ACUA - BACSU - GREMLIN Contacts

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ACUA - Acetoin utilization protein AcuA

UniProt:	P39065	Sequences: MEHHKTYHSANIKTATGSLLIEGPVSPEDLAGYEFHKDLTAFRPPREQHEALVDIAGLPEGRIIIARDGRTIVGYVTYLYPDPLERWSEGNMEDLIELGAIEVAPDYRGCAVGKTLLTVSMMDEQMENYIVMTTEYYWHWDLKGMKKDVWEYRKIMEKMMNAGGLVWFATDEPEISSHPANCLMARIGKNVSQESIEQFDRLRFYHRYMY	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	210 (210)
Sequences:	249 (161)
Seq/√Len:	11.1

BACSU - ACUA

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
128_N	190_N	6.040	1.00
124_E	190_N	5.218	1.00
27_P	57_G	4.338	1.00
14_T	17_G	4.265	1.00
121_M	163_G	4.178	0.99
36_H	104_A	3.508	0.98
94_D	192_S	3.490	0.98
92_M	195_S	2.751	0.91
22_E	67_R	2.724	0.91
116_L	120_S	2.688	0.90
19_L	112_V	2.549	0.88
78_Y	120_S	2.465	0.86
79_L	83_P	2.400	0.84
76_V	116_L	2.320	0.82
167_W	176_S	2.241	0.80
119_V	145_M	2.154	0.77
21_I	119_V	2.066	0.74
148_D	151_E	2.045	0.73
124_E	128_N	1.997	0.71
121_M	162_A	1.986	0.71
168_F	185_A	1.974	0.70
159_M	163_G	1.897	0.67
113_G	133_T	1.890	0.67
94_D	195_S	1.874	0.66
36_H	71_T	1.871	0.66
22_E	65_I	1.803	0.63
27_P	56_A	1.794	0.63
153_R	157_E	1.786	0.62
38_D	105_P	1.784	0.62
66_A	103_V	1.740	0.60
49_H	53_V	1.731	0.60
121_M	159_M	1.705	0.59
121_M	131_V	1.694	0.58
47_E	107_Y	1.625	0.55
6_T	164_G	1.613	0.54
122_M	145_M	1.603	0.54
55_I	77_T	1.600	0.54
54_D	58_L	1.506	0.49
113_G	159_M	1.494	0.49
7_Y	25_V	1.489	0.48
64_I	103_V	1.459	0.47
26_S	70_R	1.405	0.44
21_I	146_K	1.395	0.44
73_V	89_E	1.389	0.44
90_G	96_I	1.365	0.42
156_M	160_M	1.359	0.42
38_D	106_D	1.349	0.42
159_M	162_A	1.336	0.41
157_E	182_C	1.331	0.41
58_L	169_A	1.326	0.41
79_L	159_M	1.316	0.40
10_A	122_M	1.312	0.40
25_V	65_I	1.311	0.40
17_G	68_D	1.302	0.39
47_E	145_M	1.297	0.39
158_K	165_L	1.294	0.39
68_D	107_Y	1.286	0.39
52_L	59_P	1.283	0.39
27_P	53_V	1.282	0.39
129_Y	143_K	1.280	0.38
134_T	137_Y	1.272	0.38
55_I	116_L	1.265	0.38
144_G	153_R	1.256	0.37
8_H	91_N	1.247	0.37
104_A	167_W	1.242	0.37
8_H	13_K	1.236	0.36
133_T	208_Y	1.234	0.36
134_T	174_E	1.194	0.35
44_P	105_P	1.191	0.34
38_D	104_A	1.178	0.34
36_H	210_Y	1.172	0.34
151_E	154_K	1.170	0.34
95_L	130_I	1.153	0.33
127_E	189_K	1.151	0.33
192_S	195_S	1.139	0.32
109_G	205_Y	1.138	0.32
167_W	209_M	1.134	0.32
95_L	177_S	1.130	0.32
177_S	182_C	1.130	0.32
111_A	115_T	1.123	0.32
34_E	70_R	1.106	0.31
137_Y	157_E	1.102	0.31
161_N	209_M	1.088	0.30
35_F	72_I	1.084	0.30
171_D	177_S	1.078	0.30
55_I	61_G	1.074	0.30
144_G	164_G	1.060	0.29
19_L	73_V	1.059	0.29
111_A	114_K	1.053	0.29
95_L	182_C	1.050	0.29
85_E	160_M	1.050	0.29
105_P	202_L	1.048	0.28
90_G	202_L	1.032	0.28
153_R	167_W	1.013	0.27
30_L	72_I	1.001	0.27
117_L	193_Q	0.998	0.27
161_N	176_S	0.987	0.26
104_A	210_Y	0.986	0.26
30_L	49_H	0.983	0.26
36_H	92_M	0.962	0.25
95_L	165_L	0.957	0.25
6_T	185_A	0.957	0.25
10_A	202_L	0.953	0.25
34_E	37_K	0.951	0.25
38_D	92_M	0.949	0.25
31_A	56_A	0.944	0.25
187_I	203_R	0.943	0.25
52_L	209_M	0.934	0.24
55_I	76_V	0.929	0.24
40_T	105_P	0.922	0.24
150_W	157_E	0.918	0.24
2_E	205_Y	0.913	0.23
120_S	146_K	0.912	0.23
111_A	121_M	0.908	0.23
64_I	116_L	0.906	0.23
96_I	131_V	0.905	0.23
9_S	20_L	0.903	0.23
52_L	56_A	0.900	0.23
85_E	177_S	0.896	0.23
195_S	207_R	0.891	0.23
78_Y	146_K	0.890	0.23
153_R	195_S	0.886	0.23
50_E	190_N	0.883	0.22
95_L	174_E	0.880	0.22
91_N	106_D	0.878	0.22
105_P	165_L	0.877	0.22
69_G	115_T	0.872	0.22
53_V	106_D	0.868	0.22
83_P	159_M	0.861	0.22
92_M	210_Y	0.859	0.22
33_Y	196_I	0.855	0.22
157_E	167_W	0.852	0.21
34_E	54_D	0.837	0.21
13_K	17_G	0.835	0.21
103_V	120_S	0.831	0.21
73_V	168_F	0.828	0.21
92_M	95_L	0.823	0.21
25_V	53_V	0.823	0.21
28_E	201_R	0.818	0.20
66_A	116_L	0.817	0.20
25_V	32_G	0.810	0.20
8_H	117_L	0.802	0.20
79_L	121_M	0.801	0.20
48_Q	135_E	0.800	0.20
169_A	208_Y	0.799	0.20
176_S	209_M	0.796	0.20
85_E	156_M	0.796	0.20
126_M	150_W	0.795	0.20
149_V	169_A	0.795	0.20
77_T	82_D	0.794	0.20
56_A	191_V	0.793	0.20
11_N	18_S	0.792	0.20
147_K	172_E	0.789	0.19
20_L	67_R	0.788	0.19
8_H	21_I	0.788	0.19
18_S	69_G	0.787	0.19
84_L	151_E	0.785	0.19
62_R	156_M	0.774	0.19
100_A	174_E	0.771	0.19
200_D	210_Y	0.769	0.19
24_P	135_E	0.765	0.19
33_Y	168_F	0.763	0.19
165_L	197_E	0.759	0.19
71_T	191_V	0.758	0.19
13_K	18_S	0.757	0.19
63_I	136_Y	0.757	0.19
117_L	196_I	0.752	0.18
169_A	176_S	0.751	0.18
29_D	202_L	0.746	0.18
83_P	126_M	0.746	0.18
12_I	16_T	0.740	0.18
126_M	129_Y	0.735	0.18
50_E	59_P	0.734	0.18
127_E	143_K	0.733	0.18
169_A	209_M	0.733	0.18
38_D	164_G	0.733	0.18
40_T	45_P	0.730	0.18
92_M	130_I	0.727	0.18
55_I	82_D	0.723	0.18
13_K	29_D	0.723	0.18
124_E	127_E	0.723	0.18
18_S	115_T	0.722	0.18
2_E	111_A	0.720	0.17
13_K	118_T	0.717	0.17
11_N	194_E	0.715	0.17
106_D	185_A	0.715	0.17
176_S	185_A	0.714	0.17
10_A	115_T	0.713	0.17
55_I	108_R	0.711	0.17
116_L	202_L	0.710	0.17
135_E	180_A	0.710	0.17
34_E	71_T	0.707	0.17
108_R	130_I	0.706	0.17
64_I	122_M	0.705	0.17
59_P	189_K	0.702	0.17
111_A	165_L	0.701	0.17
46_R	50_E	0.698	0.17
34_E	112_V	0.696	0.17
23_G	135_E	0.696	0.17
13_K	38_D	0.696	0.17
130_I	195_S	0.695	0.17
150_W	191_V	0.694	0.17
60_E	80_Y	0.690	0.17
79_L	117_L	0.690	0.17
62_R	160_M	0.690	0.17
14_T	112_V	0.685	0.16
36_H	73_V	0.684	0.16
7_Y	22_E	0.679	0.16
153_R	176_S	0.678	0.16
143_K	206_H	0.676	0.16
39_L	117_L	0.668	0.16
21_I	184_M	0.663	0.16
19_L	198_Q	0.660	0.16
119_V	122_M	0.660	0.16
17_G	26_S	0.656	0.16
78_Y	90_G	0.655	0.16
44_P	132_M	0.655	0.16
9_S	46_R	0.655	0.16
13_K	189_K	0.653	0.16
112_V	208_Y	0.646	0.15
4_H	65_I	0.643	0.15
19_L	210_Y	0.642	0.15
93_E	185_A	0.642	0.15
7_Y	16_T	0.639	0.15
135_E	178_H	0.637	0.15
26_S	69_G	0.636	0.15
59_P	106_D	0.635	0.15
19_L	31_A	0.634	0.15
10_A	106_D	0.632	0.15
6_T	11_N	0.632	0.15
77_T	108_R	0.627	0.15
4_H	9_S	0.627	0.15
101_I	106_D	0.625	0.15
40_T	120_S	0.625	0.15
121_M	155_I	0.621	0.15
38_D	69_G	0.618	0.15
125_Q	206_H	0.614	0.15
194_E	198_Q	0.614	0.15
4_H	124_E	0.614	0.15
2_E	91_N	0.609	0.15
4_H	190_N	0.608	0.15
61_G	76_V	0.607	0.15
12_I	46_R	0.602	0.14
2_E	10_A	0.602	0.14
35_F	79_L	0.602	0.14
20_L	31_A	0.601	0.14
85_E	203_R	0.600	0.14
14_T	65_I	0.598	0.14
63_I	83_P	0.597	0.14
157_E	177_S	0.596	0.14
41_A	85_E	0.595	0.14
134_T	182_C	0.591	0.14
120_S	185_A	0.591	0.14
84_L	204_F	0.590	0.14
48_Q	99_G	0.589	0.14
49_H	73_V	0.588	0.14
37_K	146_K	0.588	0.14
159_M	165_L	0.586	0.14
41_A	156_M	0.584	0.14
30_L	53_V	0.580	0.14
14_T	202_L	0.579	0.14
137_Y	182_C	0.577	0.14
118_T	122_M	0.576	0.14
41_A	160_M	0.575	0.14
60_E	149_V	0.574	0.14
158_K	163_G	0.569	0.14
23_G	178_H	0.568	0.14
2_E	154_K	0.568	0.14
109_G	112_V	0.566	0.14
51_A	60_E	0.565	0.14
128_N	205_Y	0.563	0.13
2_E	9_S	0.559	0.13
4_H	33_Y	0.553	0.13
91_N	202_L	0.552	0.13
86_R	129_Y	0.551	0.13
133_T	206_H	0.550	0.13
124_E	192_S	0.549	0.13
193_Q	202_L	0.548	0.13
191_V	195_S	0.547	0.13
62_R	85_E	0.547	0.13
47_E	58_L	0.546	0.13
94_D	153_R	0.545	0.13
13_K	106_D	0.542	0.13
125_Q	131_V	0.541	0.13
21_I	41_A	0.541	0.13
35_F	132_M	0.540	0.13
205_Y	209_M	0.540	0.13
104_A	145_M	0.536	0.13
123_D	159_M	0.536	0.13
189_K	194_E	0.535	0.13
2_E	13_K	0.530	0.13
205_Y	208_Y	0.530	0.13
65_I	132_M	0.530	0.13
16_T	202_L	0.530	0.13
143_K	146_K	0.529	0.13
160_M	182_C	0.526	0.13
62_R	82_D	0.523	0.13
25_V	93_E	0.522	0.13
112_V	197_E	0.522	0.13
85_E	182_C	0.517	0.12
137_Y	177_S	0.517	0.12
9_S	32_G	0.516	0.12
31_A	53_V	0.516	0.12
91_N	117_L	0.515	0.12
82_D	160_M	0.514	0.12
129_Y	148_D	0.514	0.12
13_K	26_S	0.511	0.12
195_S	204_F	0.509	0.12
110_C	115_T	0.507	0.12
41_A	64_I	0.506	0.12
11_N	69_G	0.505	0.12
126_M	154_K	0.504	0.12
9_S	69_G	0.504	0.12
166_V	210_Y	0.502	0.12
85_E	136_Y	0.500	0.12

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
2q04A	5	0.9952	100	0.653	Contact Map
3lodA	1	0.6667	98.4	0.907	Contact Map
3pp9A	2	0.7333	98.3	0.908	Contact Map
2oh1A	1	0.7619	98.3	0.909	Contact Map
2q7bA	2	0.7095	98.3	0.909	Contact Map
1s3zA	2	0.6952	98.3	0.91	Contact Map
2fl4A	2	0.6857	98.3	0.91	Contact Map
3exnA	1	0.6905	98.2	0.911	Contact Map
1yx0A	1	0.6905	98.2	0.912	Contact Map
3fynA	2	0.6952	98.2	0.912	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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