KDSA - ECOLI - GREMLIN Contacts

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KDSA - 2-dehydro-3-deoxyphosphooctonate aldolase

UniProt:	P0A715	Sequences: MKQKVVSIGDINVANDLPFVLFGGMNVLESRDLAMRICEHYVTVTQKLGIPYVFKASFDKANRSSIHSYRGPGLEEGMKIFQELKQTFGVKIITDVHEPSQAQPVADVVDVIQLPAFLARQTDLVEAMAKTGAVINVKKPQFVSPGQMGNIVDKFKEGGNEKVILCDRGANFGYDNLVVDMLGFSIMKKVSGNSPVIFDVTHALQCRDPFGAASGGRRAQVAELARAGMAVGLAGLFIEAHPDPEHAKCDGPSALPLAKLEPFLKQMKAIDDLVKGFEELDTSK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG10518
Length:	284 (246)
Sequences:	3184 (1524)
Seq/√Len:	97.1

ECOLI - KDSA
BACSU - AROG
SULSO - Q980J0

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
243_D	246_H	5.375	1.00
31_R	83_E	4.979	1.00
114_L	128_M	3.380	1.00
47_K	261_E	3.205	1.00
111_V	164_I	3.018	1.00
197_I	235_G	2.803	1.00
21_L	264_L	2.754	1.00
82_Q	86_Q	2.683	1.00
94_T	109_V	2.514	1.00
137_V	155_F	2.460	1.00
76_E	79_K	2.459	1.00
37_I	242_P	2.375	1.00
215_G	224_L	2.322	1.00
156_K	163_V	2.255	1.00
226_R	266_Q	2.216	1.00
189_K	219_A	2.182	1.00
34_A	80_I	2.082	1.00
100_S	127_A	2.071	1.00
58_F	101_Q	2.046	1.00
218_R	245_E	2.029	1.00
270_I	274_V	1.981	1.00
22_F	93_I	1.926	1.00
35_M	88_F	1.925	1.00
119_A	143_V	1.922	1.00
251_G	254_A	1.913	1.00
30_S	33_L	1.885	1.00
129_A	158_G	1.843	1.00
148_M	187_M	1.828	1.00
218_R	259_K	1.813	1.00
270_I	273_L	1.808	1.00
94_T	105_V	1.802	1.00
105_V	109_V	1.801	1.00
96_V	102_A	1.800	1.00
39_E	87_T	1.789	1.00
82_Q	85_K	1.780	1.00
125_V	155_F	1.778	1.00
271_D	275_K	1.766	1.00
181_M	224_L	1.732	1.00
52_Y	111_V	1.690	1.00
41_Y	50_I	1.668	1.00
40_H	258_A	1.642	1.00
83_E	87_T	1.623	1.00
75_E	104_P	1.608	1.00
35_M	87_T	1.581	1.00
53_V	111_V	1.565	1.00
19_F	229_M	1.561	1.00
96_V	112_I	1.558	1.00
156_K	194_S	1.551	1.00
19_F	271_D	1.548	1.00
222_A	266_Q	1.519	1.00
256_P	259_K	1.518	1.00
48_L	261_E	1.497	1.00
85_K	92_I	1.492	1.00
36_R	39_E	1.492	1.00
41_Y	260_L	1.491	1.00
99_P	102_A	1.481	1.00
39_E	88_F	1.468	1.00
102_A	131_T	1.436	1.00
23_G	240_A	1.420	1.00
155_F	160_N	1.414	1.00
186_I	220_Q	1.400	0.99
163_V	194_S	1.398	0.99
184_F	198_F	1.392	0.99
31_R	35_M	1.359	0.99
132_G	162_K	1.351	0.99
101_Q	123_D	1.351	0.99
41_Y	52_Y	1.347	0.99
85_K	88_F	1.338	0.99
261_E	265_K	1.337	0.99
33_L	242_P	1.336	0.99
35_M	84_L	1.333	0.99
198_F	224_L	1.326	0.99
179_V	198_F	1.318	0.99
152_V	165_L	1.313	0.99
79_K	108_V	1.301	0.99
187_M	196_V	1.299	0.99
13_V	20_V	1.298	0.99
80_I	84_L	1.279	0.99
126_E	158_G	1.272	0.99
104_P	108_V	1.258	0.99
225_A	267_M	1.247	0.99
32_D	36_R	1.247	0.99
130_K	158_G	1.246	0.99
97_H	123_D	1.241	0.99
145_P	183_G	1.225	0.99
269_A	273_L	1.219	0.99
218_R	256_P	1.218	0.99
36_R	242_P	1.213	0.98
146_G	175_D	1.199	0.98
35_M	39_E	1.199	0.98
85_K	108_V	1.176	0.98
34_A	84_L	1.170	0.98
28_L	81_F	1.161	0.98
33_L	37_I	1.156	0.98
203_A	215_G	1.154	0.98
79_K	82_Q	1.137	0.98
82_Q	108_V	1.136	0.98
42_V	88_F	1.129	0.98
98_E	123_D	1.120	0.97
104_P	107_D	1.119	0.97
30_S	248_K	1.114	0.97
188_K	234_A	1.108	0.97
35_M	83_E	1.104	0.97
144_S	147_Q	1.094	0.97
238_I	260_L	1.085	0.97
238_I	263_F	1.083	0.97
240_A	260_L	1.074	0.97
51_P	91_K	1.071	0.97
83_E	86_Q	1.067	0.97
92_I	109_V	1.064	0.97
167_D	170_A	1.063	0.96
52_Y	90_V	1.054	0.96
262_P	266_Q	1.053	0.96
56_A	59_D	1.048	0.96
170_A	183_G	1.048	0.96
72_P	77_G	1.040	0.96
22_F	197_I	1.037	0.96
42_V	90_V	1.034	0.96
128_M	135_I	1.031	0.96
135_I	155_F	1.004	0.95
103_Q	107_D	1.002	0.95
38_C	90_V	1.002	0.95
255_L	263_F	0.999	0.95
152_V	194_S	0.998	0.95
198_F	228_G	0.998	0.95
217_R	220_Q	0.993	0.95
152_V	156_K	0.986	0.95
26_N	249_C	0.985	0.95
11_I	20_V	0.981	0.95
13_V	111_V	0.977	0.94
75_E	79_K	0.974	0.94
54_F	59_D	0.973	0.94
153_D	156_K	0.972	0.94
184_F	233_L	0.967	0.94
55_K	59_D	0.966	0.94
268_K	272_D	0.964	0.94
184_F	231_V	0.959	0.94
260_L	264_L	0.955	0.94
156_K	161_E	0.955	0.94
143_V	151_I	0.948	0.93
37_I	54_F	0.946	0.93
28_L	34_A	0.940	0.93
153_D	157_E	0.935	0.93
126_E	130_K	0.935	0.93
127_A	130_K	0.934	0.93
148_M	151_I	0.932	0.93
37_I	56_A	0.929	0.93
81_F	92_I	0.923	0.93
59_D	70_R	0.921	0.92
93_I	136_N	0.921	0.92
269_A	272_D	0.920	0.92
22_F	52_Y	0.920	0.92
37_I	40_H	0.918	0.92
262_P	265_K	0.916	0.92
226_R	267_M	0.913	0.92
67_H	153_D	0.912	0.92
129_A	155_F	0.910	0.92
99_P	123_D	0.910	0.92
37_I	257_L	0.902	0.92
182_L	203_A	0.896	0.91
229_M	236_L	0.896	0.91
85_K	91_K	0.896	0.91
77_G	81_F	0.895	0.91
203_A	224_L	0.887	0.91
128_M	131_T	0.883	0.91
31_R	80_I	0.870	0.90
40_H	257_L	0.869	0.90
42_V	89_G	0.868	0.90
229_M	267_M	0.866	0.90
15_N	234_A	0.866	0.90
134_V	162_K	0.863	0.90
224_L	231_V	0.863	0.90
230_A	270_I	0.863	0.90
28_L	80_I	0.848	0.89
16_D	234_A	0.844	0.89
70_R	126_E	0.844	0.89
106_A	112_I	0.843	0.89
97_H	101_Q	0.839	0.88
11_I	51_P	0.833	0.88
111_V	134_V	0.830	0.88
266_Q	269_A	0.829	0.88
174_Y	186_I	0.828	0.88
32_D	39_E	0.819	0.87
221_V	255_L	0.810	0.87
54_F	58_F	0.808	0.87
119_A	140_P	0.807	0.86
84_L	88_F	0.804	0.86
72_P	80_I	0.798	0.86
93_I	111_V	0.797	0.86
38_C	88_F	0.797	0.86
96_V	114_L	0.796	0.86
54_F	57_S	0.795	0.86
13_V	52_Y	0.793	0.85
55_K	58_F	0.793	0.85
38_C	81_F	0.782	0.85
21_L	50_I	0.776	0.84
27_V	69_Y	0.775	0.84
247_A	251_G	0.775	0.84
179_V	184_F	0.774	0.84
98_E	101_Q	0.771	0.84
50_I	264_L	0.770	0.84
102_A	128_M	0.767	0.84
240_A	254_A	0.766	0.83
225_A	263_F	0.766	0.83
234_A	275_K	0.763	0.83
126_E	157_E	0.762	0.83
259_K	262_P	0.760	0.83
248_K	254_A	0.759	0.83
106_A	131_T	0.758	0.83
67_H	157_E	0.752	0.82
142_F	177_L	0.743	0.82
52_Y	93_I	0.742	0.81
52_Y	91_K	0.738	0.81
100_S	103_Q	0.735	0.81
96_V	128_M	0.734	0.81
66_I	158_G	0.729	0.80
20_V	51_P	0.729	0.80
137_V	151_I	0.728	0.80
155_F	163_V	0.725	0.80
129_A	157_E	0.723	0.80
106_A	132_G	0.723	0.80
85_K	110_D	0.722	0.80
20_V	235_G	0.718	0.79
134_V	166_C	0.717	0.79
22_F	53_V	0.716	0.79
242_P	257_L	0.716	0.79
152_V	163_V	0.716	0.79
42_V	87_T	0.713	0.79
13_V	53_V	0.709	0.78
226_R	270_I	0.709	0.78
81_F	84_L	0.708	0.78
225_A	236_L	0.705	0.78
145_P	186_I	0.702	0.78
75_E	107_D	0.697	0.77
96_V	105_V	0.696	0.77
116_A	141_Q	0.690	0.77
200_V	225_A	0.689	0.76
102_A	106_A	0.688	0.76
76_E	80_I	0.688	0.76
13_V	22_F	0.683	0.76
69_Y	72_P	0.682	0.76
103_Q	127_A	0.676	0.75
123_D	127_A	0.675	0.75
226_R	231_V	0.673	0.75
123_D	126_E	0.671	0.75
75_E	108_V	0.669	0.74
9_G	91_K	0.669	0.74
249_C	254_A	0.668	0.74
52_Y	56_A	0.665	0.74
153_D	194_S	0.665	0.74
146_G	150_N	0.664	0.74
110_D	133_A	0.664	0.74
80_I	83_E	0.662	0.74
136_N	237_F	0.661	0.73
36_R	40_H	0.659	0.73
13_V	235_G	0.657	0.73
40_H	261_E	0.657	0.73
28_L	56_A	0.656	0.73
116_A	249_C	0.653	0.73
125_V	129_A	0.650	0.72
103_Q	130_K	0.650	0.72
118_L	124_L	0.648	0.72
263_F	267_M	0.648	0.72
99_P	127_A	0.645	0.72
66_I	157_E	0.645	0.72
27_V	56_A	0.640	0.71
236_L	267_M	0.639	0.71
19_F	275_K	0.637	0.71
141_Q	177_L	0.635	0.70
18_P	51_P	0.634	0.70
34_A	54_F	0.633	0.70
227_A	231_V	0.630	0.70
72_P	76_E	0.626	0.69
106_A	109_V	0.625	0.69
78_M	105_V	0.623	0.69
101_Q	104_P	0.621	0.69
66_I	126_E	0.618	0.68
12_N	18_P	0.618	0.68
22_F	235_G	0.614	0.68
70_R	123_D	0.613	0.68
182_L	185_S	0.613	0.68
31_R	84_L	0.611	0.68
136_N	164_I	0.610	0.67
147_Q	176_N	0.606	0.67
174_Y	190_V	0.606	0.67
112_I	128_M	0.605	0.67
48_L	257_L	0.605	0.67
218_R	221_V	0.605	0.67
40_H	48_L	0.603	0.67
174_Y	177_L	0.601	0.66
69_Y	248_K	0.595	0.65
53_V	84_L	0.594	0.65
147_Q	175_D	0.594	0.65
128_M	158_G	0.592	0.65
102_A	127_A	0.590	0.65
112_I	131_T	0.590	0.65
27_V	249_C	0.589	0.65
73_G	123_D	0.589	0.65
135_I	166_C	0.587	0.64
215_G	220_Q	0.587	0.64
36_R	243_D	0.587	0.64
221_V	263_F	0.586	0.64
148_M	165_L	0.585	0.64
35_M	85_K	0.577	0.63
9_G	85_K	0.574	0.63
85_K	89_G	0.572	0.62
56_A	77_G	0.571	0.62
116_A	237_F	0.569	0.62
109_V	112_I	0.569	0.62
19_F	51_P	0.566	0.62
125_V	128_M	0.566	0.62
170_A	178_V	0.563	0.61
234_A	271_D	0.563	0.61
179_V	224_L	0.561	0.61
34_A	53_V	0.561	0.61
59_D	77_G	0.561	0.61
200_V	228_G	0.561	0.61
86_Q	108_V	0.560	0.61
15_N	18_P	0.560	0.61
22_F	136_N	0.558	0.61
255_L	259_K	0.557	0.60
30_S	34_A	0.554	0.60
66_I	153_D	0.553	0.60
133_A	162_K	0.553	0.60
186_I	217_R	0.551	0.60
141_Q	172_F	0.551	0.60
107_D	133_A	0.551	0.60
164_I	197_I	0.550	0.59
149_G	153_D	0.549	0.59
167_D	183_G	0.549	0.59
27_V	68_S	0.547	0.59
31_R	79_K	0.546	0.59
136_N	166_C	0.537	0.58
185_S	223_E	0.537	0.58
22_F	111_V	0.536	0.58
221_V	238_I	0.535	0.57
33_L	36_R	0.535	0.57
149_G	189_K	0.532	0.57
268_K	271_D	0.532	0.57
27_V	72_P	0.531	0.57
15_N	20_V	0.529	0.57
28_L	77_G	0.529	0.57
28_L	249_C	0.526	0.56
33_L	248_K	0.525	0.56
51_P	260_L	0.524	0.56
41_Y	90_V	0.522	0.56
159_G	163_V	0.522	0.56
185_S	188_K	0.520	0.55
63_R	202_H	0.520	0.55
181_M	198_F	0.519	0.55
19_F	50_I	0.519	0.55
20_V	197_I	0.515	0.55
131_T	158_G	0.513	0.54
58_F	105_V	0.512	0.54
67_H	193_N	0.512	0.54
28_L	84_L	0.511	0.54
10_D	13_V	0.511	0.54
145_P	174_Y	0.511	0.54
229_M	270_I	0.510	0.54
176_N	179_V	0.509	0.54
114_L	124_L	0.509	0.54
222_A	238_I	0.504	0.53
84_L	90_V	0.502	0.53
186_I	190_V	0.502	0.53
220_Q	223_E	0.501	0.53
229_M	233_L	0.501	0.53
92_I	134_V	0.501	0.53
21_L	260_L	0.500	0.52
53_V	134_V	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
4lu0A	4	0.9049	100	0.319	Contact Map
3tmlA	4	0.912	100	0.323	Contact Map
2qkfA	4	0.9155	100	0.325	Contact Map
3sz8A	4	0.9331	100	0.328	Contact Map
1o60A	4	0.9437	100	0.33	Contact Map
3fs2A	4	0.9085	100	0.332	Contact Map
1vr6A	4	0.912	100	0.357	Contact Map
2nwrA	4	0.8979	100	0.36	Contact Map
3nvtA	4	0.8944	100	0.384	Contact Map
4c1lA	4	0.8908	100	0.405	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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