ISPE - ECOLI - GREMLIN Contacts

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ISPE - 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase

UniProt:	P62615	Sequences: MRTQWPSPAKLNLFLYITGQRADGYHTLQTLFQFLDYGDTISIELRDDGDIRLLTPVEGVEHEDNLIVRAARLLMKTAADSGRLPTGSGANISIDKRLPMGGGLGGGSSNAATVLVALNHLWQCGLSMDELAEMGLTLGADVPVFVRGHAAFAEGVGEILTPVDPPEKWYLVAHPGVSIPTPVIFKDPELPRNTPKRSIETLLKCEFSNDCEVIARKRFREVDAVLSWLLEYAPSRLTGTGACVFAEFDTESEARQVLEQAPEWLNGFVAKGANLSPLHRAML	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11294
Length:	283 (246)
Sequences:	6048 (4380)
Seq/√Len:	279.3

ECOLI - ISPE KHSE
BACSU - ISPE KHSE
HALSA - KHSE
SULSO - KHSE Q980I6

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
44_E	91_N	3.341	1.00
127_S	130_E	3.067	1.00
140_A	156_V	3.049	1.00
40_T	95_D	2.958	1.00
52_R	91_N	2.846	1.00
248_F	257_V	2.708	1.00
115_L	131_L	2.641	1.00
43_I	117_A	2.580	1.00
212_E	226_L	2.575	1.00
54_L	93_S	2.568	1.00
29_Q	152_F	2.458	1.00
63_E	72_R	2.422	1.00
73_L	137_T	2.350	1.00
132_A	147_R	2.276	1.00
172_V	243_C	2.250	1.00
216_R	223_D	2.195	1.00
184_I	211_C	2.162	1.00
46_R	91_N	2.078	1.00
182_P	186_K	2.059	1.00
42_S	93_S	2.018	1.00
170_Y	247_E	1.978	1.00
222_V	244_V	1.966	1.00
29_Q	154_E	1.930	1.00
73_L	134_M	1.925	1.00
74_L	124_C	1.897	1.00
77_T	137_T	1.875	1.00
251_E	255_R	1.871	1.00
30_T	153_A	1.831	1.00
119_N	126_L	1.829	1.00
250_T	253_E	1.807	1.00
46_R	49_G	1.776	1.00
223_D	227_S	1.756	1.00
72_R	76_K	1.755	1.00
42_S	95_D	1.747	1.00
119_N	125_G	1.743	1.00
68_V	72_R	1.724	1.00
171_L	248_F	1.722	1.00
19_G	27_T	1.717	1.00
28_L	185_F	1.676	1.00
187_D	218_R	1.665	1.00
33_Q	150_A	1.648	1.00
130_E	133_E	1.618	1.00
74_L	115_L	1.603	1.00
51_I	68_V	1.599	1.00
77_T	130_E	1.595	1.00
67_I	114_V	1.555	1.00
44_E	93_S	1.546	1.00
169_W	251_E	1.538	1.00
77_T	134_M	1.536	1.00
226_L	244_V	1.527	1.00
73_L	77_T	1.522	1.00
183_V	186_K	1.522	1.00
179_I	184_I	1.520	1.00
72_R	75_M	1.519	1.00
74_L	122_W	1.517	1.00
227_S	231_E	1.514	1.00
40_T	97_R	1.507	1.00
154_E	161_T	1.496	1.00
179_I	215_A	1.494	1.00
67_I	94_I	1.491	1.00
43_I	92_I	1.469	1.00
41_I	114_V	1.439	1.00
78_A	124_C	1.394	1.00
236_R	245_F	1.391	1.00
52_R	93_S	1.388	1.00
101_G	178_S	1.375	1.00
45_L	88_S	1.374	1.00
17_I	188_P	1.366	1.00
221_E	224_A	1.340	1.00
212_E	216_R	1.339	1.00
222_V	237_L	1.334	1.00
180_P	183_V	1.323	1.00
32_F	153_A	1.322	1.00
61_E	64_D	1.306	1.00
174_H	243_C	1.305	1.00
18_T	27_T	1.304	1.00
187_D	190_L	1.303	1.00
171_L	254_A	1.291	1.00
54_L	91_N	1.290	1.00
172_V	245_F	1.284	1.00
228_W	232_Y	1.270	1.00
78_A	126_L	1.265	1.00
71_A	75_M	1.255	1.00
153_A	160_L	1.245	1.00
50_D	91_N	1.231	1.00
118_L	122_W	1.219	1.00
71_A	92_I	1.218	1.00
21_R	27_T	1.217	1.00
235_S	246_A	1.217	1.00
34_F	150_A	1.188	1.00
63_E	68_V	1.182	1.00
229_L	246_A	1.174	1.00
184_I	215_A	1.172	1.00
136_L	156_V	1.165	1.00
25_Y	140_A	1.154	1.00
70_A	138_L	1.148	1.00
173_A	225_V	1.139	1.00
183_V	218_R	1.136	1.00
39_D	98_L	1.133	1.00
46_R	89_G	1.130	1.00
41_I	67_I	1.120	1.00
92_I	114_V	1.113	1.00
177_V	221_E	1.111	1.00
119_N	124_C	1.098	1.00
234_P	246_A	1.095	1.00
255_R	258_L	1.095	1.00
128_M	147_R	1.094	1.00
151_A	160_L	1.090	1.00
119_N	131_L	1.088	1.00
46_R	50_D	1.087	1.00
249_D	253_E	1.085	1.00
73_L	76_K	1.085	1.00
41_I	113_T	1.074	1.00
114_V	118_L	1.071	1.00
258_L	262_P	1.071	1.00
102_G	174_H	1.066	1.00
216_R	222_V	1.065	1.00
109_S	145_F	1.061	1.00
66_L	138_L	1.060	1.00
211_C	215_A	1.059	1.00
229_L	234_P	1.059	1.00
216_R	226_L	1.054	1.00
224_A	227_S	1.052	1.00
34_F	149_H	1.052	1.00
35_L	38_G	1.049	1.00
183_V	187_D	1.045	1.00
207_F	236_R	1.025	1.00
238_T	243_C	1.025	1.00
54_L	95_D	1.021	1.00
66_L	111_A	1.019	1.00
119_N	127_S	1.017	1.00
78_A	86_T	1.010	1.00
188_P	192_R	1.009	1.00
117_A	121_L	0.999	1.00
171_L	258_L	0.997	1.00
43_I	114_V	0.996	1.00
119_N	128_M	0.996	1.00
98_L	104_L	0.993	1.00
75_M	122_W	0.992	1.00
197_R	202_L	0.982	1.00
101_G	242_A	0.980	1.00
115_L	135_G	0.974	1.00
126_L	134_M	0.970	1.00
48_D	89_G	0.970	1.00
120_H	124_C	0.964	1.00
38_G	98_L	0.964	1.00
198_S	201_T	0.962	1.00
154_E	159_I	0.958	1.00
196_K	210_D	0.956	1.00
159_I	162_P	0.947	1.00
169_W	254_A	0.946	1.00
74_L	78_A	0.944	1.00
101_G	243_C	0.940	1.00
135_G	146_V	0.940	1.00
37_Y	104_L	0.931	1.00
132_A	146_V	0.930	1.00
49_G	89_G	0.928	1.00
90_A	122_W	0.927	1.00
71_A	118_L	0.920	1.00
135_G	142_V	0.919	1.00
228_W	264_W	0.918	1.00
28_L	32_F	0.916	1.00
197_R	201_T	0.913	1.00
155_G	158_E	0.911	1.00
16_Y	208_S	0.906	1.00
199_I	202_L	0.903	1.00
105_G	145_F	0.903	1.00
53_L	65_N	0.899	1.00
60_V	100_M	0.891	1.00
70_A	115_L	0.883	1.00
230_L	235_S	0.882	1.00
34_F	144_V	0.882	1.00
179_I	219_F	0.872	1.00
73_L	138_L	0.867	1.00
232_Y	248_F	0.861	1.00
177_V	219_F	0.860	1.00
109_S	148_G	0.859	1.00
35_L	172_V	0.859	1.00
203_L	206_E	0.858	1.00
70_A	73_L	0.853	1.00
203_L	207_F	0.848	1.00
204_K	207_F	0.847	1.00
246_A	257_V	0.846	1.00
32_F	144_V	0.843	1.00
259_E	263_E	0.842	1.00
228_W	231_E	0.837	1.00
129_D	147_R	0.837	1.00
226_L	230_L	0.836	1.00
187_D	217_K	0.836	1.00
116_V	146_V	0.835	1.00
39_D	96_K	0.833	1.00
232_Y	257_V	0.832	1.00
253_E	256_Q	0.830	1.00
112_A	146_V	0.829	1.00
104_L	238_T	0.823	1.00
23_D	27_T	0.823	1.00
126_L	130_E	0.819	0.99
174_H	178_S	0.816	0.99
198_S	202_L	0.813	0.99
132_A	135_G	0.812	0.99
71_A	90_A	0.812	0.99
256_Q	260_Q	0.811	0.99
98_L	109_S	0.810	0.99
128_M	132_A	0.809	0.99
79_A	87_G	0.809	0.99
179_I	240_T	0.808	0.99
34_F	148_G	0.807	0.99
229_L	235_S	0.804	0.99
211_C	240_T	0.803	0.99
74_L	118_L	0.800	0.99
16_Y	210_D	0.782	0.99
235_S	244_V	0.781	0.99
114_V	117_A	0.778	0.99
221_E	225_V	0.777	0.99
226_L	235_S	0.758	0.99
232_Y	260_Q	0.754	0.99
62_H	65_N	0.753	0.99
179_I	242_A	0.752	0.99
21_R	33_Q	0.752	0.99
215_A	222_V	0.750	0.99
126_L	131_L	0.737	0.99
62_H	68_V	0.737	0.99
46_R	52_R	0.735	0.99
134_M	137_T	0.732	0.99
71_A	114_V	0.730	0.99
35_L	245_F	0.729	0.99
129_D	133_E	0.723	0.99
193_N	196_K	0.721	0.99
25_Y	156_V	0.717	0.99
144_V	153_A	0.714	0.99
230_L	234_P	0.714	0.99
169_W	250_T	0.706	0.98
248_F	254_A	0.706	0.98
246_A	261_A	0.705	0.98
20_Q	145_F	0.704	0.98
53_L	60_V	0.704	0.98
90_A	118_L	0.694	0.98
77_T	133_E	0.693	0.98
255_R	259_E	0.691	0.98
34_F	145_F	0.690	0.98
65_N	94_I	0.689	0.98
49_G	75_M	0.688	0.98
224_A	228_W	0.687	0.98
53_L	56_P	0.686	0.98
228_W	261_A	0.682	0.98
102_G	243_C	0.679	0.98
260_Q	264_W	0.676	0.98
75_M	89_G	0.670	0.98
171_L	257_V	0.669	0.98
190_L	193_N	0.668	0.98
71_A	89_G	0.667	0.98
136_L	158_E	0.667	0.98
115_L	134_M	0.662	0.98
35_L	170_Y	0.660	0.98
147_R	151_A	0.660	0.98
129_D	132_A	0.660	0.98
29_Q	32_F	0.659	0.98
147_R	160_L	0.659	0.98
173_A	265_L	0.658	0.98
51_I	55_T	0.656	0.98
43_I	90_A	0.654	0.98
18_T	189_E	0.653	0.97
74_L	125_G	0.650	0.97
78_A	119_N	0.649	0.97
133_E	137_T	0.647	0.97
144_V	151_A	0.646	0.97
218_R	221_E	0.646	0.97
74_L	134_M	0.645	0.97
104_L	172_V	0.641	0.97
67_I	92_I	0.641	0.97
179_I	218_R	0.639	0.97
41_I	110_N	0.638	0.97
111_A	138_L	0.637	0.97
219_F	237_L	0.636	0.97
70_A	142_V	0.635	0.97
68_V	92_I	0.635	0.97
259_E	262_P	0.634	0.97
260_Q	263_E	0.633	0.97
51_I	71_A	0.632	0.97
101_G	174_H	0.629	0.97
113_T	145_F	0.629	0.97
79_A	86_T	0.624	0.97
173_A	261_A	0.624	0.97
132_A	143_P	0.622	0.97
144_V	185_F	0.621	0.97
201_T	206_E	0.618	0.96
15_L	28_L	0.617	0.96
69_R	138_L	0.607	0.96
136_L	143_P	0.603	0.96
88_S	122_W	0.600	0.96
70_A	114_V	0.597	0.96
204_K	209_N	0.595	0.96
134_M	138_L	0.593	0.96
74_L	114_V	0.592	0.96
256_Q	259_E	0.591	0.95
225_V	265_L	0.586	0.95
41_I	109_S	0.586	0.95
16_Y	29_Q	0.584	0.95
74_L	119_N	0.582	0.95
137_T	140_A	0.582	0.95
69_R	73_L	0.579	0.95
31_L	163_V	0.577	0.95
132_A	136_L	0.573	0.95
263_E	266_N	0.568	0.94
27_T	188_P	0.568	0.94
262_P	265_L	0.567	0.94
138_L	142_V	0.564	0.94
17_I	211_C	0.562	0.94
23_D	156_V	0.561	0.94
108_S	144_V	0.560	0.94
100_M	242_A	0.558	0.94
108_S	145_F	0.557	0.94
216_R	227_S	0.556	0.94
112_A	135_G	0.556	0.94
174_H	242_A	0.552	0.94
215_A	218_R	0.552	0.94
184_I	218_R	0.548	0.93
114_V	121_L	0.548	0.93
43_I	71_A	0.548	0.93
21_R	158_E	0.547	0.93
227_S	230_L	0.545	0.93
251_E	254_A	0.544	0.93
116_V	120_H	0.543	0.93
43_I	121_L	0.543	0.93
51_I	89_G	0.541	0.93
120_H	123_Q	0.540	0.93
197_R	210_D	0.540	0.93
122_W	125_G	0.539	0.93
113_T	116_V	0.539	0.93
19_G	22_A	0.539	0.93
215_A	219_F	0.537	0.93
139_G	185_F	0.536	0.93
139_G	142_V	0.534	0.92
150_A	165_P	0.532	0.92
204_K	230_L	0.531	0.92
220_R	224_A	0.529	0.92
197_R	200_E	0.529	0.92
211_C	214_I	0.528	0.92
20_Q	144_V	0.528	0.92
98_L	106_G	0.527	0.92
261_A	265_L	0.527	0.92
33_Q	165_P	0.526	0.92
53_L	94_I	0.526	0.92
41_I	94_I	0.525	0.92
49_G	90_A	0.525	0.92
17_I	28_L	0.525	0.92
222_V	226_L	0.525	0.92
74_L	126_L	0.523	0.92
20_Q	190_L	0.522	0.92
211_C	237_L	0.522	0.92
189_E	192_R	0.522	0.92
234_P	248_F	0.522	0.92
31_L	150_A	0.522	0.92
170_Y	245_F	0.519	0.91
89_G	121_L	0.518	0.91
51_I	94_I	0.517	0.91
32_F	185_F	0.516	0.91
261_A	264_W	0.516	0.91
90_A	117_A	0.515	0.91
225_V	244_V	0.514	0.91
45_L	49_G	0.510	0.91
67_I	110_N	0.510	0.91
28_L	188_P	0.509	0.91
212_E	236_R	0.508	0.90
31_L	202_L	0.505	0.90
143_P	151_A	0.504	0.90
55_T	58_E	0.504	0.90
111_A	142_V	0.502	0.90
20_Q	189_E	0.500	0.90

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
2ww4A	2	0.9823	100	0.302	Contact Map
2v8pA	1	0.9152	100	0.331	Contact Map
1uekA	1	0.9152	100	0.332	Contact Map
3pyfA	1	0.9753	100	0.361	Contact Map
3ltoA	2	0.9258	100	0.441	Contact Map
3hulA	4	0.8728	100	0.444	Contact Map
4rpfA	2	0.9399	100	0.459	Contact Map
1h72C	2	0.9152	100	0.461	Contact Map
2gs8A	1	0.9435	100	0.467	Contact Map
4p52A	2	0.9399	100	0.47	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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