PAAI - ECOLI - GREMLIN Contacts

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PAAI - Acyl-coenzyme A thioesterase PaaI

UniProt:	P76084	Sequences: MSHKAWQNAHAMYENDACAKALGIDIISMDEGFAVVTMTVTAQMLNGHQSCHGGQLFSLADTAFAYACNSQGLAAVASACTIDFLRPGFAGDTLTATAQVRHQGKQTGVYDIEIVNQQQKTVALFRGKSHRIGGTITGEA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13743
Length:	140 (119)
Sequences:	5968 (4101)
Seq/√Len:	375.9

ECOLI - PAAI ENTH MENI YIGI
BACSU - COMA2
HALSA - Y1336
SULSO - Q97UX9 Y1253 Y2140 Q97VK2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
37_T	93_T	3.455	1.00
27_I	37_T	3.082	1.00
78_S	107_T	2.693	1.00
35_V	97_T	2.490	1.00
28_S	35_V	2.322	1.00
97_T	115_V	2.309	1.00
25_D	37_T	2.267	1.00
28_S	33_F	2.208	1.00
36_V	63_A	2.146	1.00
57_F	80_C	2.016	1.00
30_D	33_F	1.951	1.00
64_F	112_I	1.944	1.00
63_A	96_A	1.905	1.00
113_E	121_T	1.874	1.00
116_N	120_K	1.839	1.00
38_M	55_Q	1.830	1.00
33_F	97_T	1.793	1.00
37_T	95_T	1.763	1.00
35_V	95_T	1.761	1.00
100_V	103_Q	1.748	1.00
33_F	99_Q	1.735	1.00
86_R	120_K	1.731	1.00
68_C	108_G	1.703	1.00
111_D	124_L	1.641	1.00
60_A	125_F	1.621	1.00
39_T	93_T	1.589	1.00
57_F	82_I	1.584	1.00
101_R	111_D	1.579	1.00
73_L	133_G	1.541	1.00
99_Q	111_D	1.525	1.00
99_Q	113_E	1.499	1.00
64_F	127_G	1.496	1.00
60_A	112_I	1.422	1.00
18_C	55_Q	1.412	1.00
27_I	35_V	1.371	1.00
88_G	122_V	1.355	1.00
21_A	43_Q	1.354	1.00
79_A	83_D	1.348	1.00
101_R	124_L	1.315	1.00
18_C	58_S	1.311	1.00
57_F	84_F	1.302	1.00
56_L	123_A	1.270	1.00
113_E	124_L	1.262	1.00
68_C	129_S	1.262	1.00
40_V	51_C	1.248	1.00
102_H	107_T	1.180	1.00
42_A	45_L	1.152	1.00
82_I	123_A	1.150	1.00
41_T	44_M	1.135	1.00
45_L	90_A	1.122	1.00
88_G	94_L	1.117	1.00
60_A	114_I	1.114	1.00
85_L	124_L	1.107	1.00
51_C	94_L	1.106	1.00
96_A	112_I	1.086	1.00
115_V	119_Q	1.078	1.00
108_G	131_R	1.072	1.00
56_L	114_I	1.041	1.00
111_D	126_R	1.025	1.00
115_V	121_T	1.019	1.00
59_L	96_A	1.009	1.00
107_T	130_H	1.004	1.00
61_D	77_A	0.997	1.00
83_D	128_K	0.997	1.00
24_I	36_V	0.992	1.00
38_M	59_L	0.992	1.00
56_L	122_V	0.982	1.00
68_C	110_Y	0.978	1.00
50_S	76_V	0.977	1.00
93_T	117_Q	0.958	1.00
67_A	110_Y	0.949	1.00
106_Q	130_H	0.938	1.00
54_G	58_S	0.917	1.00
25_D	93_T	0.910	1.00
81_T	126_R	0.896	1.00
76_V	132_I	0.895	1.00
51_C	88_G	0.892	1.00
79_A	126_R	0.872	1.00
85_L	102_H	0.866	1.00
67_A	98_A	0.860	1.00
95_T	117_Q	0.853	1.00
42_A	90_A	0.853	1.00
25_D	39_T	0.845	1.00
100_V	110_Y	0.835	1.00
95_T	115_V	0.817	1.00
102_H	109_V	0.804	1.00
97_T	113_E	0.801	1.00
19_A	62_T	0.794	1.00
67_A	100_V	0.791	1.00
94_L	114_I	0.780	1.00
32_G	100_V	0.774	1.00
85_L	109_V	0.770	1.00
85_L	121_T	0.764	1.00
83_D	109_V	0.764	1.00
44_M	55_Q	0.763	1.00
109_V	128_K	0.760	1.00
56_L	84_F	0.756	1.00
70_S	73_L	0.754	1.00
64_F	129_S	0.754	1.00
53_G	84_F	0.737	1.00
26_I	36_V	0.736	1.00
86_R	102_H	0.728	1.00
39_T	44_M	0.727	1.00
79_A	128_K	0.727	1.00
69_N	75_A	0.722	1.00
94_L	122_V	0.708	1.00
27_I	93_T	0.706	0.99
112_I	127_G	0.705	0.99
69_N	74_A	0.698	0.99
80_C	84_F	0.694	0.99
50_S	87_P	0.692	0.99
32_G	67_A	0.687	0.99
61_D	65_A	0.681	0.99
96_A	114_I	0.681	0.99
40_V	45_L	0.681	0.99
47_G	65_A	0.681	0.99
80_C	125_F	0.680	0.99
22_L	58_S	0.680	0.99
52_H	62_T	0.671	0.99
19_A	66_Y	0.669	0.99
17_A	20_K	0.659	0.99
15_N	20_K	0.651	0.99
95_T	119_Q	0.649	0.99
65_A	129_S	0.635	0.99
98_A	110_Y	0.624	0.99
62_T	66_Y	0.620	0.99
77_A	80_C	0.617	0.99
64_F	110_Y	0.615	0.99
71_Q	100_V	0.612	0.99
105_K	133_G	0.611	0.99
88_G	116_N	0.610	0.99
34_A	67_A	0.610	0.99
75_A	131_R	0.607	0.98
64_F	125_F	0.603	0.98
40_V	44_M	0.601	0.98
14_E	20_K	0.599	0.98
23_G	43_Q	0.598	0.98
24_I	38_M	0.594	0.98
121_T	124_L	0.593	0.98
37_T	117_Q	0.587	0.98
63_A	98_A	0.584	0.98
77_A	127_G	0.580	0.98
16_D	47_G	0.579	0.98
60_A	82_I	0.578	0.98
103_Q	108_G	0.576	0.98
74_A	132_I	0.575	0.98
95_T	116_N	0.572	0.98
56_L	88_G	0.571	0.98
20_K	43_Q	0.569	0.98
21_A	55_Q	0.569	0.98
75_A	129_S	0.568	0.98
83_D	126_R	0.568	0.98
109_V	124_L	0.566	0.98
73_L	131_R	0.566	0.98
97_T	119_Q	0.564	0.98
56_L	61_D	0.559	0.97
103_Q	131_R	0.558	0.97
51_C	56_L	0.554	0.97
108_G	129_S	0.554	0.97
98_A	112_I	0.553	0.97
26_I	66_Y	0.551	0.97
27_I	36_V	0.541	0.97
46_N	50_S	0.540	0.97
78_S	130_H	0.538	0.97
48_H	69_N	0.534	0.97
18_C	21_A	0.529	0.96
116_N	122_V	0.527	0.96
77_A	129_S	0.523	0.96
71_Q	103_Q	0.520	0.96
76_V	130_H	0.519	0.96
23_G	41_T	0.513	0.96
48_H	76_V	0.511	0.96
24_I	58_S	0.508	0.96
17_A	42_A	0.503	0.95
40_V	94_L	0.502	0.95
59_L	114_I	0.501	0.95
46_N	52_H	0.501	0.95
82_I	125_F	0.500	0.95

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
3f1tA	2	0.9286	99.9	0.286	Contact Map
3e29A	3	0.9429	99.9	0.298	Contact Map
3e8pA	3	0.9286	99.9	0.305	Contact Map
4rmmA	2	0.9071	99.9	0.307	Contact Map
3hduA	4	0.9357	99.9	0.312	Contact Map
1yocA	4	0.95	99.9	0.314	Contact Map
3e1eA	3	0.95	99.9	0.317	Contact Map
3lbeA	2	0.8857	99.9	0.318	Contact Map
1t82A	2	0.9286	99.9	0.322	Contact Map
1sh8A	2	0.95	99.9	0.327	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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