PAND - BACSU - GREMLIN Contacts

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PAND - Aspartate 1-decarboxylase

UniProt:	P52999	Sequences: MYRTMMSGKLHRATVTEANLNYVGSITIDEDLIDAVGMLPNEKVQIVNNNNGARLETYIIPGKRGSGVICLNGAAARLVQEGDKVIIISYKMMSDQEAASHEPKVAVLNDQNKIEQMLGNEPARTIL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	127 (117)
Sequences:	1733 (849)
Seq/√Len:	78.5

ECOLI - PAND
BACSU - PAND

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
38_M	59_I	3.437	1.00
45_Q	56_E	3.278	1.00
53_A	78_L	3.018	1.00
30_E	61_P	2.793	1.00
34_D	64_R	2.630	1.00
47_V	88_I	2.508	1.00
109_N	113_K	2.480	1.00
30_E	64_R	2.437	1.00
31_D	65_G	2.385	1.00
28_I	69_I	2.148	1.00
26_I	46_I	2.100	1.00
27_T	62_G	2.066	1.00
10_L	108_L	2.058	1.00
43_K	56_E	2.045	1.00
35_A	114_I	2.014	1.00
7_S	42_E	1.984	1.00
48_N	79_V	1.864	1.00
33_I	59_I	1.806	1.00
49_N	84_K	1.802	1.00
31_D	64_R	1.736	1.00
36_V	106_A	1.736	1.00
26_I	44_V	1.722	1.00
77_R	80_Q	1.720	1.00
4_T	92_M	1.674	1.00
2_Y	92_M	1.669	1.00
3_R	95_D	1.598	1.00
67_G	113_K	1.584	1.00
55_L	79_V	1.568	0.99
93_M	98_A	1.552	0.99
50_N	77_R	1.487	0.99
17_E	70_C	1.477	0.99
37_G	104_K	1.421	0.99
4_T	43_K	1.414	0.99
10_L	13_A	1.367	0.99
3_R	37_G	1.335	0.98
7_S	91_K	1.325	0.98
40_P	61_P	1.298	0.98
38_M	89_S	1.290	0.98
69_I	87_I	1.281	0.98
28_I	87_I	1.277	0.98
32_L	108_L	1.250	0.97
13_A	108_L	1.233	0.97
93_M	101_H	1.227	0.97
50_N	84_K	1.219	0.97
47_V	90_Y	1.212	0.97
30_E	34_D	1.200	0.97
33_I	38_M	1.191	0.97
6_M	88_I	1.155	0.96
84_K	110_D	1.129	0.95
13_A	85_V	1.120	0.95
39_L	99_A	1.102	0.95
14_T	84_K	1.062	0.94
45_Q	90_Y	1.059	0.93
31_D	34_D	1.033	0.93
28_I	59_I	1.012	0.92
93_M	97_E	0.993	0.91
39_L	98_A	0.991	0.91
12_R	84_K	0.970	0.90
69_I	85_V	0.969	0.90
6_M	41_N	0.968	0.90
23_V	47_V	0.964	0.90
15_V	79_V	0.964	0.90
27_T	70_C	0.952	0.89
49_N	74_A	0.946	0.89
94_S	97_E	0.943	0.89
5_M	39_L	0.942	0.89
16_T	68_V	0.936	0.88
33_I	36_V	0.929	0.88
23_V	107_V	0.921	0.88
35_A	106_A	0.905	0.87
8_G	37_G	0.895	0.86
5_M	93_M	0.883	0.85
26_I	79_V	0.878	0.85
8_G	38_M	0.877	0.85
3_R	98_A	0.875	0.85
98_A	101_H	0.875	0.85
71_L	77_R	0.871	0.85
48_N	53_A	0.869	0.84
29_D	66_S	0.859	0.84
3_R	7_S	0.854	0.83
28_I	33_I	0.854	0.83
7_S	89_S	0.844	0.83
4_T	42_E	0.841	0.82
33_I	61_P	0.829	0.81
32_L	67_G	0.826	0.81
47_V	74_A	0.797	0.79
74_A	90_Y	0.784	0.78
71_L	79_V	0.784	0.78
26_I	85_V	0.762	0.76
2_Y	94_S	0.759	0.75
21_N	84_K	0.756	0.75
40_P	49_N	0.748	0.74
39_L	95_D	0.742	0.74
15_V	85_V	0.737	0.73
41_N	103_P	0.736	0.73
8_G	104_K	0.735	0.73
50_N	83_D	0.732	0.73
18_A	80_Q	0.721	0.72
8_G	89_S	0.719	0.71
55_L	78_L	0.711	0.71
36_V	107_V	0.706	0.70
78_L	81_E	0.702	0.70
77_R	83_D	0.693	0.69
37_G	95_D	0.689	0.68
31_D	35_A	0.686	0.68
95_D	99_A	0.675	0.67
20_L	77_R	0.647	0.63
31_D	67_G	0.645	0.63
62_G	68_V	0.643	0.63
17_E	68_V	0.639	0.62
7_S	37_G	0.637	0.62
74_A	86_I	0.632	0.62
5_M	98_A	0.627	0.61
12_R	21_N	0.627	0.61
21_N	77_R	0.626	0.61
55_L	71_L	0.621	0.60
96_Q	100_S	0.620	0.60
108_L	114_I	0.619	0.60
13_A	69_I	0.614	0.59
5_M	95_D	0.611	0.59
46_I	56_E	0.611	0.59
36_V	117_M	0.610	0.59
51_N	83_D	0.607	0.58
36_V	104_K	0.605	0.58
55_L	75_A	0.604	0.58
62_G	72_N	0.603	0.58
12_R	23_V	0.603	0.58
41_N	88_I	0.599	0.57
109_N	115_E	0.597	0.57
48_N	83_D	0.595	0.57
91_K	101_H	0.595	0.57
23_V	115_E	0.594	0.57
43_K	90_Y	0.590	0.56
106_A	117_M	0.576	0.55
63_K	66_S	0.575	0.54
46_I	79_V	0.570	0.54
27_T	72_N	0.568	0.54
3_R	39_L	0.563	0.53
18_A	70_C	0.561	0.53
29_D	65_G	0.561	0.53
20_L	35_A	0.561	0.53
21_N	50_N	0.560	0.52
5_M	101_H	0.560	0.52
19_N	70_C	0.555	0.52
7_S	101_H	0.554	0.52
44_V	87_I	0.553	0.52
42_E	45_Q	0.549	0.51
8_G	106_A	0.548	0.51
34_D	37_G	0.547	0.51
3_R	91_K	0.547	0.51
54_R	75_A	0.547	0.51
48_N	51_N	0.546	0.51
41_N	101_H	0.545	0.51
62_G	66_S	0.543	0.50
100_S	111_Q	0.543	0.50
17_E	71_L	0.542	0.50
26_I	70_C	0.538	0.50
51_N	90_Y	0.538	0.50
36_V	108_L	0.536	0.49
3_R	42_E	0.533	0.49
45_Q	88_I	0.533	0.49
42_E	89_S	0.529	0.49
23_V	40_P	0.527	0.48
108_L	112_N	0.526	0.48
10_L	28_I	0.526	0.48
18_A	46_I	0.523	0.48
67_G	108_L	0.523	0.48
107_V	116_Q	0.522	0.48
14_T	110_D	0.520	0.47
14_T	67_G	0.519	0.47
95_D	98_A	0.513	0.46
53_A	77_R	0.507	0.46
74_A	88_I	0.503	0.45
32_L	109_N	0.502	0.45
81_E	116_Q	0.500	0.45
32_L	106_A	0.500	0.45

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
1pqhA	3	0.9134	100	0.028	Contact Map
2c45A	3	0.8898	100	0.044	Contact Map
3ougA	5	0.8425	100	0.077	Contact Map
3plxB	3	0.7874	100	0.263	Contact Map
1vc3B	3	0.748	100	0.278	Contact Map
1uheA	5	0.7638	100	0.305	Contact Map
3plxA	3	0.189	99	0.79	Contact Map
1vc3A	1	0.189	99	0.79	Contact Map
1uheB	2	0.189	99	0.79	Contact Map
1cz4A	1	0.9134	85.9	0.917	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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