BIOW - BACSU - GREMLIN Contacts

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BIOW - 6-carboxyhexanoate--CoA ligase

UniProt:	P53559	Sequences: MMQEETFYSVRMRASMNGSHEDGGKHISGGERLIPFHEMKHTVNALLEKGLSHSRGKPDFMQIQFEEVHESIKTIQPLPVHTNEVSCPEEGQKLARLLLEKEGVSRDVIEKAYEQIPEWSDVRGAVLFDIHTGKRMDQTKEKGVRVSRMDWPDANFEKWALHSHVPAHSRIKEALALASKVSRHPAVVAELCWSDDPDYITGYVAGKKMGYQRITAMKEYGTEEGCRVFFIDGSNDVNTYIHDLEKQPILIEWEEDHDS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	259 (234)
Sequences:	143 (122)
Seq/√Len:	8.0

BACSU - BIOW

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
75_I	179_S	4.988	0.99
11_R	148_R	4.379	0.99
32_R	150_D	4.330	0.98
11_R	64_Q	3.694	0.96
85_V	91_G	3.500	0.94
30_G	49_K	3.211	0.91
95_A	204_V	3.167	0.90
181_V	229_F	3.121	0.89
91_G	200_I	2.627	0.79
200_I	216_A	2.396	0.72
50_G	61_M	2.377	0.71
206_G	210_G	2.301	0.69
187_V	240_Y	2.274	0.68
146_V	229_F	2.253	0.67
200_I	215_T	2.121	0.62
91_G	216_A	2.114	0.62
11_R	15_S	2.100	0.61
33_L	74_T	2.046	0.59
95_A	193_W	2.006	0.58
133_G	231_I	1.996	0.57
64_Q	148_R	1.980	0.57
49_K	122_V	1.976	0.56
133_G	230_F	1.939	0.55
36_F	57_K	1.924	0.54
231_I	240_Y	1.910	0.54
170_R	184_H	1.902	0.53
104_V	134_K	1.889	0.53
79_P	210_G	1.844	0.51
177_L	196_D	1.839	0.51
173_E	177_L	1.810	0.50
147_S	173_E	1.794	0.49
128_F	228_V	1.783	0.49
137_D	140_K	1.738	0.47
11_R	147_S	1.712	0.46
53_H	56_G	1.710	0.46
104_V	189_A	1.702	0.45
27_I	72_I	1.691	0.45
104_V	112_A	1.666	0.44
54_S	198_D	1.650	0.43
138_Q	142_K	1.629	0.42
149_M	229_F	1.625	0.42
56_G	229_F	1.605	0.41
90_E	251_I	1.594	0.41
60_F	95_A	1.562	0.40
144_V	166_P	1.555	0.39
95_A	230_F	1.513	0.38
109_I	113_Y	1.491	0.37
43_V	201_T	1.470	0.36
173_E	229_F	1.470	0.36
49_K	170_R	1.470	0.36
50_G	181_V	1.452	0.35
58_P	247_Q	1.442	0.35
95_A	217_M	1.430	0.35
199_Y	211_Y	1.422	0.34
149_M	176_A	1.418	0.34
7_F	58_P	1.415	0.34
122_V	226_C	1.413	0.34
33_L	148_R	1.405	0.34
66_E	217_M	1.404	0.34
193_W	230_F	1.402	0.34
34_I	204_V	1.396	0.33
30_G	170_R	1.384	0.33
46_L	150_D	1.363	0.32
11_R	33_L	1.348	0.32
95_A	191_L	1.347	0.32
7_F	17_N	1.346	0.32
56_G	146_V	1.316	0.31
149_M	181_V	1.309	0.30
112_A	137_D	1.303	0.30
43_V	47_L	1.300	0.30
142_K	245_E	1.287	0.30
208_K	236_D	1.287	0.30
82_T	215_T	1.286	0.30
25_K	251_I	1.284	0.29
112_A	231_I	1.276	0.29
50_G	147_S	1.258	0.29
68_V	188_V	1.258	0.29
53_H	229_F	1.257	0.29
34_I	249_I	1.251	0.28
26_H	29_G	1.237	0.28
26_H	31_E	1.237	0.28
28_S	31_E	1.237	0.28
242_H	246_K	1.226	0.28
63_I	220_Y	1.226	0.28
232_D	237_V	1.213	0.27
10_V	66_E	1.207	0.27
189_A	251_I	1.205	0.27
82_T	217_M	1.195	0.27
91_G	138_Q	1.190	0.26
116_I	177_L	1.165	0.26
113_Y	144_V	1.149	0.25
24_G	32_R	1.147	0.25
32_R	46_L	1.138	0.25
63_I	131_H	1.113	0.24
149_M	173_E	1.111	0.24
65_F	188_V	1.110	0.24
11_R	193_W	1.089	0.23
126_V	176_A	1.088	0.23
43_V	116_I	1.085	0.23
70_E	242_H	1.073	0.23
87_C	122_V	1.054	0.22
65_F	234_S	1.045	0.22
10_V	65_F	1.043	0.22
146_V	244_L	1.043	0.22
50_G	229_F	1.041	0.22
38_E	116_I	1.039	0.22
173_E	176_A	1.037	0.22
10_V	184_H	1.031	0.22
63_I	84_E	1.031	0.22
147_S	181_V	1.026	0.21
58_P	109_I	1.022	0.21
51_L	146_V	1.019	0.21
43_V	103_G	1.015	0.21
77_P	168_H	1.014	0.21
112_A	126_V	1.012	0.21
119_W	137_D	1.009	0.21
186_A	228_V	1.005	0.21
50_G	146_V	1.004	0.21
175_L	189_A	1.000	0.21
127_L	240_Y	0.994	0.21
75_I	221_G	0.992	0.21
127_L	241_I	0.988	0.20
65_F	221_G	0.984	0.20
130_I	171_I	0.977	0.20
40_K	48_E	0.973	0.20
33_L	52_S	0.964	0.20
86_S	90_E	0.960	0.20
36_F	128_F	0.959	0.20
15_S	146_V	0.948	0.19
15_S	183_R	0.945	0.19
204_V	217_M	0.941	0.19
236_D	239_T	0.940	0.19
59_D	150_D	0.936	0.19
108_V	137_D	0.935	0.19
127_L	246_K	0.934	0.19
101_K	179_S	0.928	0.19
55_R	197_P	0.926	0.19
173_E	181_V	0.921	0.19
57_K	219_E	0.910	0.18
96_R	110_E	0.901	0.18
57_K	68_V	0.898	0.18
50_G	189_A	0.896	0.18
129_D	183_R	0.892	0.18
11_R	127_L	0.889	0.18
171_I	231_I	0.879	0.18
65_F	226_C	0.879	0.18
46_L	166_P	0.875	0.18
112_A	230_F	0.872	0.18
55_R	77_P	0.872	0.18
146_V	191_L	0.864	0.17
63_I	100_E	0.860	0.17
108_V	138_Q	0.859	0.17
122_V	180_K	0.855	0.17
77_P	210_G	0.849	0.17
129_D	198_D	0.849	0.17
30_G	43_V	0.847	0.17
149_M	177_L	0.847	0.17
80_V	221_G	0.846	0.17
222_T	229_F	0.845	0.17
192_C	199_Y	0.845	0.17
39_M	217_M	0.843	0.17
99_L	180_K	0.837	0.17
180_K	229_F	0.836	0.17
41_H	68_V	0.820	0.16
180_K	197_P	0.818	0.16
104_V	230_F	0.816	0.16
168_H	193_W	0.815	0.16
108_V	130_I	0.810	0.16
173_E	197_P	0.809	0.16
83_N	98_L	0.807	0.16
51_L	205_A	0.805	0.16
127_L	249_I	0.804	0.16
24_G	147_S	0.801	0.16
157_E	179_S	0.800	0.16
176_A	243_D	0.794	0.16
49_K	182_S	0.793	0.16
205_A	210_G	0.790	0.16
41_H	187_V	0.786	0.16
197_P	221_G	0.783	0.16
182_S	185_P	0.781	0.15
201_T	214_I	0.779	0.15
204_V	250_L	0.778	0.15
60_F	64_Q	0.768	0.15
39_M	103_G	0.768	0.15
30_G	122_V	0.766	0.15
174_A	192_C	0.766	0.15
74_T	214_I	0.763	0.15
223_E	238_N	0.757	0.15
217_M	222_T	0.757	0.15
232_D	235_N	0.756	0.15
155_N	188_V	0.755	0.15
99_L	204_V	0.750	0.15
148_R	246_K	0.750	0.15
10_V	220_Y	0.748	0.15
63_I	200_I	0.748	0.15
24_G	230_F	0.748	0.15
55_R	193_W	0.748	0.15
76_Q	179_S	0.746	0.15
146_V	178_A	0.743	0.15
190_E	211_Y	0.743	0.15
119_W	128_F	0.743	0.15
126_V	232_D	0.737	0.15
49_K	61_M	0.735	0.15
136_M	144_V	0.728	0.14
10_V	175_L	0.726	0.14
87_C	94_L	0.720	0.14
59_D	230_F	0.716	0.14
85_V	216_A	0.712	0.14
123_R	137_D	0.709	0.14
53_H	173_E	0.705	0.14
65_F	92_Q	0.704	0.14
91_G	228_V	0.699	0.14
232_D	240_Y	0.696	0.14
13_R	28_S	0.694	0.14
13_R	29_G	0.694	0.14
13_R	26_H	0.694	0.14
13_R	31_E	0.694	0.14
138_Q	168_H	0.693	0.14
183_R	212_Q	0.692	0.14
100_E	106_R	0.690	0.14
50_G	53_H	0.690	0.14
132_T	224_E	0.688	0.14
170_R	201_T	0.687	0.14
58_P	189_A	0.682	0.13
15_S	116_I	0.676	0.13
112_A	133_G	0.672	0.13
146_V	216_A	0.671	0.13
61_M	95_A	0.670	0.13
182_S	251_I	0.669	0.13
64_Q	245_E	0.668	0.13
150_D	180_K	0.668	0.13
58_P	229_F	0.668	0.13
179_S	183_R	0.664	0.13
39_M	42_T	0.661	0.13
170_R	176_A	0.661	0.13
175_L	196_D	0.659	0.13
25_K	223_E	0.658	0.13
206_G	212_Q	0.655	0.13
36_F	73_K	0.655	0.13
34_I	122_V	0.654	0.13
142_K	186_A	0.653	0.13
168_H	230_F	0.651	0.13
122_V	137_D	0.651	0.13
72_I	147_S	0.648	0.13
58_P	170_R	0.646	0.13
97_L	101_K	0.643	0.13
12_M	31_E	0.641	0.13
12_M	29_G	0.641	0.13
12_M	28_S	0.641	0.13
12_M	26_H	0.641	0.13
94_L	188_V	0.640	0.13
119_W	216_A	0.637	0.13
7_F	200_I	0.635	0.13
49_K	139_T	0.632	0.13
149_M	172_K	0.632	0.13
12_M	56_G	0.631	0.13
84_E	118_E	0.629	0.12
77_P	151_W	0.628	0.12
170_R	173_E	0.627	0.12
55_R	103_G	0.626	0.12
75_I	200_I	0.624	0.12
80_V	228_V	0.624	0.12
112_A	188_V	0.623	0.12
88_P	113_Y	0.623	0.12
168_H	171_I	0.620	0.12
146_V	181_V	0.620	0.12
93_K	188_V	0.619	0.12
53_H	146_V	0.618	0.12
46_L	65_F	0.617	0.12
197_P	249_I	0.613	0.12
191_L	244_L	0.610	0.12
64_Q	212_Q	0.604	0.12
10_V	16_M	0.604	0.12
41_H	128_F	0.604	0.12
91_G	103_G	0.602	0.12
8_Y	164_H	0.600	0.12
192_C	195_D	0.598	0.12
49_K	137_D	0.596	0.12
63_I	132_T	0.595	0.12
47_L	82_T	0.593	0.12
9_S	12_M	0.588	0.12
9_S	13_R	0.587	0.12
68_V	205_A	0.585	0.12
44_N	131_H	0.583	0.12
217_M	220_Y	0.583	0.12
74_T	252_E	0.582	0.12
42_T	71_S	0.581	0.12
103_G	142_K	0.581	0.12
126_V	240_Y	0.578	0.12
180_K	249_I	0.578	0.12
117_P	175_L	0.575	0.12
27_I	222_T	0.574	0.12
36_F	41_H	0.574	0.12
44_N	114_E	0.573	0.12
91_G	120_S	0.569	0.11
50_G	56_G	0.569	0.11
11_R	151_W	0.568	0.11
182_S	206_G	0.565	0.11
131_H	251_I	0.565	0.11
127_L	231_I	0.562	0.11
237_V	246_K	0.560	0.11
49_K	240_Y	0.559	0.11
75_I	146_V	0.558	0.11
170_R	210_G	0.558	0.11
192_C	211_Y	0.557	0.11
27_I	56_G	0.552	0.11
99_L	150_D	0.551	0.11
214_I	247_Q	0.547	0.11
63_I	86_S	0.546	0.11
63_I	75_I	0.545	0.11
208_K	221_G	0.544	0.11
104_V	207_K	0.543	0.11
32_R	133_G	0.543	0.11
59_D	62_Q	0.542	0.11
106_R	237_V	0.541	0.11
173_E	196_D	0.541	0.11
33_L	252_E	0.540	0.11
54_S	173_E	0.537	0.11
108_V	230_F	0.537	0.11
99_L	181_V	0.537	0.11
73_K	87_C	0.536	0.11
79_P	237_V	0.536	0.11
180_K	188_V	0.534	0.11
173_E	185_P	0.533	0.11
102_E	204_V	0.533	0.11
94_L	132_T	0.532	0.11
10_V	214_I	0.528	0.11
143_G	244_L	0.528	0.11
56_G	72_I	0.528	0.11
72_I	229_F	0.526	0.11
40_K	152_P	0.525	0.11
49_K	250_L	0.520	0.11
35_P	42_T	0.520	0.11
80_V	230_F	0.517	0.11
87_C	248_P	0.515	0.11
97_L	207_K	0.514	0.11
33_L	212_Q	0.514	0.11
94_L	137_D	0.513	0.11
119_W	251_I	0.511	0.11
76_Q	252_E	0.509	0.11
15_S	193_W	0.507	0.10
72_I	105_S	0.507	0.10
55_R	95_A	0.506	0.10
47_L	150_D	0.506	0.10
99_L	250_L	0.505	0.10
37_H	97_L	0.505	0.10
47_L	55_R	0.505	0.10
166_P	232_D	0.504	0.10
34_I	62_Q	0.503	0.10
82_T	103_G	0.503	0.10
10_V	73_K	0.500	0.10

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
4nexA	2	0.5869	11	0.976	Contact Map
2lr4A	1	0.3282	10.5	0.976	Contact Map
3oiqB	1	0.1158	9.7	0.976	Contact Map
4wjqA	1	0.3089	7.4	0.978	Contact Map
4k90B	1	0.4479	7	0.978	Contact Map
2r2yA	1	0.3514	6.3	0.978	Contact Map
1p4kA	2	0.583	6.3	0.978	Contact Map
2gqcA	1	0.1429	5.4	0.979	Contact Map
2mnjA	1	0.0888	5.4	0.979	Contact Map
2px0A	4	0.5714	5.3	0.979	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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