ACUB - BACSU - GREMLIN Contacts

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ACUB - Acetoin utilization protein AcuB

UniProt:	P39066	Sequences: MIVEQIMKRDVITLTKTDTLETAICKLKEFHIRHLPVVDEERHVIGMITDRDMKQASPSIFEENKRSLFLTRSVDSIMKKDVVCAHPLDFVEEISAVFYEHGIGCLPVVHHQKLIGILTKTDLLRTFVKLTGADQPGSQIEIKVNDITKSLAEISSLCQDLQVKILSVLVYPHDDPGVKVLVFRVKTMNPLPFLQALQRNGHHVVWPSEQRDLL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	214 (173)
Sequences:	3452 (2248)
Seq/√Len:	170.9

ECOLI - IMDH KDSD
BACSU - ACUB CCPN YLBB IMDH YHCV YTOI
HALSA - Q9HQD0 Q9HPF4 Q9HMW8 Q9HRK9 IMDH Q9HNB6 Q9HNT8
SULSO - Q981B7 Q7LXY4 Q97U20 Q97V95 Q97U00 Q97VN1 Q97U50 Q97VD7 Q7LXN6 Q97Z58

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
85_A	108_V	3.908	1.00
110_H	113_K	3.414	1.00
14_L	37_V	3.304	1.00
176_P	180_V	3.291	1.00
72_R	76_S	3.001	1.00
14_L	18_D	2.968	1.00
18_D	22_T	2.843	1.00
156_S	160_D	2.752	1.00
133_A	141_E	2.626	1.00
25_C	29_E	2.568	1.00
21_E	25_C	2.504	1.00
15_T	18_D	2.478	1.00
87_P	115_I	2.392	1.00
16_K	45_I	2.352	1.00
39_D	43_H	2.218	1.00
180_V	183_F	2.187	1.00
23_A	74_V	2.150	1.00
56_A	72_R	2.119	1.00
73_S	76_S	2.073	1.00
41_E	113_K	2.063	1.00
83_V	101_H	2.041	1.00
14_L	23_A	2.032	1.00
151_L	181_L	2.008	1.00
17_T	75_D	1.919	1.00
43_H	113_K	1.906	1.00
89_D	93_E	1.790	1.00
48_I	77_I	1.749	1.00
16_K	75_D	1.702	1.00
15_T	40_E	1.691	1.00
183_F	187_T	1.668	1.00
90_F	93_E	1.612	1.00
87_P	110_H	1.594	1.00
12_I	32_I	1.589	1.00
184_R	188_M	1.562	1.00
27_L	35_L	1.556	1.00
145_N	155_S	1.556	1.00
86_H	89_D	1.522	1.00
85_A	89_D	1.508	1.00
170_V	178_V	1.495	1.00
24_I	28_K	1.492	1.00
23_A	48_I	1.484	1.00
14_L	35_L	1.476	1.00
50_D	54_K	1.422	1.00
94_I	98_F	1.414	1.00
96_A	100_E	1.395	1.00
94_I	106_L	1.392	1.00
34_H	105_C	1.388	1.00
181_L	184_R	1.386	1.00
44_V	114_L	1.368	1.00
20_L	56_A	1.361	1.00
16_K	39_D	1.346	1.00
14_L	74_V	1.337	1.00
23_A	35_L	1.318	1.00
180_V	184_R	1.310	1.00
156_S	188_M	1.301	1.00
155_S	166_L	1.293	1.00
21_E	71_T	1.273	1.00
37_V	74_V	1.272	1.00
155_S	185_V	1.267	1.00
93_E	96_A	1.238	1.00
91_V	95_S	1.228	1.00
15_T	39_D	1.223	1.00
124_L	128_V	1.165	1.00
112_Q	115_I	1.164	1.00
23_A	27_L	1.147	1.00
47_M	79_K	1.115	1.00
11_V	117_I	1.113	1.00
39_D	45_I	1.112	1.00
22_T	25_C	1.106	1.00
52_D	79_K	1.097	1.00
36_P	44_V	1.093	1.00
153_E	156_S	1.091	1.00
57_S	96_A	1.071	1.00
17_T	73_S	1.043	0.99
12_I	30_F	1.039	0.99
168_V	185_V	1.038	0.99
42_R	113_K	1.038	0.99
136_P	141_E	1.033	0.99
107_P	114_L	1.031	0.99
20_L	77_I	1.028	0.99
176_P	179_K	1.027	0.99
99_Y	102_G	1.025	0.99
109_V	112_Q	1.011	0.99
138_S	141_E	1.010	0.99
72_R	77_I	0.992	0.99
82_V	107_P	0.985	0.99
24_I	53_M	0.966	0.99
177_G	180_V	0.964	0.99
91_V	123_L	0.956	0.99
56_A	77_I	0.952	0.99
134_D	138_S	0.948	0.99
150_S	153_E	0.946	0.99
75_D	80_K	0.946	0.99
32_I	35_L	0.945	0.99
184_R	187_T	0.936	0.99
122_D	125_R	0.930	0.99
94_I	118_L	0.920	0.99
149_K	153_E	0.916	0.99
152_A	188_M	0.908	0.98
8_K	117_I	0.902	0.98
9_R	137_G	0.899	0.98
156_S	159_Q	0.899	0.98
166_L	170_V	0.896	0.98
152_A	155_S	0.880	0.98
152_A	156_S	0.878	0.98
43_H	111_H	0.877	0.98
27_L	53_M	0.876	0.98
179_K	183_F	0.862	0.98
120_K	124_L	0.852	0.98
15_T	45_I	0.852	0.98
18_D	35_L	0.849	0.98
34_H	104_G	0.844	0.98
34_H	119_T	0.838	0.97
47_M	52_D	0.831	0.97
46_G	78_M	0.828	0.97
44_V	107_P	0.826	0.97
19_T	73_S	0.825	0.97
174_D	178_V	0.824	0.97
11_V	173_H	0.814	0.97
152_A	184_R	0.811	0.97
53_M	56_A	0.801	0.97
168_V	182_V	0.792	0.96
19_T	22_T	0.779	0.96
23_A	95_S	0.772	0.96
12_I	37_V	0.769	0.96
167_S	171_Y	0.769	0.96
32_I	36_P	0.767	0.96
54_K	108_V	0.764	0.96
147_I	151_L	0.762	0.96
133_A	137_G	0.759	0.95
20_L	53_M	0.757	0.95
12_I	26_K	0.757	0.95
70_L	73_S	0.750	0.95
95_S	123_L	0.749	0.95
148_T	151_L	0.749	0.95
182_V	185_V	0.743	0.95
11_V	49_T	0.742	0.95
31_H	50_D	0.739	0.95
36_P	122_D	0.737	0.95
176_P	183_F	0.734	0.95
89_D	97_V	0.727	0.94
163_V	166_L	0.727	0.94
58_P	71_T	0.726	0.94
146_D	150_S	0.723	0.94
151_L	155_S	0.722	0.94
124_L	141_E	0.720	0.94
143_K	147_I	0.716	0.94
33_R	102_G	0.715	0.94
97_V	101_H	0.714	0.94
95_S	126_T	0.706	0.93
153_E	157_L	0.703	0.93
47_M	117_I	0.701	0.93
27_L	30_F	0.695	0.93
33_R	120_K	0.695	0.93
143_K	146_D	0.693	0.93
20_L	72_R	0.691	0.93
135_Q	139_Q	0.683	0.92
157_L	160_D	0.682	0.92
26_K	35_L	0.681	0.92
147_I	150_S	0.681	0.92
39_D	113_K	0.681	0.92
13_T	42_R	0.680	0.92
175_D	179_K	0.678	0.92
35_L	124_L	0.675	0.92
24_I	108_V	0.674	0.92
99_Y	125_R	0.674	0.92
34_H	117_I	0.673	0.92
144_V	148_T	0.662	0.91
50_D	117_I	0.662	0.91
105_C	117_I	0.662	0.91
85_A	94_I	0.660	0.91
15_T	38_V	0.658	0.91
58_P	72_R	0.655	0.90
24_I	35_L	0.650	0.90
53_M	95_S	0.649	0.90
169_L	172_P	0.643	0.90
47_M	105_C	0.639	0.89
8_K	122_D	0.639	0.89
92_E	95_S	0.639	0.89
55_Q	99_Y	0.639	0.89
133_A	136_P	0.637	0.89
155_S	159_Q	0.637	0.89
34_H	107_P	0.637	0.89
164_K	172_P	0.634	0.89
145_N	148_T	0.634	0.89
16_K	38_V	0.634	0.89
51_R	54_K	0.634	0.89
166_L	169_L	0.633	0.89
35_L	74_V	0.630	0.89
12_I	35_L	0.630	0.89
185_V	188_M	0.626	0.88
150_S	154_I	0.621	0.88
71_T	80_K	0.621	0.88
15_T	75_D	0.619	0.88
21_E	136_P	0.618	0.88
98_F	105_C	0.612	0.87
151_L	170_V	0.610	0.87
159_Q	163_V	0.608	0.87
146_D	155_S	0.595	0.86
33_R	52_D	0.592	0.86
27_L	123_L	0.589	0.85
38_V	45_I	0.589	0.85
26_K	30_F	0.589	0.85
86_H	90_F	0.588	0.85
135_Q	173_H	0.586	0.85
23_A	127_F	0.585	0.85
98_F	106_L	0.585	0.85
103_I	106_L	0.583	0.85
144_V	147_I	0.579	0.84
147_I	170_V	0.578	0.84
34_H	51_R	0.572	0.84
39_D	42_R	0.572	0.84
18_D	26_K	0.570	0.83
78_M	84_C	0.564	0.83
47_M	51_R	0.564	0.83
158_C	163_V	0.561	0.82
158_C	161_L	0.560	0.82
53_M	91_V	0.559	0.82
48_I	56_A	0.557	0.82
104_G	121_T	0.557	0.82
158_C	165_I	0.557	0.82
111_H	187_T	0.555	0.82
158_C	169_L	0.553	0.81
137_G	141_E	0.551	0.81
27_L	31_H	0.551	0.81
163_V	178_V	0.548	0.81
15_T	25_C	0.546	0.81
78_M	119_T	0.545	0.81
7_M	36_P	0.545	0.81
95_S	102_G	0.541	0.80
8_K	11_V	0.541	0.80
168_V	181_L	0.540	0.80
18_D	75_D	0.538	0.80
51_R	104_G	0.538	0.80
18_D	74_V	0.537	0.80
149_K	184_R	0.536	0.79
17_T	40_E	0.534	0.79
90_F	97_V	0.534	0.79
47_M	82_V	0.531	0.79
16_K	72_R	0.527	0.78
43_H	112_Q	0.527	0.78
20_L	24_I	0.526	0.78
7_M	98_F	0.526	0.78
27_L	37_V	0.526	0.78
152_A	181_L	0.520	0.77
124_L	127_F	0.514	0.77
172_P	175_D	0.514	0.77
178_V	182_V	0.514	0.77
176_P	181_L	0.513	0.76
88_L	108_V	0.511	0.76
83_V	103_I	0.511	0.76
91_V	126_T	0.510	0.76
85_A	97_V	0.508	0.76
132_G	154_I	0.507	0.76
95_S	120_K	0.506	0.75
12_I	74_V	0.505	0.75
17_T	39_D	0.504	0.75
25_C	31_H	0.504	0.75
143_K	148_T	0.501	0.75
13_T	115_I	0.500	0.75

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
1vr9A	1	0.5561	100	0.366	Contact Map
3l2bA	2	0.5654	100	0.417	Contact Map
3orgA	2	0.5374	99.9	0.443	Contact Map
4cooA	2	0.5794	99.9	0.445	Contact Map
3pc3A	2	0.5841	99.9	0.45	Contact Map
4nocA	2	0.6075	99.9	0.459	Contact Map
4esyA	2	0.6075	99.9	0.461	Contact Map
3fhmA	2	0.5841	99.9	0.464	Contact Map
2j9lA	3	0.6729	99.9	0.464	Contact Map
2d4zA	3	0.5935	99.9	0.465	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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