0.531	0.77
123_Y	210_E	0.531	0.77
195_G	232_M	0.530	0.77
111_S	115_A	0.530	0.77
55_A	377_L	0.530	0.77
101_L	343_S	0.529	0.77
235_T	304_P	0.529	0.77
146_D	220_R	0.526	0.77
98_K	116_L	0.525	0.77
192_I	201_E	0.523	0.76
82_L	86_T	0.520	0.76
194_I	198_P	0.520	0.76
351_D	412_E	0.520	0.76
42_K	73_S	0.519	0.76
213_D	246_V	0.519	0.76
143_E	296_D	0.519	0.76
309_D	313_D	0.518	0.76
55_A	359_I	0.517	0.76
331_G	335_C	0.516	0.75
304_P	307_N	0.515	0.75
39_G	353_A	0.515	0.75
208_V	242_W	0.514	0.75
81_N	109_F	0.513	0.75
90_I	120_L	0.511	0.75
108_G	283_L	0.510	0.75
189_D	201_E	0.510	0.75
75_R	107_A	0.509	0.74
68_V	83_P	0.508	0.74
376_T	383_E	0.506	0.74
74_A	77_M	0.506	0.74
33_P	66_M	0.505	0.74
407_S	411_A	0.505	0.74
210_E	330_F	0.504	0.74
391_V	410_Y	0.503	0.74
216_I	252_P	0.503	0.74
225_L	302_A	0.502	0.73
390_T	416_D	0.501	0.73
127_R	309_D	0.501	0.73
98_K	103_T	0.501	0.73
162_E	197_K	0.500	0.73
36_H	99_G	0.500	0.73
120_L	336_L	0.500	0.73
150_F	211_A	0.500	0.73

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
3dmsA	2	0.9668	100	0.09	Contact Map
2iv0A	2	0.9763	100	0.092	Contact Map
2d4vA	2	0.9787	100	0.1	Contact Map
1tyoA	2	0.9763	100	0.1	Contact Map
2e0cA	2	0.9431	100	0.109	Contact Map
1hqsA	2	0.9692	100	0.116	Contact Map
3flkA	3	0.8152	100	0.157	Contact Map
2d1cA	2	0.8436	100	0.161	Contact Map
2y3zA	2	0.8009	100	0.163	Contact Map
1x0lA	4	0.7844	100	0.165	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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