Q9HQI6 - HALSA - GREMLIN Contacts

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Q9HQI6 - Mevalonate kinase

UniProt:	Q9HQI6	Sequences: MTTTSSAPGKVYLFGEHAVVYGEPAVPCAIERRAHVTVSEREDSRLRVCSGDLSIDGFTVEYSGDRDAGGTPDVDVPAPIVDAAMGYVDAAVEQARAAADAPTAGFDVTIDSEIPLGAGLGSSAAVVVAGIDAATRELGVELDAREVADRAYQVEHTVQDGEASRADTFCSAMGGVVRVSGDDCTTLDAPALPFVIGYDGTSHDTGELVAGVRALREEFGFVADTVTAIGDLVRRGEAALADGDVATLGRLMDINHGLLSGLGVSGRTLDAMVWAARDGGADGAKLTGAGGGGSIVALDAGSGAETALSLTPDCEAAFRADLAREGVRVE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	330 (297)
Sequences:	5064 (3731)
Seq/√Len:	216.5

ECOLI - GAL1 KHSE
BACSU - GAL1 KHSE
HALSA - Q9HQI6 KHSE
SULSO - MVK PMK

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
6_S	33_R	4.772	1.00
253_D	277_R	4.479	1.00
47_R	107_D	3.661	1.00
39_S	107_D	3.536	1.00
244_D	247_T	3.454	1.00
143_D	146_E	3.283	1.00
36_V	129_A	3.245	1.00
236_G	248_L	2.994	1.00
284_A	297_A	2.977	1.00
34_A	125_A	2.857	1.00
231_D	235_R	2.791	1.00
185_T	241_A	2.766	1.00
193_P	301_G	2.654	1.00
178_R	237_E	2.643	1.00
259_L	264_V	2.634	1.00
249_G	283_G	2.626	1.00
41_R	107_D	2.550	1.00
44_S	63_S	2.455	1.00
38_V	133_A	2.422	1.00
238_A	242_D	2.421	1.00
247_T	250_R	2.281	1.00
269_L	295_I	2.277	1.00
309_S	313_D	2.227	1.00
239_A	247_T	2.131	1.00
47_R	59_T	2.119	1.00
299_D	307_A	2.115	1.00
235_R	247_T	2.093	1.00
14_F	236_G	2.053	1.00
135_T	141_E	2.051	1.00
128_V	172_A	2.021	1.00
239_A	244_D	2.009	1.00
131_I	147_V	1.975	1.00
7_A	129_A	1.971	1.00
191_A	301_G	1.934	1.00
237_E	241_A	1.923	1.00
274_W	278_D	1.923	1.00
211_G	215_L	1.889	1.00
212_V	215_L	1.862	1.00
197_G	297_A	1.831	1.00
303_G	306_T	1.789	1.00
45_R	59_T	1.759	1.00
145_R	149_D	1.719	1.00
40_E	104_A	1.690	1.00
257_G	277_R	1.689	1.00
257_G	260_S	1.668	1.00
310_L	314_C	1.659	1.00
203_H	289_A	1.645	1.00
5_S	136_R	1.605	1.00
305_E	308_L	1.590	1.00
211_G	214_A	1.577	1.00
195_V	307_A	1.575	1.00
300_A	303_G	1.556	1.00
153_Q	157_T	1.554	1.00
110_I	126_V	1.542	1.00
148_A	172_A	1.541	1.00
93_E	97_A	1.522	1.00
24_P	234_R	1.521	1.00
250_R	254_I	1.519	1.00
104_A	138_L	1.484	1.00
275_A	279_G	1.482	1.00
135_T	140_V	1.482	1.00
52_D	111_D	1.474	1.00
128_V	151_A	1.469	1.00
212_V	216_R	1.457	1.00
305_E	309_S	1.452	1.00
271_A	275_A	1.449	1.00
61_E	64_G	1.448	1.00
265_S	270_D	1.444	1.00
213_R	216_R	1.425	1.00
201_T	266_G	1.417	1.00
273_V	284_A	1.414	1.00
279_G	310_L	1.400	1.00
50_S	53_L	1.392	1.00
213_R	217_E	1.378	1.00
38_V	106_F	1.366	1.00
37_T	109_T	1.362	1.00
24_P	178_R	1.361	1.00
17_H	20_V	1.338	1.00
132_D	144_A	1.330	1.00
193_P	304_A	1.329	1.00
225_T	258_L	1.321	1.00
304_A	308_L	1.313	1.00
18_A	230_G	1.310	1.00
38_V	137_E	1.301	1.00
46_L	106_F	1.296	1.00
256_H	273_V	1.291	1.00
235_R	238_A	1.291	1.00
46_L	105_G	1.288	1.00
197_G	295_I	1.281	1.00
135_T	147_V	1.280	1.00
248_L	298_L	1.261	1.00
238_A	241_A	1.257	1.00
278_D	314_C	1.251	1.00
144_A	172_A	1.249	1.00
204_D	207_E	1.239	1.00
91_A	131_I	1.238	1.00
84_A	87_Y	1.236	1.00
306_T	309_S	1.230	1.00
4_T	37_T	1.202	1.00
135_T	142_L	1.198	1.00
275_A	314_C	1.179	1.00
91_A	95_A	1.176	1.00
308_L	312_P	1.172	1.00
48_V	88_V	1.171	1.00
228_A	254_I	1.163	1.00
246_A	300_A	1.155	1.00
12_Y	27_P	1.148	1.00
27_P	170_C	1.146	1.00
272_M	295_I	1.143	1.00
145_R	173_M	1.143	1.00
254_I	257_G	1.141	1.00
229_I	255_N	1.127	1.00
306_T	310_L	1.125	1.00
266_G	269_L	1.119	1.00
222_V	263_G	1.116	1.00
45_R	61_E	1.114	1.00
108_V	130_G	1.114	1.00
239_A	251_L	1.112	1.00
92_V	134_A	1.112	1.00
40_E	137_E	1.111	1.00
19_V	164_S	1.099	1.00
94_Q	97_A	1.091	1.00
24_P	230_G	1.090	1.00
265_S	286_L	1.084	1.00
38_V	108_V	1.082	1.00
88_V	130_G	1.081	1.00
44_S	61_E	1.076	1.00
41_R	105_G	1.075	1.00
201_T	268_T	1.067	1.00
10_K	164_S	1.061	1.00
269_L	286_L	1.060	1.00
231_D	234_R	1.059	1.00
94_Q	153_Q	1.056	1.00
16_E	259_L	1.055	1.00
10_K	19_V	1.053	1.00
178_R	234_R	1.050	1.00
110_I	130_G	1.049	1.00
162_E	213_R	1.047	1.00
49_C	109_T	1.041	1.00
252_M	283_G	1.039	1.00
214_A	217_E	1.036	1.00
36_V	110_I	1.035	1.00
210_A	215_L	1.034	1.00
199_D	272_M	1.023	1.00
220_G	224_D	1.022	1.00
48_V	60_V	1.019	1.00
36_V	108_V	1.018	1.00
51_G	109_T	1.017	1.00
284_A	295_I	1.013	1.00
270_D	274_W	1.010	1.00
185_T	237_E	1.009	1.00
222_V	225_T	1.007	1.00
128_V	171_S	1.006	1.00
155_E	293_G	1.004	1.00
18_A	229_I	1.004	1.00
214_A	218_E	1.003	1.00
9_G	114_I	1.000	1.00
221_F	263_G	0.997	1.00
25_A	166_A	0.987	1.00
86_G	89_D	0.985	1.00
125_A	171_S	0.980	1.00
12_Y	16_E	0.972	1.00
229_I	232_L	0.972	1.00
156_H	163_A	0.970	1.00
310_L	313_D	0.969	1.00
18_A	21_Y	0.968	1.00
197_G	276_A	0.962	1.00
205_T	211_G	0.951	1.00
152_Y	163_A	0.950	1.00
229_I	233_V	0.949	1.00
246_A	250_R	0.946	1.00
307_A	311_T	0.934	0.99
165_R	181_G	0.934	0.99
275_A	278_D	0.933	0.99
125_A	129_A	0.928	0.99
36_V	133_A	0.926	0.99
205_T	210_A	0.925	0.99
282_D	300_A	0.921	0.99
210_A	213_R	0.919	0.99
100_D	103_T	0.916	0.99
233_V	236_G	0.911	0.99
257_G	261_G	0.911	0.99
35_H	111_D	0.907	0.99
205_T	215_L	0.905	0.99
132_D	147_V	0.904	0.99
197_G	272_M	0.902	0.99
49_C	107_D	0.899	0.99
23_E	230_G	0.896	0.99
112_S	125_A	0.896	0.99
218_E	221_F	0.890	0.99
267_R	271_A	0.890	0.99
7_A	171_S	0.889	0.99
11_V	296_V	0.889	0.99
144_A	147_V	0.888	0.99
18_A	23_E	0.878	0.99
205_T	213_R	0.876	0.99
27_P	166_A	0.875	0.99
82_D	89_D	0.867	0.99
148_A	152_Y	0.866	0.99
11_V	287_T	0.865	0.99
82_D	85_M	0.861	0.99
253_D	257_G	0.860	0.99
161_G	205_T	0.857	0.99
46_L	60_V	0.855	0.99
260_S	270_D	0.853	0.99
22_G	182_D	0.851	0.99
28_C	176_V	0.848	0.99
131_I	150_R	0.846	0.99
164_S	168_T	0.844	0.99
199_D	292_G	0.844	0.99
232_L	251_L	0.839	0.99
309_S	312_P	0.833	0.99
26_V	233_V	0.833	0.99
14_F	251_L	0.831	0.99
6_S	35_H	0.829	0.99
131_I	151_A	0.828	0.99
169_F	173_M	0.825	0.99
197_G	284_A	0.823	0.99
26_V	236_G	0.823	0.99
124_A	163_A	0.822	0.99
225_T	228_A	0.811	0.99
252_M	296_V	0.804	0.98
155_E	168_T	0.802	0.98
256_H	260_S	0.799	0.98
281_A	303_G	0.798	0.98
276_A	307_A	0.795	0.98
146_E	150_R	0.793	0.98
95_A	140_V	0.791	0.98
270_D	273_V	0.791	0.98
127_V	154_V	0.790	0.98
273_V	277_R	0.787	0.98
276_A	284_A	0.785	0.98
24_P	233_V	0.784	0.98
235_R	254_I	0.783	0.98
11_V	28_C	0.781	0.98
19_V	23_E	0.778	0.98
205_T	212_V	0.776	0.98
37_T	111_D	0.776	0.98
82_D	86_G	0.769	0.98
146_E	149_D	0.769	0.98
228_A	231_D	0.768	0.98
197_G	311_T	0.764	0.98
51_G	111_D	0.759	0.98
41_R	44_S	0.759	0.98
287_T	294_S	0.756	0.98
93_E	96_R	0.756	0.98
170_C	177_V	0.752	0.98
85_M	88_V	0.750	0.98
10_K	121_G	0.746	0.98
234_R	238_A	0.745	0.97
235_R	251_L	0.743	0.97
165_R	169_F	0.743	0.97
12_Y	17_H	0.742	0.97
11_V	30_I	0.737	0.97
147_V	172_A	0.736	0.97
195_V	276_A	0.734	0.97
41_R	46_L	0.733	0.97
12_Y	166_A	0.726	0.97
85_M	89_D	0.726	0.97
251_L	255_N	0.725	0.97
267_R	270_D	0.721	0.97
178_R	233_V	0.720	0.97
191_A	300_A	0.717	0.97
224_D	228_A	0.715	0.97
230_G	234_R	0.710	0.97
5_S	129_A	0.707	0.97
229_I	258_L	0.706	0.97
44_S	62_Y	0.706	0.97
252_M	298_L	0.705	0.97
152_Y	156_H	0.705	0.97
41_R	47_R	0.704	0.96
247_T	251_L	0.704	0.96
205_T	216_R	0.704	0.96
161_G	289_A	0.703	0.96
128_V	147_V	0.703	0.96
253_D	283_G	0.699	0.96
87_Y	90_A	0.697	0.96
279_G	307_A	0.697	0.96
271_A	274_W	0.695	0.96
64_G	67_D	0.695	0.96
12_Y	287_T	0.690	0.96
34_A	129_A	0.690	0.96
81_V	85_M	0.690	0.96
126_V	130_G	0.687	0.96
233_V	237_E	0.684	0.96
228_A	261_G	0.682	0.96
26_V	237_E	0.682	0.96
279_G	306_T	0.681	0.96
118_A	198_Y	0.679	0.96
124_A	161_G	0.677	0.96
169_F	179_V	0.677	0.96
255_N	258_L	0.673	0.95
87_Y	91_A	0.673	0.95
228_A	258_L	0.659	0.95
273_V	295_I	0.655	0.95
28_C	194_F	0.654	0.95
43_D	105_G	0.649	0.94
224_D	262_L	0.649	0.94
229_I	262_L	0.641	0.94
192_L	282_D	0.639	0.94
275_A	310_L	0.639	0.94
23_E	227_T	0.639	0.94
256_H	286_L	0.638	0.94
95_A	134_A	0.638	0.94
155_E	164_S	0.637	0.94
251_L	254_I	0.636	0.94
221_F	225_T	0.636	0.94
13_L	176_V	0.636	0.94
268_T	271_A	0.635	0.94
19_V	25_A	0.634	0.94
236_G	240_L	0.634	0.94
39_S	109_T	0.633	0.94
10_K	25_A	0.632	0.94
288_G	292_G	0.631	0.94
127_V	151_A	0.631	0.94
29_A	171_S	0.630	0.94
91_A	94_Q	0.630	0.94
151_A	172_A	0.624	0.93
206_G	213_R	0.621	0.93
127_V	163_A	0.621	0.93
274_W	277_R	0.620	0.93
33_R	114_I	0.620	0.93
276_A	297_A	0.617	0.93
249_G	252_M	0.616	0.93
149_D	153_Q	0.615	0.93
152_Y	165_R	0.615	0.93
132_D	135_T	0.614	0.93
81_V	86_G	0.614	0.93
236_G	252_M	0.613	0.93
129_A	133_A	0.612	0.93
121_G	164_S	0.610	0.92
88_V	126_V	0.610	0.92
256_H	265_S	0.609	0.92
224_D	227_T	0.608	0.92
148_A	168_T	0.608	0.92
163_A	168_T	0.608	0.92
235_R	239_A	0.607	0.92
223_A	226_V	0.607	0.92
276_A	311_T	0.607	0.92
259_L	269_L	0.606	0.92
271_A	314_C	0.604	0.92
156_H	162_E	0.602	0.92
19_V	168_T	0.600	0.92
258_L	261_G	0.598	0.92
12_Y	25_A	0.597	0.92
124_A	151_A	0.597	0.92
25_A	164_S	0.591	0.91
14_F	248_L	0.590	0.91
50_S	55_I	0.590	0.91
199_D	295_I	0.589	0.91
149_D	152_Y	0.588	0.91
175_G	186_T	0.586	0.91
8_P	29_A	0.586	0.91
259_L	289_A	0.586	0.91
130_G	134_A	0.586	0.91
10_K	167_D	0.585	0.91
132_D	172_A	0.585	0.91
224_D	261_G	0.583	0.91
10_K	168_T	0.582	0.91
108_V	133_A	0.580	0.91
12_Y	19_V	0.580	0.91
127_V	168_T	0.580	0.91
276_A	295_I	0.579	0.90
90_A	94_Q	0.578	0.90
89_D	92_V	0.576	0.90
25_A	165_R	0.576	0.90
276_A	280_G	0.576	0.90
265_S	269_L	0.575	0.90
195_V	299_D	0.574	0.90
135_T	138_L	0.571	0.90
232_L	258_L	0.570	0.90
287_T	296_V	0.569	0.90
188_D	241_A	0.568	0.90
148_A	166_A	0.568	0.90
196_I	287_T	0.566	0.89
17_H	166_A	0.565	0.89
249_G	253_D	0.563	0.89
281_A	307_A	0.562	0.89
135_T	146_E	0.562	0.89
81_V	84_A	0.560	0.89
224_D	260_S	0.558	0.89
142_L	146_E	0.557	0.89
18_A	233_V	0.556	0.89
79_P	83_A	0.556	0.89
12_Y	164_S	0.555	0.89
266_G	291_G	0.553	0.88
66_R	158_V	0.553	0.88
80_I	83_A	0.551	0.88
9_G	34_A	0.551	0.88
18_A	24_P	0.550	0.88
106_F	138_L	0.550	0.88
97_A	153_Q	0.548	0.88
304_A	307_A	0.548	0.88
30_I	120_L	0.546	0.88
275_A	307_A	0.546	0.88
40_E	138_L	0.543	0.87
99_A	153_Q	0.541	0.87
10_K	166_A	0.539	0.87
124_A	289_A	0.538	0.87
307_A	310_L	0.538	0.87
148_A	169_F	0.537	0.87
12_Y	121_G	0.534	0.87
281_A	300_A	0.532	0.86
195_V	308_L	0.531	0.86
49_C	55_I	0.531	0.86
202_S	205_T	0.530	0.86
80_I	86_G	0.529	0.86
60_V	65_D	0.529	0.86
79_P	82_D	0.529	0.86
94_Q	157_T	0.528	0.86
256_H	259_L	0.526	0.86
228_A	260_S	0.526	0.86
180_S	234_R	0.525	0.86
34_A	114_I	0.525	0.86
17_H	259_L	0.524	0.86
88_V	110_I	0.523	0.85
193_P	302_S	0.523	0.85
29_A	175_G	0.522	0.85
103_T	138_L	0.522	0.85
227_T	231_D	0.517	0.85
168_T	293_G	0.517	0.85
184_C	187_L	0.514	0.84
12_Y	259_L	0.514	0.84
92_V	96_R	0.513	0.84
270_D	276_A	0.512	0.84
90_A	93_E	0.511	0.84
264_V	286_L	0.510	0.84
101_A	142_L	0.510	0.84
159_Q	163_A	0.509	0.84
206_G	212_V	0.509	0.84
152_Y	168_T	0.509	0.84
244_D	250_R	0.508	0.84
148_A	173_M	0.508	0.84
253_D	273_V	0.508	0.84
16_E	296_V	0.508	0.84
42_E	104_A	0.508	0.84
123_S	288_G	0.507	0.84
199_D	269_L	0.506	0.84
226_V	264_V	0.505	0.83
95_A	150_R	0.503	0.83
131_I	154_V	0.502	0.83
7_A	128_V	0.502	0.83
154_V	163_A	0.502	0.83
135_T	144_A	0.501	0.83
11_V	27_P	0.500	0.83
163_A	166_A	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
1pieA	1	0.9636	100	0.282	Contact Map
2a2cA	1	0.9545	100	0.294	Contact Map
3v2uC	2	0.9667	100	0.304	Contact Map
4n3oA	2	0.9121	100	0.313	Contact Map
1kvkA	2	0.9667	100	0.316	Contact Map
1wuuA	2	0.9667	100	0.32	Contact Map
3k85A	3	0.8545	100	0.323	Contact Map
2cz9A	1	0.9273	100	0.324	Contact Map
4hacA	2	0.9091	100	0.327	Contact Map
1kkhA	1	0.9273	100	0.347	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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