PANB - BACSU - GREMLIN Contacts

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PANB - 3-methyl-2-oxobutanoate hydroxymethyltransferase

UniProt:	P52996	Sequences: MKTKLDFLKMKESEEPIVMLTAYDYPAAKLAEQAGVDMILVGDSLGMVVLGLDSTVGVTVADMIHHTKAVKRGAPNTFIVTDMPFMSYHLSKEDTLKNAAAIVQESGADALKLEGGEGVFESIRALTLGGIPVVSHLGLTPQSVGVLGGYKVQGKDEQSAKKLIEDSIKCEEAGAMMLVLECVPAELTAKIAETLSIPVIGIGAGVKADGQVLVYHDIIGHGVERTPKFVKQYTRIDETIETAISGYVQDVRHRAFPEQKHSFQMNQTVLDGLYGGK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	277 (261)
Sequences:	3115 (1877)
Seq/√Len:	116.2

ECOLI - PANB
BACSU - PANB
HALSA - PANB
SULSO - PANB

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
16_P	254_R	3.463	1.00
86_M	100_A	3.067	1.00
189_A	193_E	2.871	1.00
235_R	238_E	2.864	1.00
123_I	170_C	2.843	1.00
67_T	81_T	2.744	1.00
233_Y	250_D	2.640	1.00
189_A	207_K	2.592	1.00
19_M	212_V	2.588	1.00
60_V	98_N	2.581	1.00
171_E	196_S	2.358	1.00
168_I	194_T	2.295	1.00
46_G	58_V	2.225	1.00
11_K	209_D	2.165	1.00
101_A	105_E	2.159	1.00
60_V	87_S	2.156	1.00
171_E	195_L	2.155	1.00
50_L	65_H	2.130	1.00
94_D	97_K	2.123	1.00
231_K	250_D	2.104	1.00
134_V	177_M	2.083	1.00
15_E	252_R	2.071	1.00
18_V	248_V	2.021	1.00
239_T	242_T	2.021	1.00
231_K	261_H	2.015	1.00
36_V	248_V	1.956	1.00
192_A	199_V	1.955	1.00
10_M	17_I	1.946	1.00
90_L	97_K	1.934	1.00
248_V	252_R	1.880	1.00
9_K	13_S	1.879	1.00
161_K	165_E	1.875	1.00
124_R	128_L	1.830	1.00
117_E	165_E	1.818	1.00
190_K	194_T	1.805	1.00
62_D	68_K	1.753	1.00
71_K	79_I	1.739	1.00
234_T	239_T	1.731	1.00
60_V	102_I	1.719	1.00
249_Q	253_H	1.706	1.00
185_A	262_S	1.703	1.00
134_V	176_M	1.688	1.00
162_K	166_D	1.671	1.00
242_T	246_G	1.667	1.00
31_A	39_I	1.655	1.00
83_M	98_N	1.648	1.00
32_E	77_T	1.619	1.00
31_A	244_I	1.615	1.00
67_T	108_A	1.610	1.00
156_D	159_S	1.597	1.00
81_T	102_I	1.590	1.00
135_S	170_C	1.577	1.00
258_E	261_H	1.550	1.00
168_I	171_E	1.541	1.00
54_S	57_G	1.529	1.00
67_T	106_S	1.527	1.00
175_A	197_I	1.513	1.00
50_L	69_A	1.511	1.00
39_I	74_A	1.509	1.00
102_I	106_S	1.490	1.00
7_F	38_M	1.484	1.00
38_M	212_V	1.478	1.00
226_T	232_Q	1.474	1.00
153_Q	159_S	1.468	1.00
164_I	190_K	1.462	1.00
250_D	255_A	1.445	1.00
27_A	215_Y	1.442	1.00
206_V	262_S	1.434	1.00
232_Q	235_R	1.431	1.00
135_S	175_A	1.424	1.00
95_T	122_S	1.423	1.00
10_M	15_E	1.401	1.00
238_E	242_T	1.397	1.00
33_Q	241_E	1.396	1.00
83_M	99_A	1.340	1.00
110_A	176_M	1.337	1.00
171_E	197_I	1.331	1.00
38_M	134_V	1.330	1.00
61_A	101_A	1.329	1.00
178_L	195_L	1.327	1.00
81_T	106_S	1.308	1.00
19_M	38_M	1.299	1.00
137_L	163_L	1.291	1.00
125_A	129_G	1.290	1.00
170_C	175_A	1.286	1.00
90_L	94_D	1.280	0.99
168_I	195_L	1.271	0.99
92_K	122_S	1.270	0.99
135_S	179_V	1.263	0.99
137_L	180_L	1.257	0.99
219_I	240_I	1.255	0.99
140_T	147_L	1.244	0.99
64_I	102_I	1.235	0.99
109_D	145_G	1.232	0.99
20_L	218_I	1.224	0.99
178_L	199_V	1.219	0.99
117_E	166_D	1.214	0.99
124_R	172_E	1.212	0.99
157_E	161_K	1.206	0.99
80_V	179_V	1.199	0.99
8_L	12_E	1.191	0.99
31_A	215_Y	1.177	0.99
32_E	76_N	1.169	0.99
17_I	210_G	1.155	0.99
68_K	72_R	1.148	0.99
46_G	52_L	1.143	0.99
90_L	93_E	1.131	0.99
121_E	124_R	1.124	0.99
178_L	197_I	1.122	0.99
81_T	108_A	1.117	0.99
74_A	79_I	1.115	0.99
18_V	252_R	1.110	0.99
52_L	57_G	1.108	0.98
199_V	208_A	1.108	0.98
185_A	207_K	1.104	0.98
52_L	72_R	1.101	0.98
88_Y	113_L	1.100	0.98
80_V	134_V	1.099	0.98
96_L	125_A	1.099	0.98
118_G	162_K	1.098	0.98
215_Y	219_I	1.094	0.98
180_L	183_V	1.087	0.98
127_T	175_A	1.081	0.98
32_E	75_P	1.068	0.98
192_A	208_A	1.064	0.98
219_I	236_I	1.064	0.98
245_S	249_Q	1.060	0.98
154_G	191_I	1.050	0.98
241_E	245_S	1.050	0.98
92_K	125_A	1.050	0.98
94_D	98_N	1.045	0.98
6_D	9_K	1.033	0.98
80_V	110_A	1.026	0.98
258_E	262_S	1.016	0.97
38_M	80_V	1.016	0.97
5_L	151_K	1.015	0.97
45_L	66_H	1.008	0.97
91_S	94_D	1.002	0.97
29_K	224_E	1.001	0.97
182_C	263_F	0.999	0.97
18_V	36_V	0.993	0.97
52_L	62_D	0.992	0.97
120_F	166_D	0.988	0.97
185_A	206_V	0.987	0.97
139_L	182_C	0.985	0.97
188_T	208_A	0.983	0.97
96_L	126_L	0.974	0.97
160_A	187_L	0.974	0.97
118_G	128_L	0.968	0.96
165_E	169_K	0.963	0.96
49_V	216_H	0.962	0.96
222_G	225_R	0.959	0.96
83_M	87_S	0.948	0.96
46_G	62_D	0.947	0.96
62_D	65_H	0.939	0.96
26_P	49_V	0.937	0.96
30_L	244_I	0.933	0.96
120_F	169_K	0.926	0.95
61_A	64_I	0.923	0.95
246_G	249_Q	0.921	0.95
166_D	169_K	0.916	0.95
93_E	97_K	0.914	0.95
17_I	37_D	0.912	0.95
246_G	250_D	0.909	0.95
26_P	221_H	0.907	0.95
71_K	74_A	0.906	0.95
119_V	122_S	0.903	0.95
192_A	209_D	0.901	0.95
190_K	193_E	0.900	0.95
147_L	182_C	0.895	0.95
57_G	104_Q	0.894	0.94
206_V	254_R	0.891	0.94
180_L	191_I	0.891	0.94
88_Y	95_T	0.883	0.94
60_V	63_M	0.882	0.94
20_L	31_A	0.878	0.94
159_S	162_K	0.873	0.94
96_L	129_G	0.873	0.94
144_V	149_G	0.871	0.94
39_I	79_I	0.868	0.94
78_F	110_A	0.867	0.94
242_T	245_S	0.864	0.93
20_L	36_V	0.859	0.93
64_I	106_S	0.859	0.93
233_Y	243_A	0.857	0.93
127_T	176_M	0.856	0.93
164_I	168_I	0.855	0.93
179_V	197_I	0.854	0.93
103_V	132_P	0.849	0.93
45_L	58_V	0.848	0.93
71_K	107_G	0.845	0.93
37_D	252_R	0.844	0.93
236_I	240_I	0.840	0.92
79_I	109_D	0.840	0.92
65_H	69_A	0.840	0.92
237_D	241_E	0.840	0.92
89_H	104_Q	0.838	0.92
161_K	190_K	0.837	0.92
50_L	62_D	0.832	0.92
154_G	163_L	0.826	0.92
117_E	162_K	0.823	0.92
26_P	216_H	0.823	0.92
117_E	169_K	0.822	0.92
213_L	229_F	0.822	0.92
184_P	204_A	0.822	0.92
164_I	194_T	0.820	0.92
29_K	33_Q	0.816	0.91
116_G	120_F	0.805	0.91
87_S	104_Q	0.803	0.91
170_C	178_L	0.802	0.91
110_A	134_V	0.796	0.90
27_A	216_H	0.793	0.90
68_K	71_K	0.790	0.90
92_K	121_E	0.787	0.90
45_L	50_L	0.786	0.90
37_D	210_G	0.779	0.89
96_L	100_A	0.779	0.89
234_T	243_A	0.779	0.89
10_M	252_R	0.776	0.89
18_V	37_D	0.775	0.89
59_T	62_D	0.773	0.89
20_L	244_I	0.773	0.89
152_V	228_K	0.768	0.89
32_E	74_A	0.765	0.88
236_I	239_T	0.763	0.88
17_I	38_M	0.763	0.88
182_C	228_K	0.760	0.88
235_R	239_T	0.759	0.88
250_D	253_H	0.759	0.88
7_F	176_M	0.758	0.88
152_V	263_F	0.756	0.88
30_L	237_D	0.753	0.88
71_K	109_D	0.739	0.87
64_I	101_A	0.726	0.86
229_F	261_H	0.724	0.86
122_S	125_A	0.724	0.86
233_Y	255_A	0.724	0.86
34_A	241_E	0.723	0.86
89_H	95_T	0.720	0.85
64_I	105_E	0.719	0.85
184_P	187_L	0.718	0.85
25_Y	29_K	0.716	0.85
57_G	107_G	0.710	0.84
175_A	178_L	0.708	0.84
169_K	172_E	0.705	0.84
60_V	64_I	0.704	0.84
135_S	178_L	0.701	0.84
147_L	153_Q	0.699	0.84
93_E	125_A	0.699	0.84
215_Y	244_I	0.699	0.84
63_M	81_T	0.698	0.83
27_A	240_I	0.697	0.83
160_A	190_K	0.682	0.82
193_E	207_K	0.681	0.82
20_L	215_Y	0.681	0.82
29_K	237_D	0.680	0.82
45_L	65_H	0.679	0.82
149_G	153_Q	0.678	0.82
71_K	106_S	0.677	0.82
137_L	178_L	0.675	0.81
91_S	122_S	0.674	0.81
8_L	196_S	0.672	0.81
86_M	96_L	0.670	0.81
117_E	120_F	0.670	0.81
88_Y	98_N	0.669	0.81
223_V	237_D	0.669	0.81
227_P	230_V	0.667	0.81
139_L	150_Y	0.665	0.80
168_I	172_E	0.664	0.80
165_E	168_I	0.664	0.80
111_L	133_V	0.663	0.80
216_H	221_H	0.658	0.80
53_D	57_G	0.658	0.80
231_K	255_A	0.653	0.79
46_G	59_T	0.652	0.79
38_M	78_F	0.649	0.79
64_I	67_T	0.647	0.79
24_D	27_A	0.645	0.78
100_A	104_Q	0.644	0.78
92_K	95_T	0.643	0.78
7_F	10_M	0.642	0.78
10_M	37_D	0.640	0.78
122_S	126_L	0.638	0.78
182_C	222_G	0.636	0.77
220_G	226_T	0.635	0.77
256_F	263_F	0.635	0.77
169_K	173_A	0.632	0.77
180_L	199_V	0.632	0.77
115_G	166_D	0.627	0.76
19_M	28_A	0.626	0.76
152_V	182_C	0.624	0.76
191_I	194_T	0.624	0.76
68_K	106_S	0.624	0.76
83_M	88_Y	0.621	0.76
185_A	259_Q	0.621	0.76
113_L	126_L	0.621	0.76
56_V	104_Q	0.620	0.76
220_G	232_Q	0.618	0.75
27_A	219_I	0.618	0.75
200_I	210_G	0.617	0.75
150_Y	227_P	0.616	0.75
259_Q	262_S	0.616	0.75
163_L	187_L	0.615	0.75
47_M	227_P	0.613	0.75
71_K	75_P	0.613	0.75
23_Y	49_V	0.613	0.75
83_M	102_I	0.608	0.74
6_D	10_M	0.604	0.74
127_T	146_V	0.604	0.74
240_I	244_I	0.602	0.73
34_A	245_S	0.602	0.73
146_V	176_M	0.602	0.73
231_K	258_E	0.601	0.73
100_A	131_I	0.601	0.73
4_K	176_M	0.601	0.73
160_A	184_P	0.597	0.73
80_V	177_M	0.597	0.73
9_K	12_E	0.591	0.72
92_K	96_L	0.590	0.72
233_Y	236_I	0.587	0.72
150_Y	182_C	0.586	0.71
179_V	195_L	0.586	0.71
28_A	39_I	0.585	0.71
195_L	199_V	0.585	0.71
230_V	263_F	0.582	0.71
56_V	143_S	0.582	0.71
168_I	196_S	0.579	0.71
4_K	8_L	0.579	0.71
140_T	143_S	0.578	0.70
218_I	230_V	0.578	0.70
137_L	154_G	0.575	0.70
64_I	68_K	0.574	0.70
85_F	130_G	0.573	0.70
49_V	69_A	0.572	0.70
99_A	131_I	0.572	0.70
58_V	62_D	0.572	0.70
28_A	74_A	0.572	0.70
202_I	212_V	0.572	0.70
127_T	173_A	0.567	0.69
120_F	173_A	0.565	0.69
121_E	128_L	0.561	0.68
180_L	188_T	0.560	0.68
222_G	226_T	0.558	0.68
38_M	177_M	0.556	0.67
183_V	199_V	0.556	0.67
123_I	175_A	0.556	0.67
70_V	79_I	0.554	0.67
17_I	200_I	0.554	0.67
103_V	126_L	0.553	0.67
130_G	146_V	0.553	0.67
123_I	135_S	0.552	0.67
25_Y	73_G	0.551	0.67
98_N	102_I	0.551	0.67
56_V	144_V	0.549	0.67
126_L	129_G	0.546	0.66
113_L	119_V	0.545	0.66
10_M	13_S	0.544	0.66
153_Q	184_P	0.542	0.66
22_A	31_A	0.540	0.65
144_V	150_Y	0.539	0.65
116_G	122_S	0.535	0.65
183_V	187_L	0.534	0.64
19_M	80_V	0.533	0.64
215_Y	221_H	0.532	0.64
192_A	207_K	0.532	0.64
199_V	209_D	0.530	0.64
24_D	216_H	0.529	0.64
6_D	47_M	0.527	0.63
54_S	107_G	0.525	0.63
233_Y	239_T	0.522	0.63
96_L	122_S	0.522	0.63
22_A	39_I	0.521	0.63
22_A	28_A	0.521	0.63
152_V	184_P	0.520	0.62
60_V	101_A	0.520	0.62
250_D	261_H	0.518	0.62
33_Q	245_S	0.518	0.62
153_Q	263_F	0.517	0.62
163_L	191_I	0.516	0.62
52_L	56_V	0.513	0.61
22_A	41_V	0.512	0.61
186_E	190_K	0.509	0.61
97_K	100_A	0.509	0.61
4_K	146_V	0.506	0.60
117_E	128_L	0.506	0.60
140_T	184_P	0.506	0.60
39_I	244_I	0.505	0.60
229_F	263_F	0.504	0.60
116_G	179_V	0.503	0.60
23_Y	216_H	0.502	0.60
17_I	198_P	0.502	0.60
78_F	176_M	0.500	0.59

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
1o66A	3	0.8989	100	0.246	Contact Map
1oy0A	4	0.8881	100	0.248	Contact Map
1m3uA	4	0.9458	100	0.25	Contact Map
3vavA	4	0.9422	100	0.268	Contact Map
4lsbA	2	0.8989	100	0.534	Contact Map
4mg4A	4	0.8412	100	0.609	Contact Map
2qiwA	2	0.8375	100	0.626	Contact Map
3lyeA	4	0.8881	100	0.627	Contact Map
3eooA	4	0.9134	100	0.631	Contact Map
1xg4A	4	0.8989	100	0.634	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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