PAND - ECOLI - GREMLIN Contacts

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PAND - Aspartate 1-decarboxylase

UniProt:	P0A790	Sequences: MIRTMLQGKLHRVKVTHADLHYEGSCAIDQDFLDAAGILENEAIDIWNVTNGKRFSTYAIAAERGSRIISVNGAAAHCASVGDIVIIASFVTMPDEEARTWRPNVAYFEGDNEMKRTAKAIPVQVA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11747
Length:	126 (117)
Sequences:	1734 (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_I	59_A	3.437	1.00
45_D	56_S	3.248	1.00
53_K	78_C	2.977	1.00
30_Q	61_A	2.822	1.00
34_D	64_R	2.606	1.00
109_E	113_E	2.501	1.00
47_W	88_A	2.460	1.00
30_Q	64_R	2.420	1.00
31_D	65_G	2.366	1.00
28_I	69_I	2.147	1.00
26_C	46_I	2.093	1.00
43_A	56_S	2.046	1.00
27_A	62_A	2.031	1.00
35_A	114_M	2.014	1.00
10_L	108_F	2.013	1.00
7_Q	42_E	1.974	1.00
48_N	79_A	1.844	1.00
49_V	84_I	1.789	1.00
33_L	59_A	1.778	1.00
77_H	80_S	1.724	1.00
31_D	64_R	1.715	1.00
26_C	44_I	1.704	1.00
2_I	92_T	1.700	1.00
36_A	106_A	1.698	1.00
4_T	92_T	1.661	1.00
3_R	95_D	1.603	1.00
67_R	113_E	1.575	1.00
55_F	79_A	1.570	0.99
93_M	98_A	1.539	0.99
17_H	70_S	1.465	0.99
50_T	77_H	1.446	0.99
37_G	104_N	1.432	0.99
4_T	43_A	1.397	0.99
10_L	13_V	1.389	0.99
7_Q	91_V	1.342	0.98
38_I	89_S	1.333	0.98
3_R	37_G	1.325	0.98
40_E	61_A	1.283	0.98
28_I	87_I	1.278	0.98
30_Q	34_D	1.267	0.98
32_F	108_F	1.249	0.97
69_I	87_I	1.245	0.97
13_V	108_F	1.244	0.97
93_M	101_W	1.237	0.97
47_W	90_F	1.192	0.97
50_T	84_I	1.192	0.97
33_L	38_I	1.186	0.96
6_L	88_A	1.155	0.96
84_I	110_G	1.150	0.96
39_L	99_R	1.105	0.95
13_V	85_V	1.095	0.95
14_K	84_I	1.067	0.94
45_D	90_F	1.061	0.94
28_I	59_A	1.029	0.92
6_L	41_N	1.007	0.92
93_M	97_E	0.995	0.91
39_L	98_A	0.989	0.91
94_P	97_E	0.977	0.90
31_D	34_D	0.974	0.90
49_V	74_A	0.963	0.90
15_V	79_A	0.960	0.90
69_I	85_V	0.960	0.90
12_R	84_I	0.959	0.90
5_M	39_L	0.945	0.89
23_E	47_W	0.938	0.89
16_T	68_I	0.936	0.88
23_E	107_Y	0.925	0.88
33_L	36_A	0.924	0.88
27_A	70_S	0.923	0.88
35_A	106_A	0.916	0.87
8_G	38_I	0.895	0.86
8_G	37_G	0.890	0.86
26_C	79_A	0.881	0.85
28_I	33_L	0.878	0.85
5_M	93_M	0.876	0.85
71_V	77_H	0.873	0.85
48_N	53_K	0.873	0.85
98_A	101_W	0.868	0.84
3_R	7_Q	0.852	0.83
3_R	98_A	0.841	0.82
33_L	61_A	0.840	0.82
7_Q	89_S	0.826	0.81
29_D	66_S	0.822	0.81
4_T	42_E	0.811	0.80
47_W	74_A	0.801	0.79
32_F	67_R	0.795	0.79
74_A	90_F	0.778	0.77
71_V	79_A	0.769	0.76
26_C	85_V	0.769	0.76
2_I	94_P	0.765	0.76
41_N	103_P	0.757	0.75
8_G	104_N	0.748	0.74
21_H	84_I	0.746	0.74
40_E	49_V	0.744	0.74
50_T	83_D	0.740	0.74
55_F	78_C	0.733	0.73
15_V	85_V	0.732	0.73
8_G	89_S	0.732	0.73
39_L	95_D	0.725	0.72
18_A	80_S	0.722	0.72
36_A	107_Y	0.712	0.71
78_C	81_V	0.708	0.70
31_D	35_A	0.702	0.70
62_A	68_I	0.699	0.69
77_H	83_D	0.692	0.69
17_H	68_I	0.675	0.67
95_D	99_R	0.658	0.65
37_G	95_D	0.656	0.64
55_F	71_V	0.654	0.64
20_L	77_H	0.654	0.64
74_A	86_I	0.653	0.64
46_I	56_S	0.647	0.63
31_D	67_R	0.646	0.63
7_Q	37_G	0.638	0.62
12_R	21_H	0.638	0.62
13_V	69_I	0.635	0.62
5_M	98_A	0.633	0.62
21_H	77_H	0.631	0.61
36_A	104_N	0.630	0.61
108_F	114_M	0.626	0.61
5_M	95_D	0.624	0.61
91_V	101_W	0.622	0.60
62_A	72_N	0.618	0.60
51_N	83_D	0.613	0.59
12_R	23_E	0.610	0.59
96_E	100_T	0.610	0.59
48_N	83_D	0.607	0.58
55_F	75_A	0.603	0.58
3_R	39_L	0.597	0.57
43_A	90_F	0.596	0.57
27_A	72_N	0.594	0.57
63_E	66_S	0.592	0.57
20_L	35_A	0.591	0.56
62_A	66_S	0.588	0.56
23_E	115_K	0.588	0.56
36_A	117_T	0.581	0.55
44_I	87_I	0.580	0.55
17_H	71_V	0.573	0.54
21_H	50_T	0.567	0.53
5_M	101_W	0.566	0.53
18_A	70_S	0.566	0.53
100_T	111_D	0.562	0.53
19_D	70_S	0.561	0.53
109_E	115_K	0.561	0.53
48_N	51_N	0.558	0.52
10_L	28_I	0.557	0.52
41_N	88_A	0.557	0.52
41_N	101_W	0.553	0.52
54_R	75_A	0.552	0.51
3_R	42_E	0.551	0.51
107_Y	116_R	0.549	0.51
51_N	90_F	0.548	0.51
42_E	45_D	0.547	0.51
3_R	91_V	0.546	0.51
8_G	106_A	0.545	0.51
7_Q	101_W	0.544	0.50
67_R	108_F	0.544	0.50
106_A	117_T	0.544	0.50
45_D	88_A	0.541	0.50
23_E	40_E	0.541	0.50
46_I	79_A	0.538	0.50
36_A	108_F	0.538	0.50
34_D	37_G	0.535	0.49
13_V	112_N	0.531	0.49
53_K	77_H	0.527	0.48
18_A	46_I	0.522	0.48
14_K	110_G	0.519	0.47
26_C	70_S	0.519	0.47
42_E	89_S	0.511	0.46
2_I	41_N	0.510	0.46
18_A	23_E	0.510	0.46
32_F	109_E	0.508	0.46
74_A	88_A	0.504	0.45
104_N	117_T	0.502	0.45
111_D	115_K	0.501	0.45
30_Q	63_E	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	0.9206	100	0.009	Contact Map
2c45A	3	0.8968	100	0.041	Contact Map
3ougA	5	0.8492	100	0.08	Contact Map
1vc3B	3	0.754	100	0.279	Contact Map
3plxB	3	0.7937	100	0.282	Contact Map
1uheA	5	0.7698	100	0.315	Contact Map
3plxA	3	0.1905	99	0.792	Contact Map
1vc3A	1	0.1905	99	0.792	Contact Map
1uheB	2	0.1905	99	0.792	Contact Map
1cz4A	1	0.9206	83.1	0.92	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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