Q97VK2 - SULSO - GREMLIN Contacts

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Q97VK2 - Phenylacetic acid degradation paaI protein homolog (PaaI)

UniProt:	Q97VK2	Sequences: MKESPFLKFLNIELEEIREGYARVSGVVAKDFLNLHNTAHGSFIFAIADAAFEYISNFSRDSVALHMDIDFRRPVKEGEKVIAEAFEESSGKTTSLYRIIVKNEDGKLVAYVTALVYHLDN	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	121 (112)
Sequences:	1990 (1389)
Seq/√Len:	131.2

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

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
15_E	25_S	3.532	1.00
25_S	80_K	2.960	1.00
13_E	25_S	2.720	1.00
65_L	94_T	2.384	1.00
23_R	84_E	2.279	1.00
45_F	67_M	2.273	1.00
26_G	43_F	2.115	1.00
16_E	23_R	2.070	1.00
18_R	21_Y	2.051	1.00
84_E	102_K	2.036	1.00
16_E	21_Y	2.018	1.00
24_V	51_A	1.894	1.00
20_G	58_F	1.809	1.00
48_A	99_I	1.786	1.00
45_F	69_I	1.744	1.00
21_Y	84_E	1.739	1.00
79_E	104_E	1.722	1.00
27_V	80_K	1.705	1.00
15_E	23_R	1.579	1.00
79_E	103_N	1.576	1.00
100_I	108_L	1.544	1.00
103_N	107_K	1.522	1.00
28_V	39_A	1.517	1.00
45_F	71_F	1.501	1.00
21_Y	86_F	1.482	1.00
25_S	82_I	1.439	1.00
51_A	83_A	1.438	1.00
9_F	31_D	1.434	1.00
59_S	87_E	1.383	1.00
56_S	116_V	1.380	1.00
29_A	32_F	1.371	1.00
70_D	115_L	1.342	1.00
23_R	82_I	1.340	1.00
30_K	77_E	1.332	1.00
86_F	100_I	1.329	1.00
39_A	75_V	1.323	1.00
66_H	70_D	1.321	1.00
87_E	90_S	1.306	1.00
26_G	47_I	1.267	1.00
44_I	110_A	1.245	1.00
52_F	99_I	1.243	1.00
73_R	107_K	1.239	1.00
98_R	113_T	1.229	1.00
100_I	111_Y	1.193	0.99
88_E	98_R	1.190	0.99
39_A	81_V	1.188	0.99
59_S	90_S	1.172	0.99
52_F	116_V	1.167	0.99
48_A	112_V	1.166	0.99
75_V	109_V	1.141	0.99
66_H	115_L	1.123	0.99
7_L	54_Y	1.110	0.99
44_I	101_V	1.110	0.99
38_T	63_V	1.094	0.99
35_L	53_E	1.067	0.99
52_F	114_A	1.065	0.99
98_R	111_Y	1.059	0.99
30_K	33_L	1.058	0.99
81_V	101_V	1.056	0.99
84_E	106_G	1.022	0.98
88_E	111_Y	1.022	0.98
20_G	55_I	1.019	0.98
81_V	109_V	1.014	0.98
13_E	80_K	1.012	0.98
102_K	106_G	0.994	0.98
89_S	94_T	0.975	0.98
20_G	87_E	0.974	0.98
12_I	24_V	0.972	0.98
56_S	95_S	0.961	0.97
55_I	87_E	0.949	0.97
86_F	98_R	0.946	0.97
10_L	46_A	0.945	0.97
87_E	97_Y	0.933	0.97
72_R	89_S	0.920	0.97
50_A	54_Y	0.919	0.97
24_V	54_Y	0.899	0.96
42_S	46_A	0.895	0.96
13_E	27_V	0.894	0.96
40_H	50_A	0.852	0.95
52_F	64_A	0.847	0.95
56_S	97_Y	0.846	0.95
9_F	43_F	0.829	0.94
48_A	69_I	0.816	0.94
83_A	99_I	0.813	0.93
7_L	50_A	0.792	0.93
67_M	99_I	0.790	0.93
66_H	113_T	0.789	0.92
64_A	67_M	0.783	0.92
6_F	46_A	0.783	0.92
28_V	33_L	0.778	0.92
65_L	115_L	0.774	0.92
49_D	64_A	0.774	0.92
62_S	116_V	0.769	0.91
48_A	101_V	0.767	0.91
32_F	43_F	0.766	0.91
6_F	43_F	0.758	0.91
5_P	30_K	0.752	0.91
33_L	77_E	0.744	0.90
84_E	100_I	0.740	0.90
64_A	71_F	0.734	0.89
18_R	23_R	0.729	0.89
56_S	62_S	0.725	0.89
73_R	91_G	0.724	0.89
82_I	103_N	0.713	0.88
55_I	85_A	0.712	0.88
5_P	8_K	0.704	0.87
34_N	71_F	0.696	0.87
67_M	112_V	0.695	0.87
60_R	90_S	0.694	0.87
10_L	32_F	0.694	0.87
68_D	115_L	0.690	0.86
69_I	110_A	0.679	0.86
60_R	92_K	0.674	0.85
75_V	81_V	0.671	0.85
80_K	104_E	0.668	0.85
34_N	52_F	0.666	0.84
95_S	116_V	0.663	0.84
96_L	113_T	0.662	0.84
85_A	97_Y	0.662	0.84
15_E	80_K	0.660	0.84
22_A	55_I	0.639	0.82
58_F	87_E	0.638	0.82
96_L	111_Y	0.637	0.82
36_H	61_D	0.631	0.81
9_F	29_A	0.624	0.80
68_D	113_T	0.623	0.80
91_G	94_T	0.621	0.80
99_I	112_V	0.620	0.80
34_N	41_G	0.609	0.79
87_E	95_S	0.609	0.79
64_A	114_A	0.606	0.78
12_I	50_A	0.603	0.78
19_E	87_E	0.599	0.78
70_D	96_L	0.597	0.77
52_F	57_N	0.597	0.77
12_I	26_G	0.594	0.77
37_N	77_E	0.593	0.77
64_A	116_V	0.585	0.76
6_F	9_F	0.578	0.75
66_H	96_L	0.574	0.75
70_D	113_T	0.572	0.74
76_K	107_K	0.568	0.74
55_I	97_Y	0.562	0.73
85_A	99_I	0.562	0.73
96_L	115_L	0.558	0.73
35_L	54_Y	0.557	0.72
56_S	113_T	0.556	0.72
36_H	63_V	0.549	0.71
10_L	26_G	0.548	0.71
72_R	91_G	0.547	0.71
53_E	116_V	0.540	0.70
34_N	38_T	0.539	0.70
103_N	106_G	0.539	0.70
18_R	58_F	0.538	0.70
52_F	97_Y	0.536	0.70
26_G	83_A	0.532	0.69
47_I	101_V	0.531	0.69
91_G	115_L	0.530	0.69
77_E	103_N	0.530	0.69
72_R	96_L	0.529	0.69
48_A	83_A	0.519	0.67
89_S	96_L	0.517	0.67
64_A	112_V	0.517	0.67
99_I	114_A	0.511	0.66
14_L	54_Y	0.509	0.66
35_L	62_S	0.507	0.65
88_E	108_L	0.505	0.65
73_R	89_S	0.500	0.64

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
4rmmA	2	0.9421	99.9	0.337	Contact Map
1yocA	4	0.9917	99.9	0.345	Contact Map
3f1tA	2	0.9835	99.9	0.349	Contact Map
3e8pA	3	0.9752	99.9	0.349	Contact Map
1t82A	2	0.9669	99.9	0.35	Contact Map
1sh8A	2	0.9752	99.9	0.352	Contact Map
3lmbA	2	0.9752	99.9	0.354	Contact Map
3gekA	3	0.9752	99.9	0.36	Contact Map
3hduA	4	0.9752	99.9	0.361	Contact Map
1vh5A	2	0.9835	99.9	0.362	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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