ISPH - ECOLI - GREMLIN Contacts

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ISPH - 4-hydroxy-3-methylbut-2-enyl diphosphate reductase

UniProt:	P62623	Sequences: MQILLANPRGFCAGVDRAISIVENALAIYGAPIYVRHEVVHNRYVVDSLRERGAIFIEQISEVPDGAILIFSAHGVSQAVRNEAKSRDLTVFDATCPLVTKVHMEVARASRRGEESILIGHAGHPEVEGTMGQYSNPEGGMYLVESPDDVWKLTVKNEEKLSFMTQTTLSVDDTSDVIDALRKRFPKIVGPRKDDICYATTNRQEAVRALAEQAEVVLVVGSKNSSNSNRLAELAQRMGKRAFLIDDAKDIQEEWVKEVKCVGVTAGASAPDILVQNVVARLQQLGGGEAIPLEGREENIVFEVPKELRVDIREVD	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11081
Length:	316 (283)
Sequences:	2958 (1614)
Seq/√Len:	96.0

ECOLI - ISPH
BACSU - ISPH

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
2_Q	261_C	4.035	1.00
115_E	142_Y	3.472	1.00
150_V	180_A	3.344	1.00
114_E	160_K	3.081	1.00
248_A	277_N	3.015	1.00
82_N	86_S	2.987	1.00
131_M	143_L	2.874	1.00
216_V	259_V	2.803	1.00
219_V	265_T	2.743	1.00
47_D	50_R	2.725	1.00
4_L	213_Q	2.695	1.00
147_P	176_D	2.643	1.00
44_Y	247_D	2.510	1.00
217_V	235_A	2.436	1.00
108_R	112_R	2.361	1.00
106_V	164_M	2.318	1.00
147_P	177_V	2.293	1.00
145_E	149_D	2.285	1.00
47_D	51_E	2.257	1.00
109_A	114_E	2.196	1.00
151_W	180_A	2.121	1.00
61_S	83_E	2.101	1.00
251_I	278_V	2.088	1.00
82_N	85_K	2.066	1.00
107_A	111_R	2.021	1.00
151_W	183_K	2.010	1.00
68_I	90_T	1.993	1.00
243_F	255_W	1.974	1.00
281_R	285_L	1.918	1.00
207_V	235_A	1.908	1.00
241_R	259_V	1.905	1.00
232_A	236_Q	1.901	1.00
4_L	261_C	1.896	1.00
26_L	54_A	1.860	1.00
48_S	52_R	1.849	1.00
83_E	86_S	1.835	1.00
222_S	246_D	1.819	1.00
24_N	27_A	1.812	1.00
25_A	92_F	1.812	1.00
109_A	162_S	1.802	1.00
248_A	281_R	1.785	1.00
253_E	285_L	1.777	1.00
23_E	48_S	1.770	1.00
216_V	243_F	1.767	1.00
209_A	213_Q	1.732	1.00
48_S	273_I	1.723	1.00
214_A	217_V	1.714	1.00
180_A	183_K	1.714	1.00
256_V	262_V	1.690	1.00
181_L	188_I	1.687	1.00
83_E	87_R	1.686	1.00
252_Q	255_W	1.666	1.00
218_L	245_I	1.640	1.00
50_R	55_I	1.627	1.00
211_A	238_M	1.616	1.00
214_A	263_G	1.605	1.00
77_S	132_G	1.593	1.00
43_R	47_D	1.572	1.00
245_I	251_I	1.570	1.00
281_R	284_Q	1.566	1.00
159_E	187_K	1.562	1.00
228_S	244_L	1.540	1.00
146_S	149_D	1.509	1.00
78_Q	107_A	1.508	1.00
27_A	52_R	1.501	1.00
23_E	52_R	1.482	1.00
201_T	205_E	1.467	1.00
160_K	187_K	1.465	1.00
115_E	156_K	1.450	1.00
57_I	63_V	1.428	1.00
148_D	151_W	1.424	1.00
78_Q	132_G	1.424	1.00
247_D	250_D	1.397	0.99
59_Q	62_E	1.390	0.99
8_P	206_A	1.390	0.99
150_V	153_L	1.389	0.99
218_L	251_I	1.387	0.99
106_V	130_T	1.384	0.99
65_D	88_D	1.374	0.99
223_K	250_D	1.374	0.99
220_V	278_V	1.361	0.99
212_E	238_M	1.359	0.99
254_E	257_K	1.347	0.99
3_I	279_V	1.339	0.99
131_M	141_M	1.325	0.99
20_S	24_N	1.318	0.99
22_V	70_I	1.314	0.99
119_I	177_V	1.311	0.99
235_A	242_A	1.310	0.99
216_V	256_V	1.305	0.99
48_S	51_E	1.297	0.99
84_A	89_L	1.296	0.99
115_E	140_G	1.262	0.99
236_Q	241_R	1.255	0.99
4_L	214_A	1.255	0.99
147_P	180_A	1.246	0.99
215_E	259_V	1.245	0.99
13_A	98_L	1.238	0.99
214_A	261_C	1.235	0.99
122_A	149_D	1.223	0.99
172_D	208_R	1.220	0.98
3_I	264_V	1.216	0.98
45_V	48_S	1.199	0.98
32_P	55_I	1.183	0.98
217_V	263_G	1.182	0.98
209_A	212_E	1.180	0.98
150_V	177_V	1.178	0.98
157_N	160_K	1.167	0.98
155_V	158_E	1.164	0.98
144_V	153_L	1.156	0.98
117_I	144_V	1.151	0.98
109_A	112_R	1.140	0.98
36_R	80_V	1.135	0.98
22_V	54_A	1.129	0.97
118_L	164_M	1.128	0.97
264_V	279_V	1.108	0.97
199_A	268_A	1.102	0.97
5_L	279_V	1.093	0.97
44_Y	273_I	1.090	0.97
121_H	226_S	1.088	0.97
109_A	164_M	1.087	0.97
35_V	38_E	1.085	0.97
76_V	80_V	1.084	0.97
104_M	107_A	1.081	0.97
6_A	210_L	1.081	0.97
24_N	28_I	1.081	0.97
179_D	183_K	1.080	0.97
43_R	222_S	1.077	0.97
259_V	262_V	1.074	0.97
249_K	277_N	1.058	0.96
121_H	230_R	1.057	0.96
22_V	35_V	1.051	0.96
223_K	244_L	1.043	0.96
207_V	265_T	1.036	0.96
251_I	256_V	1.032	0.96
78_Q	82_N	1.032	0.96
123_G	128_E	1.030	0.96
43_R	246_D	1.027	0.96
230_R	233_E	1.027	0.96
228_S	267_G	1.024	0.96
180_A	184_R	1.024	0.96
118_L	127_V	1.021	0.95
2_Q	289_E	1.020	0.95
216_V	255_W	1.015	0.95
38_E	224_N	1.013	0.95
163_F	178_I	1.010	0.95
205_E	209_A	1.008	0.95
78_Q	133_Q	1.005	0.95
129_G	132_G	1.004	0.95
35_V	54_A	1.001	0.95
154_T	158_E	0.999	0.95
215_E	260_K	0.997	0.95
17_R	21_I	0.984	0.94
216_V	262_V	0.980	0.94
135_S	140_G	0.980	0.94
175_S	179_D	0.972	0.94
146_S	150_V	0.972	0.94
110_S	134_Y	0.969	0.94
135_S	139_G	0.966	0.94
110_S	140_G	0.963	0.94
7_N	209_A	0.951	0.93
103_H	130_T	0.950	0.93
207_V	217_V	0.948	0.93
69_L	84_A	0.948	0.93
60_I	84_A	0.946	0.93
119_I	163_F	0.942	0.93
218_L	255_W	0.935	0.93
9_R	206_A	0.931	0.93
117_I	153_L	0.931	0.93
114_E	189_V	0.927	0.92
272_D	276_Q	0.925	0.92
31_A	68_I	0.924	0.92
218_L	256_V	0.919	0.92
208_R	237_R	0.914	0.92
165_T	174_T	0.907	0.92
122_A	145_E	0.906	0.92
2_Q	260_K	0.901	0.91
37_H	72_S	0.898	0.91
229_N	232_A	0.890	0.91
38_E	50_R	0.888	0.91
256_V	259_V	0.888	0.91
7_N	206_A	0.887	0.91
101_K	105_E	0.882	0.90
37_H	125_P	0.881	0.90
208_R	234_L	0.875	0.90
81_R	133_Q	0.873	0.90
61_S	87_R	0.860	0.89
280_A	283_Q	0.858	0.89
199_A	206_A	0.857	0.89
253_E	281_R	0.854	0.89
266_A	275_V	0.850	0.89
247_D	277_N	0.847	0.89
179_D	182_R	0.846	0.89
280_A	284_Q	0.842	0.88
78_Q	81_R	0.841	0.88
79_A	82_N	0.840	0.88
29_Y	68_I	0.837	0.88
79_A	83_E	0.831	0.88
232_A	242_A	0.830	0.88
199_A	265_T	0.827	0.87
279_V	283_Q	0.826	0.87
23_E	49_L	0.824	0.87
26_L	52_R	0.819	0.87
169_L	173_D	0.817	0.87
65_D	87_R	0.817	0.87
21_I	24_N	0.813	0.87
77_S	81_R	0.809	0.86
64_P	87_R	0.809	0.86
252_Q	256_V	0.807	0.86
19_I	45_V	0.803	0.86
44_Y	47_D	0.803	0.86
64_P	67_A	0.797	0.85
218_L	243_F	0.794	0.85
115_E	159_E	0.793	0.85
115_E	153_L	0.790	0.85
134_Y	139_G	0.788	0.85
251_I	281_R	0.787	0.85
277_N	282_L	0.786	0.85
142_Y	153_L	0.782	0.84
106_V	116_S	0.776	0.84
39_V	194_D	0.770	0.83
151_W	184_R	0.769	0.83
169_L	226_S	0.768	0.83
148_D	152_K	0.766	0.83
116_S	162_S	0.765	0.83
221_G	267_G	0.763	0.83
81_R	93_D	0.761	0.83
220_V	245_I	0.759	0.83
158_E	187_K	0.756	0.82
33_I	54_A	0.755	0.82
105_E	193_K	0.752	0.82
77_S	133_Q	0.751	0.82
60_I	69_L	0.751	0.82
244_L	251_I	0.751	0.82
161_L	188_I	0.749	0.82
114_E	162_S	0.747	0.81
22_V	49_L	0.746	0.81
111_R	135_S	0.746	0.81
40_V	73_A	0.745	0.81
221_G	228_S	0.745	0.81
282_L	286_G	0.743	0.81
16_D	20_S	0.742	0.81
223_K	246_D	0.737	0.81
123_G	143_L	0.736	0.81
98_L	230_R	0.734	0.80
77_S	128_E	0.733	0.80
39_V	92_F	0.729	0.80
110_S	135_S	0.728	0.80
19_I	49_L	0.728	0.80
226_S	230_R	0.728	0.80
11_F	19_I	0.726	0.80
116_S	164_M	0.725	0.80
105_E	162_S	0.725	0.80
98_L	198_Y	0.724	0.79
63_V	69_L	0.724	0.79
118_L	141_M	0.722	0.79
236_Q	240_K	0.716	0.79
232_A	244_L	0.713	0.78
58_E	62_E	0.713	0.78
200_T	204_Q	0.710	0.78
69_L	89_L	0.710	0.78
110_S	139_G	0.707	0.78
163_F	181_L	0.706	0.78
102_V	226_S	0.702	0.77
102_V	130_T	0.696	0.77
147_P	151_W	0.695	0.77
81_R	100_T	0.692	0.76
118_L	143_L	0.690	0.76
66_G	89_L	0.689	0.76
112_R	160_K	0.686	0.76
220_V	264_V	0.685	0.76
176_D	179_D	0.685	0.76
216_V	239_G	0.685	0.76
5_L	264_V	0.684	0.75
63_V	66_G	0.684	0.75
264_V	278_V	0.681	0.75
131_M	139_G	0.681	0.75
44_Y	222_S	0.679	0.75
235_A	240_K	0.678	0.75
7_N	39_V	0.678	0.75
117_I	161_L	0.678	0.75
25_A	70_I	0.677	0.75
115_E	141_M	0.675	0.75
112_R	189_V	0.675	0.75
13_A	121_H	0.673	0.74
134_Y	140_G	0.670	0.74
77_S	91_V	0.667	0.74
43_R	224_N	0.666	0.74
110_S	116_S	0.665	0.73
22_V	39_V	0.664	0.73
6_A	263_G	0.663	0.73
3_I	283_Q	0.663	0.73
222_S	228_S	0.659	0.73
185_F	188_I	0.650	0.72
39_V	46_V	0.647	0.71
85_K	88_D	0.646	0.71
110_S	118_L	0.645	0.71
103_H	129_G	0.640	0.71
98_L	103_H	0.639	0.70
199_A	204_Q	0.639	0.70
29_Y	92_F	0.639	0.70
173_D	177_V	0.634	0.70
171_V	194_D	0.632	0.70
8_P	202_N	0.630	0.69
106_V	134_Y	0.630	0.69
63_V	275_V	0.629	0.69
118_L	131_M	0.628	0.69
253_E	256_V	0.626	0.69
6_A	16_D	0.626	0.69
148_D	249_K	0.625	0.69
26_L	33_I	0.625	0.69
10_G	14_G	0.624	0.69
149_D	152_K	0.623	0.69
165_T	169_L	0.622	0.68
144_V	149_D	0.622	0.68
10_G	15_V	0.617	0.68
123_G	145_E	0.617	0.68
71_F	84_A	0.616	0.68
245_I	278_V	0.616	0.68
208_R	212_E	0.615	0.68
63_V	67_A	0.614	0.67
35_V	56_F	0.614	0.67
60_I	83_E	0.614	0.67
109_A	160_K	0.614	0.67
104_M	108_R	0.607	0.67
73_A	133_Q	0.605	0.66
12_C	15_V	0.604	0.66
206_A	272_D	0.602	0.66
150_V	181_L	0.600	0.66
156_K	159_E	0.600	0.66
218_L	244_L	0.598	0.65
102_V	167_T	0.597	0.65
57_I	64_P	0.596	0.65
208_R	238_M	0.596	0.65
216_V	252_Q	0.594	0.65
3_I	262_V	0.594	0.65
264_V	286_G	0.592	0.65
76_V	81_R	0.590	0.64
34_Y	55_I	0.589	0.64
198_Y	202_N	0.588	0.64
119_I	173_D	0.587	0.64
63_V	87_R	0.586	0.64
276_Q	282_L	0.583	0.63
98_L	121_H	0.579	0.63
23_E	26_L	0.579	0.63
78_Q	134_Y	0.577	0.63
43_R	250_D	0.576	0.63
38_E	43_R	0.576	0.63
109_A	189_V	0.572	0.62
210_L	217_V	0.571	0.62
229_N	244_L	0.570	0.62
127_V	130_T	0.568	0.61
232_A	256_V	0.567	0.61
116_S	134_Y	0.566	0.61
243_F	254_E	0.565	0.61
144_V	150_V	0.563	0.61
160_K	245_I	0.563	0.61
114_E	187_K	0.561	0.60
40_V	95_T	0.561	0.60
134_Y	141_M	0.560	0.60
143_L	149_D	0.560	0.60
104_M	112_R	0.558	0.60
199_A	266_A	0.558	0.60
109_A	118_L	0.557	0.60
17_R	22_V	0.557	0.60
123_G	133_Q	0.556	0.60
22_V	26_L	0.555	0.60
35_V	94_A	0.554	0.60
72_S	174_T	0.552	0.59
200_T	230_R	0.552	0.59
92_F	106_V	0.551	0.59
211_A	240_K	0.550	0.59
231_L	265_T	0.550	0.59
16_D	272_D	0.549	0.59
121_H	145_E	0.547	0.59
119_I	169_L	0.544	0.58
153_L	184_R	0.542	0.58
68_I	92_F	0.540	0.58
276_Q	283_Q	0.540	0.58
204_Q	268_A	0.540	0.58
77_S	141_M	0.539	0.57
200_T	231_L	0.538	0.57
206_A	210_L	0.535	0.57
246_D	250_D	0.535	0.57
115_E	161_L	0.531	0.56
154_T	157_N	0.531	0.56
232_A	239_G	0.531	0.56
255_W	259_V	0.531	0.56
34_Y	57_I	0.530	0.56
267_G	275_V	0.528	0.56
26_L	53_G	0.525	0.56
146_S	173_D	0.524	0.55
57_I	84_A	0.523	0.55
6_A	220_V	0.522	0.55
106_V	162_S	0.521	0.55
232_A	245_I	0.521	0.55
110_S	133_Q	0.521	0.55
5_L	201_T	0.520	0.55
142_Y	154_T	0.520	0.55
10_G	210_L	0.520	0.55
46_V	235_A	0.519	0.55
110_S	141_M	0.516	0.54
260_K	280_A	0.516	0.54
20_S	23_E	0.515	0.54
113_G	156_K	0.515	0.54
40_V	98_L	0.515	0.54
84_A	91_V	0.515	0.54
11_F	15_V	0.514	0.54
169_L	174_T	0.513	0.54
116_S	193_K	0.513	0.54
155_V	161_L	0.512	0.54
240_K	259_V	0.511	0.54
255_W	258_E	0.510	0.53
106_V	110_S	0.510	0.53
108_R	111_R	0.509	0.53
93_D	100_T	0.508	0.53
31_A	90_T	0.507	0.53
111_R	156_K	0.506	0.53
4_L	210_L	0.505	0.53
9_R	103_H	0.502	0.52
174_T	178_I	0.501	0.52
200_T	268_A	0.500	0.52
57_I	69_L	0.500	0.52
119_I	174_T	0.500	0.52

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
4h4dA	1	0.981	100	0.039	Contact Map
4n7bA	1	0.9905	100	0.039	Contact Map
3dnfA	2	0.8892	100	0.082	Contact Map
4toiA	2	0.731	100	0.692	Contact Map
4jenA	2	0.3481	85.4	0.956	Contact Map
3uk0A	1	0.4905	75.5	0.96	Contact Map
4f40A	1	0.8006	72.1	0.961	Contact Map
3hsyA	2	0.462	71.2	0.961	Contact Map
3k4hA	2	0.4968	68.4	0.962	Contact Map
4rk6A	2	0.4778	66.6	0.962	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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