KDUI - BACSU - GREMLIN Contacts

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

UniProt:	P50843	Sequences: MENRYSVHPEQVKRFTTEELRSHFLMDSLFTENKLTMYYSHEDRVVIGGAAPGQSELKLDAGDFLKTDFFLERREIGIINVGQPGAVRVGDDEYVLQTKDFLYIGMGNQDVSFSSLNGEKAKFYFVSACAHKSYPTQKAALSELTPDRLGDDAASNVRSLYKVIHQDGIKSCQLMMGITMLDQNNNWNTMPAHVHDRRMEAYLYLDLEKDSKVFHFMGQPDETRHLVVGNEQAVLSPAWSIHSGAGTSNYSFVWAMAGENYTFTDMDLIPMDGLK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	275 (273)
Sequences:	714 (441)
Seq/√Len:	26.7

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_N	53_G	4.133	1.00
27_D	232_Q	3.730	1.00
126_V	255_A	3.679	1.00
89_V	108_N	3.432	1.00
85_G	123_F	3.431	1.00
11_Q	15_F	3.385	1.00
69_F	72_E	3.006	1.00
145_T	162_K	2.801	1.00
104_I	136_T	2.745	1.00
81_V	203_L	2.725	1.00
122_K	231_E	2.702	0.99
12_V	20_L	2.598	0.99
89_V	104_I	2.546	0.99
16_T	19_E	2.466	0.99
76_I	104_I	2.443	0.99
31_T	34_K	2.410	0.99
270_P	273_G	2.392	0.99
178_I	251_S	2.392	0.99
115_S	120_K	2.375	0.99
212_K	229_G	2.336	0.98
86_A	114_S	2.335	0.98
98_T	206_D	2.243	0.98
18_E	22_S	2.162	0.97
214_F	227_V	2.147	0.97
226_L	234_V	2.126	0.97
76_I	125_F	2.109	0.97
153_A	183_Q	2.102	0.97
63_D	66_K	2.097	0.97
186_N	245_A	2.036	0.96
37_M	125_F	2.030	0.96
15_F	19_E	2.022	0.96
155_S	186_N	1.992	0.96
146_P	161_Y	1.959	0.95
37_M	46_V	1.953	0.95
88_R	114_S	1.937	0.95
157_V	182_D	1.912	0.95
147_D	162_K	1.882	0.94
115_S	121_A	1.864	0.94
35_L	57_L	1.843	0.93
207_L	211_S	1.837	0.93
8_H	11_Q	1.812	0.93
19_E	23_H	1.808	0.93
50_A	57_L	1.763	0.92
37_M	48_G	1.754	0.92
164_I	171_S	1.744	0.91
26_M	235_L	1.741	0.91
68_D	72_E	1.731	0.91
33_N	56_E	1.695	0.90
139_A	169_I	1.692	0.90
105_G	135_P	1.691	0.90
71_L	76_I	1.681	0.90
84_P	97_Q	1.670	0.89
56_E	114_S	1.645	0.89
26_M	47_I	1.632	0.88
14_R	19_E	1.617	0.88
33_N	54_Q	1.609	0.88
151_D	154_A	1.586	0.87
132_K	170_K	1.578	0.87
45_V	201_A	1.575	0.86
84_P	116_L	1.563	0.86
8_H	23_H	1.547	0.85
165_H	168_G	1.541	0.85
151_D	157_V	1.527	0.85
128_A	257_A	1.525	0.85
51_A	122_K	1.507	0.84
77_G	176_M	1.465	0.82
86_A	116_L	1.457	0.82
152_D	157_V	1.424	0.80
13_K	16_T	1.414	0.80
228_V	232_Q	1.411	0.80
33_N	51_A	1.389	0.78
153_A	185_N	1.374	0.78
93_E	114_S	1.371	0.78
6_S	42_E	1.347	0.76
25_L	228_V	1.344	0.76
140_A	143_E	1.326	0.75
45_V	257_A	1.324	0.75
148_R	157_V	1.324	0.75
147_D	264_T	1.320	0.75
164_I	168_G	1.311	0.74
178_I	253_V	1.311	0.74
2_E	38_Y	1.309	0.74
30_F	203_L	1.307	0.74
58_K	110_D	1.303	0.74
7_V	12_V	1.286	0.73
28_S	31_T	1.268	0.72
78_I	102_L	1.252	0.71
79_I	253_V	1.251	0.71
51_A	203_L	1.246	0.70
86_A	93_E	1.246	0.70
208_E	248_S	1.241	0.70
41_H	238_A	1.234	0.70
139_A	168_G	1.226	0.69
162_K	167_D	1.214	0.68
84_P	95_V	1.212	0.68
40_S	235_L	1.208	0.68
18_E	222_E	1.198	0.67
28_S	232_Q	1.189	0.67
145_T	167_D	1.188	0.67
263_F	266_M	1.188	0.67
134_Y	170_K	1.184	0.66
96_L	100_D	1.175	0.66
137_Q	171_S	1.174	0.66
5_Y	219_Q	1.173	0.66
212_K	227_V	1.165	0.65
81_V	253_V	1.163	0.65
105_G	136_T	1.163	0.65
183_Q	249_N	1.161	0.65
263_F	268_L	1.160	0.65
100_D	141_L	1.150	0.64
32_E	51_A	1.137	0.63
30_F	51_A	1.136	0.63
161_Y	180_M	1.129	0.63
152_D	185_N	1.125	0.62
89_V	136_T	1.120	0.62
189_T	243_S	1.118	0.62
101_F	168_G	1.114	0.61
146_P	163_V	1.114	0.61
101_F	163_V	1.113	0.61
162_K	165_H	1.111	0.61
88_R	93_E	1.108	0.61
96_L	102_L	1.096	0.60
42_E	238_A	1.089	0.60
10_E	22_S	1.077	0.59
96_L	138_K	1.076	0.59
117_N	120_K	1.060	0.58
78_I	87_V	1.060	0.58
12_V	24_F	1.059	0.58
7_V	24_F	1.052	0.57
95_V	116_L	1.051	0.57
106_M	133_S	1.041	0.56
76_I	87_V	1.041	0.56
27_D	49_G	1.016	0.54
175_M	263_F	1.006	0.54
61_A	67_T	0.989	0.52
90_G	109_Q	0.989	0.52
141_L	180_M	0.989	0.52
68_D	262_T	0.984	0.52
101_F	169_I	0.982	0.52
77_G	164_I	0.980	0.52
100_D	140_A	0.976	0.51
144_L	159_S	0.972	0.51
81_V	231_E	0.970	0.51
99_K	180_M	0.965	0.51
4_R	235_L	0.963	0.50
148_R	182_D	0.962	0.50
220_P	269_I	0.957	0.50
33_N	55_S	0.949	0.49
15_F	23_H	0.946	0.49
94_Y	136_T	0.943	0.49
137_Q	143_E	0.941	0.49
152_D	155_S	0.938	0.49
13_K	222_E	0.936	0.48
11_Q	19_E	0.934	0.48
238_A	264_T	0.932	0.48
175_M	261_Y	0.932	0.48
180_M	251_S	0.929	0.48
168_G	175_M	0.922	0.47
46_V	70_F	0.919	0.47
105_G	133_S	0.918	0.47
7_V	23_H	0.913	0.47
46_V	65_L	0.912	0.47
5_Y	196_D	0.911	0.46
208_E	211_S	0.909	0.46
92_D	108_N	0.905	0.46
79_I	176_M	0.901	0.46
228_V	234_V	0.881	0.44
146_P	162_K	0.881	0.44
148_R	159_S	0.880	0.44
8_H	15_F	0.866	0.43
35_L	106_M	0.865	0.43
159_S	182_D	0.864	0.43
46_V	257_A	0.864	0.43
66_K	166_Q	0.864	0.43
90_G	108_N	0.858	0.43
214_F	262_T	0.857	0.43
99_K	178_I	0.856	0.42
35_L	50_A	0.856	0.42
137_Q	170_K	0.852	0.42
88_R	110_D	0.848	0.42
87_V	104_I	0.847	0.42
196_D	238_A	0.839	0.41
189_T	213_V	0.835	0.41
29_L	84_P	0.829	0.40
51_A	57_L	0.827	0.40
4_R	38_Y	0.825	0.40
12_V	128_A	0.822	0.40
43_D	199_M	0.821	0.40
33_N	57_L	0.820	0.40
25_L	232_Q	0.816	0.40
263_F	267_D	0.814	0.39
41_H	196_D	0.813	0.39
69_F	109_Q	0.810	0.39
28_S	36_T	0.810	0.39
7_V	15_F	0.809	0.39
42_E	261_Y	0.809	0.39
162_K	166_Q	0.804	0.39
154_A	184_N	0.804	0.39
165_H	171_S	0.804	0.39
66_K	262_T	0.803	0.39
79_I	101_F	0.797	0.38
147_D	168_G	0.788	0.38
94_Y	224_R	0.786	0.37
32_E	56_E	0.784	0.37
194_V	238_A	0.782	0.37
149_L	160_L	0.781	0.37
139_A	166_Q	0.781	0.37
89_V	102_L	0.777	0.37
11_Q	14_R	0.776	0.37
131_H	173_Q	0.775	0.37
24_F	42_E	0.769	0.36
147_D	263_F	0.769	0.36
43_D	194_V	0.769	0.36
128_A	199_M	0.766	0.36
171_S	175_M	0.766	0.36
60_D	67_T	0.762	0.36
104_I	111_V	0.757	0.35
227_V	271_M	0.756	0.35
10_E	23_H	0.751	0.35
229_G	271_M	0.751	0.35
13_K	251_S	0.748	0.35
10_E	19_E	0.747	0.35
101_F	165_H	0.746	0.35
65_L	259_E	0.743	0.34
53_G	120_K	0.743	0.34
201_A	235_L	0.733	0.34
129_C	203_L	0.732	0.34
123_F	201_A	0.732	0.34
32_E	53_G	0.730	0.34
166_Q	175_M	0.722	0.33
25_L	226_L	0.717	0.33
151_D	186_N	0.713	0.32
24_F	81_V	0.713	0.32
153_A	184_N	0.713	0.32
42_E	201_A	0.708	0.32
17_T	223_T	0.704	0.32
115_S	122_K	0.701	0.32
182_D	266_M	0.695	0.31
194_V	264_T	0.695	0.31
100_D	163_V	0.693	0.31
139_A	164_I	0.693	0.31
115_S	118_G	0.691	0.31
66_K	261_Y	0.690	0.31
97_Q	142_S	0.689	0.31
97_Q	100_D	0.687	0.31
192_A	271_M	0.687	0.31
213_V	228_V	0.686	0.31
162_K	264_T	0.685	0.31
105_G	108_N	0.679	0.30
99_K	104_I	0.677	0.30
108_N	133_S	0.676	0.30
61_A	65_L	0.668	0.30
6_S	37_M	0.668	0.30
220_P	241_I	0.664	0.29
101_F	126_V	0.663	0.29
11_Q	23_H	0.662	0.29
53_G	56_E	0.662	0.29
269_I	273_G	0.659	0.29
165_H	264_T	0.658	0.29
165_H	261_Y	0.656	0.29
5_Y	9_P	0.653	0.29
83_Q	115_S	0.652	0.29
216_F	226_L	0.648	0.28
107_G	133_S	0.646	0.28
135_P	203_L	0.646	0.28
149_L	263_F	0.645	0.28
33_N	203_L	0.645	0.28
167_D	228_V	0.644	0.28
56_E	88_R	0.644	0.28
175_M	194_V	0.643	0.28
189_T	228_V	0.642	0.28
67_T	76_I	0.642	0.28
209_K	272_D	0.639	0.28
164_I	176_M	0.639	0.28
57_L	203_L	0.638	0.28
203_L	234_V	0.637	0.28
31_T	49_G	0.634	0.27
9_P	48_G	0.633	0.27
67_T	261_Y	0.633	0.27
192_A	269_I	0.632	0.27
145_T	264_T	0.630	0.27
155_S	184_N	0.627	0.27
101_F	139_A	0.626	0.27
208_E	212_K	0.624	0.27
152_D	183_Q	0.621	0.27
87_V	90_G	0.620	0.27
130_A	172_C	0.619	0.27
50_A	167_D	0.616	0.26
12_V	220_P	0.616	0.26
42_E	257_A	0.616	0.26
154_A	185_N	0.614	0.26
147_D	159_S	0.613	0.26
186_N	219_Q	0.612	0.26
241_I	274_L	0.612	0.26
141_L	163_V	0.611	0.26
85_G	115_S	0.611	0.26
101_F	171_S	0.609	0.26
32_E	54_Q	0.606	0.26
91_D	108_N	0.605	0.26
152_D	182_D	0.604	0.26
49_G	253_V	0.603	0.26
206_D	228_V	0.602	0.26
9_P	219_Q	0.602	0.26
45_V	199_M	0.600	0.26
152_D	160_L	0.599	0.25
38_Y	232_Q	0.596	0.25
78_I	113_F	0.595	0.25
166_Q	169_I	0.593	0.25
129_C	154_A	0.592	0.25
180_M	206_D	0.592	0.25
18_E	119_E	0.590	0.25
213_V	244_G	0.590	0.25
73_R	106_M	0.590	0.25
45_V	126_V	0.587	0.25
22_S	86_A	0.587	0.25
13_K	224_R	0.585	0.25
48_G	212_K	0.585	0.25
271_M	274_L	0.582	0.24
145_T	165_H	0.582	0.24
18_E	221_D	0.581	0.24
155_S	245_A	0.581	0.24
210_D	227_V	0.576	0.24
63_D	166_Q	0.571	0.24
66_K	196_D	0.571	0.24
27_D	83_Q	0.569	0.24
21_R	25_L	0.567	0.24
79_I	83_Q	0.566	0.24
194_V	267_D	0.565	0.24
87_V	136_T	0.565	0.24
112_S	116_L	0.564	0.24
165_H	175_M	0.563	0.23
71_L	199_M	0.561	0.23
167_D	170_K	0.560	0.23
71_L	104_I	0.560	0.23
104_I	140_A	0.558	0.23
8_H	163_V	0.558	0.23
128_A	171_S	0.557	0.23
61_A	111_V	0.557	0.23
211_S	271_M	0.554	0.23
5_Y	132_K	0.554	0.23
14_R	35_L	0.553	0.23
83_Q	96_L	0.551	0.23
89_V	92_D	0.550	0.23
136_T	233_A	0.550	0.23
72_E	108_N	0.550	0.23
60_D	90_G	0.549	0.23
126_V	203_L	0.549	0.23
3_N	196_D	0.549	0.23
146_P	159_S	0.549	0.23
87_V	137_Q	0.548	0.23
176_M	266_M	0.548	0.23
87_V	119_E	0.548	0.23
207_L	251_S	0.548	0.23
207_L	248_S	0.548	0.23
87_V	96_L	0.548	0.23
29_L	54_Q	0.546	0.23
199_M	257_A	0.545	0.22
147_D	186_N	0.544	0.22
228_V	246_G	0.544	0.22
138_K	143_E	0.543	0.22
66_K	214_F	0.543	0.22
133_S	207_L	0.542	0.22
91_D	110_D	0.541	0.22
166_Q	263_F	0.538	0.22
100_D	269_I	0.536	0.22
31_T	36_T	0.536	0.22
141_L	161_Y	0.534	0.22
83_Q	120_K	0.533	0.22
37_M	76_I	0.533	0.22
63_D	67_T	0.533	0.22
47_I	201_A	0.532	0.22
69_F	106_M	0.531	0.22
29_L	36_T	0.530	0.22
86_A	112_S	0.529	0.22
43_D	223_T	0.528	0.22
6_S	19_E	0.527	0.22
108_N	136_T	0.525	0.21
56_E	111_V	0.524	0.21
24_F	67_T	0.524	0.21
45_V	66_K	0.523	0.21
148_R	216_F	0.523	0.21
100_D	138_K	0.523	0.21
147_D	160_L	0.521	0.21
243_S	251_S	0.521	0.21
85_G	121_A	0.519	0.21
99_K	126_V	0.519	0.21
41_H	128_A	0.517	0.21
86_A	95_V	0.516	0.21
229_G	272_D	0.516	0.21
35_L	176_M	0.515	0.21
4_R	233_A	0.512	0.21
214_F	225_H	0.512	0.21
96_L	141_L	0.510	0.21
201_A	217_M	0.510	0.21
78_I	123_F	0.508	0.21
89_V	98_T	0.507	0.21
53_G	83_Q	0.506	0.21
169_I	175_M	0.505	0.20
99_K	206_D	0.505	0.20
43_D	147_D	0.505	0.20
88_R	91_D	0.504	0.20
56_E	84_P	0.504	0.20
35_L	46_V	0.503	0.20
100_D	142_S	0.503	0.20
165_H	212_K	0.502	0.20
133_S	136_T	0.502	0.20
24_F	246_G	0.502	0.20
12_V	41_H	0.501	0.20
70_F	99_K	0.501	0.20
194_V	261_Y	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	0.9164	100	0.296	Contact Map
1xruA	3	1	100	0.298	Contact Map
2qjvA	4	0.8182	100	0.608	Contact Map
2vqaA	3	0.9055	96.8	0.952	Contact Map
3rnsA	1	0.7345	96.6	0.954	Contact Map
1uijA	3	0.8909	96.6	0.954	Contact Map
1sq4A	5	0.9018	96.6	0.954	Contact Map
1rc6A	4	0.8109	96.6	0.954	Contact Map
1sefA	5	0.8327	96.4	0.955	Contact Map
3h7jA	1	0.7927	96	0.956	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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