KDUI - ECOLI - GREMLIN Contacts

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KDUI - 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase

UniProt:	Q46938	Sequences: MDVRQSIHSAHAKTLDTQGLRNEFLVEKVFVADEYTMVYSHIDRIIVGGIMPITKTVSVGGEVGKQLGVSYFLERRELGVINIGGAGTITVDGQCYEIGHRDALYVGKGAKEVVFASIDTGTPAKFYYNCAPAHTTYPTKKVTPDEVSPVTLGDNLTSNRRTINKYFVPDVLETCQLSMGLTELAPGNLWNTMPCHTHERRMEVYFYFNMDDDACVFHMMGQPQETRHIVMHNEQAVISPSWSIHSGVGTKAYTFIWGMVGENQVFDDMDHVAVKDLR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13096
Length:	278 (275)
Sequences:	721 (449)
Seq/√Len:	27.1

ECOLI - KDUI
BACSU - KDUI

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
33_D	53_I	4.109	1.00
129_N	258_G	3.779	1.00
27_E	235_Q	3.778	1.00
87_G	126_F	3.495	1.00
91_V	110_A	3.452	1.00
11_H	15_L	3.446	1.00
71_Y	74_E	3.027	1.00
148_S	165_K	2.815	1.00
106_V	139_T	2.786	1.00
125_K	234_E	2.723	1.00
83_I	206_F	2.718	1.00
12_A	20_L	2.617	0.99
91_V	106_V	2.587	0.99
16_D	19_G	2.476	0.99
78_L	106_V	2.476	0.99
273_A	276_D	2.457	0.99
181_L	254_T	2.425	0.99
31_V	34_E	2.382	0.99
215_C	232_H	2.361	0.99
100_H	209_N	2.321	0.98
88_T	116_A	2.313	0.98
217_F	230_V	2.190	0.98
117_S	123_P	2.165	0.98
229_I	237_V	2.159	0.97
78_L	128_Y	2.122	0.97
18_Q	22_N	2.119	0.97
65_K	68_G	2.109	0.97
189_L	248_V	2.051	0.97
37_M	128_Y	2.024	0.96
156_L	186_P	2.023	0.96
158_S	189_L	2.018	0.96
15_L	19_G	1.987	0.96
149_P	164_N	1.981	0.96
90_T	116_A	1.968	0.96
37_M	46_I	1.968	0.96
160_R	185_A	1.918	0.95
35_Y	57_V	1.907	0.95
150_V	165_K	1.906	0.95
210_M	214_A	1.879	0.94
50_I	57_V	1.833	0.93
117_S	124_A	1.829	0.93
8_H	11_H	1.799	0.93
119_D	122_T	1.794	0.93
19_G	23_E	1.779	0.92
70_S	74_E	1.749	0.92
167_F	174_T	1.746	0.92
37_M	48_G	1.744	0.92
142_V	172_L	1.734	0.91
33_D	56_T	1.710	0.91
73_L	78_L	1.707	0.91
26_V	238_I	1.691	0.90
107_G	138_P	1.682	0.90
56_T	116_A	1.645	0.89
14_T	19_G	1.641	0.89
86_A	99_G	1.638	0.89
26_V	47_V	1.626	0.88
168_V	171_V	1.613	0.88
154_D	157_T	1.591	0.87
154_D	160_R	1.581	0.87
135_T	173_E	1.579	0.87
45_I	204_V	1.566	0.86
8_H	23_E	1.544	0.86
33_D	54_T	1.528	0.85
86_A	118_I	1.515	0.85
79_G	179_M	1.483	0.83
131_A	260_V	1.479	0.83
51_M	125_K	1.452	0.82
13_K	16_D	1.437	0.81
88_T	118_I	1.433	0.81
155_N	160_R	1.416	0.80
231_M	235_Q	1.381	0.79
33_D	51_M	1.377	0.78
95_C	116_A	1.374	0.78
6_S	42_I	1.353	0.77
58_S	112_E	1.342	0.77
45_I	260_V	1.340	0.76
151_T	160_R	1.325	0.76
150_V	267_D	1.324	0.76
181_L	256_I	1.321	0.75
25_L	231_M	1.316	0.75
156_L	188_N	1.314	0.75
143_T	146_E	1.313	0.75
30_F	206_F	1.308	0.75
81_I	256_I	1.290	0.74
7_I	12_A	1.286	0.73
142_V	171_V	1.283	0.73
88_T	95_C	1.282	0.73
41_H	241_S	1.255	0.71
28_K	31_V	1.232	0.70
51_M	206_F	1.231	0.70
40_S	238_I	1.228	0.70
266_F	269_M	1.218	0.69
28_K	235_Q	1.217	0.69
2_D	38_V	1.206	0.68
148_S	170_D	1.196	0.68
18_Q	225_E	1.195	0.68
165_K	170_D	1.191	0.67
83_I	256_I	1.188	0.67
215_C	230_V	1.174	0.66
5_Q	222_Q	1.169	0.66
103_A	171_V	1.169	0.66
80_V	104_L	1.168	0.66
140_K	174_T	1.167	0.66
98_I	102_D	1.164	0.66
211_D	251_K	1.162	0.65
30_F	51_M	1.157	0.65
186_P	252_A	1.150	0.65
107_G	139_T	1.147	0.64
266_F	271_H	1.144	0.64
149_P	166_Y	1.144	0.64
90_T	95_C	1.142	0.64
167_F	171_V	1.138	0.64
103_A	166_Y	1.130	0.63
42_I	241_S	1.123	0.63
91_V	139_T	1.121	0.63
164_N	183_E	1.109	0.62
137_Y	173_E	1.107	0.62
192_T	246_S	1.107	0.62
98_I	104_L	1.107	0.62
102_D	144_P	1.100	0.61
165_K	168_V	1.100	0.61
86_A	97_E	1.088	0.60
12_A	24_F	1.087	0.60
7_I	24_F	1.066	0.59
155_N	188_N	1.064	0.58
98_I	141_K	1.064	0.58
97_E	118_I	1.060	0.58
10_A	22_N	1.053	0.58
27_E	49_G	1.053	0.58
108_K	136_T	1.048	0.57
80_V	89_I	1.040	0.57
32_A	51_M	1.028	0.56
178_S	266_F	1.017	0.55
33_D	55_K	1.014	0.55
102_D	143_T	1.005	0.54
58_S	62_E	1.002	0.54
4_R	238_I	0.989	0.53
103_A	172_L	0.980	0.52
92_D	111_K	0.979	0.52
147_V	162_T	0.978	0.52
83_I	234_E	0.969	0.51
223_P	272_V	0.965	0.51
15_L	23_E	0.964	0.51
144_P	183_E	0.960	0.51
13_K	225_E	0.948	0.50
101_R	183_E	0.948	0.50
96_Y	139_T	0.948	0.50
140_K	146_E	0.941	0.49
171_V	178_S	0.939	0.49
46_I	72_F	0.938	0.49
11_H	19_G	0.938	0.49
70_S	265_V	0.935	0.49
178_S	264_Q	0.935	0.49
79_G	167_F	0.932	0.49
81_I	179_M	0.931	0.49
78_L	89_I	0.929	0.48
63_V	69_V	0.929	0.48
155_N	158_S	0.915	0.47
151_T	185_A	0.913	0.47
107_G	136_T	0.911	0.47
151_T	162_T	0.906	0.47
241_S	267_D	0.905	0.47
46_I	67_L	0.900	0.46
68_G	169_P	0.899	0.46
183_E	254_T	0.899	0.46
211_D	214_A	0.891	0.46
7_I	23_E	0.888	0.45
89_I	106_V	0.883	0.45
5_Q	199_E	0.881	0.45
94_Q	110_A	0.874	0.44
92_D	110_A	0.873	0.44
8_H	15_L	0.871	0.44
140_K	173_E	0.864	0.43
29_V	86_A	0.859	0.43
217_F	265_V	0.859	0.43
35_Y	50_I	0.856	0.43
101_R	181_L	0.851	0.43
62_E	67_L	0.850	0.42
41_H	199_E	0.847	0.42
199_E	241_S	0.844	0.42
192_T	216_V	0.838	0.42
12_A	131_A	0.837	0.42
90_T	112_E	0.833	0.41
81_I	103_A	0.830	0.41
51_M	57_V	0.827	0.41
28_K	36_T	0.824	0.41
149_P	165_K	0.823	0.40
46_I	260_V	0.822	0.40
33_D	57_V	0.817	0.40
4_R	38_V	0.815	0.40
142_V	169_P	0.814	0.40
197_T	241_S	0.814	0.40
162_T	185_A	0.814	0.40
42_I	264_Q	0.813	0.40
25_L	235_Q	0.811	0.40
35_Y	108_K	0.809	0.39
157_T	187_G	0.807	0.39
43_D	202_M	0.806	0.39
119_D	123_P	0.805	0.39
165_K	169_P	0.804	0.39
68_G	265_V	0.803	0.39
168_V	174_T	0.803	0.39
266_F	270_D	0.803	0.39
231_M	237_V	0.801	0.39
24_F	42_I	0.798	0.39
150_V	266_F	0.798	0.39
91_V	104_L	0.792	0.38
106_V	113_V	0.789	0.38
96_Y	227_R	0.788	0.38
32_A	56_T	0.787	0.38
11_H	14_T	0.785	0.38
71_Y	111_K	0.784	0.38
152_L	163_I	0.774	0.37
134_H	176_Q	0.773	0.37
204_V	238_I	0.767	0.36
57_V	63_V	0.766	0.36
7_I	15_L	0.766	0.36
43_D	197_T	0.764	0.36
132_P	206_F	0.761	0.36
230_V	274_V	0.758	0.36
174_T	178_S	0.758	0.36
10_A	23_E	0.753	0.36
53_I	123_P	0.746	0.35
131_A	202_M	0.743	0.35
103_A	168_V	0.742	0.35
13_K	254_T	0.739	0.35
62_E	69_V	0.739	0.35
169_P	178_S	0.731	0.34
17_T	226_T	0.730	0.34
232_H	274_V	0.729	0.34
99_G	102_D	0.724	0.34
24_F	83_I	0.721	0.33
25_L	229_I	0.721	0.33
32_A	53_I	0.717	0.33
85_G	117_S	0.716	0.33
154_D	189_L	0.716	0.33
156_L	187_G	0.711	0.33
42_I	204_V	0.707	0.32
67_L	262_E	0.707	0.32
244_I	277_L	0.704	0.32
114_V	118_I	0.704	0.32
53_I	85_G	0.704	0.32
68_G	264_Q	0.699	0.32
185_A	269_M	0.698	0.32
10_A	19_G	0.696	0.32
126_F	204_V	0.694	0.32
195_C	274_V	0.687	0.31
150_V	171_V	0.683	0.31
101_R	106_V	0.677	0.30
212_D	275_K	0.677	0.30
69_V	264_Q	0.675	0.30
110_A	136_T	0.670	0.30
102_D	166_Y	0.670	0.30
117_S	125_K	0.668	0.30
53_I	56_T	0.664	0.30
165_K	267_D	0.660	0.29
33_D	206_F	0.659	0.29
216_V	231_M	0.658	0.29
142_V	167_F	0.657	0.29
223_P	244_I	0.656	0.29
103_A	129_N	0.651	0.29
18_Q	122_T	0.651	0.29
57_V	206_F	0.650	0.29
157_T	188_N	0.647	0.29
197_T	267_D	0.646	0.29
107_G	110_A	0.644	0.28
219_M	229_I	0.641	0.28
192_T	231_M	0.640	0.28
152_L	266_F	0.639	0.28
109_G	136_T	0.637	0.28
133_A	175_C	0.635	0.28
195_C	272_V	0.634	0.28
178_S	197_T	0.634	0.28
148_S	267_D	0.633	0.28
168_V	267_D	0.632	0.28
168_V	264_Q	0.629	0.27
69_V	78_L	0.628	0.27
5_Q	9_S	0.627	0.27
11_H	23_E	0.627	0.27
31_V	49_G	0.626	0.27
206_F	237_V	0.625	0.27
6_S	37_M	0.625	0.27
9_S	48_G	0.623	0.27
132_P	157_T	0.623	0.27
158_S	187_G	0.621	0.27
113_V	278_R	0.621	0.27
158_S	278_R	0.620	0.27
89_I	92_D	0.620	0.27
85_G	123_P	0.619	0.27
103_A	142_V	0.618	0.27
99_G	145_D	0.617	0.27
103_A	174_T	0.617	0.27
138_P	206_F	0.616	0.27
170_D	231_M	0.614	0.27
89_I	122_T	0.614	0.27
59_V	63_V	0.613	0.27
9_S	222_Q	0.611	0.26
87_G	117_S	0.610	0.26
5_Q	135_T	0.610	0.26
155_N	163_I	0.609	0.26
209_N	231_M	0.608	0.26
50_I	170_D	0.607	0.26
117_S	120_T	0.603	0.26
65_K	148_S	0.603	0.26
189_L	222_Q	0.603	0.26
150_V	162_T	0.602	0.26
13_K	227_R	0.602	0.26
32_A	54_T	0.602	0.26
167_F	179_M	0.601	0.26
42_I	260_V	0.598	0.26
165_K	171_V	0.598	0.26
211_D	215_C	0.598	0.26
56_T	90_T	0.597	0.26
45_I	129_N	0.597	0.26
49_G	256_I	0.594	0.25
169_P	172_L	0.594	0.25
93_G	110_A	0.593	0.25
80_V	115_F	0.587	0.25
155_N	186_P	0.586	0.25
45_I	202_M	0.585	0.25
155_N	185_A	0.584	0.25
148_S	168_V	0.581	0.25
18_Q	224_Q	0.578	0.25
144_P	166_Y	0.576	0.24
53_I	120_T	0.575	0.24
120_T	123_P	0.572	0.24
75_R	108_K	0.571	0.24
73_L	202_M	0.571	0.24
38_V	235_Q	0.570	0.24
22_N	88_T	0.569	0.24
183_E	209_N	0.568	0.24
29_V	36_T	0.568	0.24
12_A	223_P	0.567	0.24
65_K	169_P	0.560	0.24
89_I	139_T	0.559	0.23
171_V	174_T	0.559	0.23
197_T	270_D	0.559	0.23
48_G	215_C	0.557	0.23
171_V	271_H	0.556	0.23
210_M	254_T	0.556	0.23
168_V	178_S	0.555	0.23
131_A	174_T	0.554	0.23
18_Q	278_R	0.553	0.23
112_E	210_M	0.551	0.23
68_G	199_E	0.550	0.23
141_K	146_E	0.548	0.23
14_T	35_Y	0.548	0.23
274_V	277_L	0.547	0.23
106_V	143_T	0.546	0.23
37_M	170_D	0.546	0.23
272_V	276_D	0.545	0.23
150_V	163_I	0.545	0.23
29_V	54_T	0.543	0.23
179_M	269_M	0.542	0.23
35_Y	46_I	0.542	0.23
74_E	110_A	0.542	0.23
73_L	106_V	0.541	0.23
214_A	274_V	0.540	0.22
68_G	217_F	0.538	0.22
21_R	25_L	0.538	0.22
71_Y	108_K	0.537	0.22
8_H	166_Y	0.536	0.22
213_D	230_V	0.534	0.22
231_M	249_G	0.533	0.22
35_Y	179_M	0.533	0.22
158_S	248_V	0.533	0.22
140_K	172_L	0.532	0.22
128_Y	154_D	0.530	0.22
151_T	219_M	0.530	0.22
88_T	114_V	0.530	0.22
150_V	189_L	0.530	0.22
37_M	78_L	0.529	0.22
101_R	129_N	0.529	0.22
129_N	142_V	0.528	0.22
86_A	121_G	0.528	0.22
31_V	36_T	0.527	0.22
47_V	204_V	0.526	0.22
136_T	210_M	0.525	0.22
80_V	126_F	0.525	0.22
172_L	178_S	0.522	0.22
144_P	164_N	0.522	0.22
217_F	228_H	0.522	0.22
197_T	264_Q	0.522	0.22
102_D	272_V	0.522	0.22
59_V	69_V	0.521	0.21
139_T	236_A	0.520	0.21
168_V	215_C	0.519	0.21
41_H	131_A	0.517	0.21
89_I	98_I	0.516	0.21
129_N	206_F	0.516	0.21
169_P	266_F	0.516	0.21
24_F	249_G	0.515	0.21
184_L	252_A	0.515	0.21
236_A	256_I	0.513	0.21
43_D	226_T	0.511	0.21
41_H	247_G	0.511	0.21
87_G	124_A	0.510	0.21
56_T	86_A	0.510	0.21
202_M	260_V	0.510	0.21
3_V	199_E	0.509	0.21
102_D	168_V	0.508	0.21
210_M	251_K	0.508	0.21
22_N	213_D	0.506	0.21
110_A	139_T	0.506	0.21
183_E	273_A	0.505	0.21
17_T	195_C	0.504	0.21
88_T	97_E	0.504	0.21
13_K	278_R	0.503	0.21
6_S	19_G	0.501	0.20
197_T	269_M	0.500	0.20
104_L	110_A	0.500	0.20
43_D	150_V	0.500	0.20

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
1ywkA	1	0.9101	100	0.298	Contact Map
1xruA	3	0.9928	100	0.3	Contact Map
2qjvA	4	0.8201	100	0.611	Contact Map
2vqaA	3	0.8957	96.5	0.955	Contact Map
3rnsA	1	0.7266	96.2	0.956	Contact Map
1sefA	5	0.8237	95.8	0.958	Contact Map
1sq4A	5	0.8921	95.7	0.958	Contact Map
1uijA	3	0.8849	95.7	0.958	Contact Map
1rc6A	4	0.8022	95.5	0.958	Contact Map
3h7jA	1	0.7878	95.5	0.958	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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