QUED - ECOLI - GREMLIN Contacts

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QUED - 6-carboxy-5,6,7,8-tetrahydropterin synthase

UniProt:	P65870	Sequences: MMSTTLFKDFTFEAAHRLPHVPEGHKCGRLHGHSFMVRLEITGEVDPHTGWIIDFAELKAAFKPTYERLDHHYLNDIPGLENPTSEVLAKWIWDQVKPVVPLLSAVMVKETCTAGCIYRGE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13120
Length:	121 (114)
Sequences:	2476 (1530)
Seq/√Len:	143.3

ECOLI - QUED
BACSU - QUED
HALSA - Q9HQS7 Q9HHN6
SULSO - Q97W30

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
13_E	34_S	3.268	1.00
43_G	52_I	2.928	1.00
107_M	117_I	2.559	1.00
9_D	36_M	2.541	1.00
105_A	119_R	2.495	1.00
5_T	42_T	2.428	1.00
90_K	94_D	2.426	1.00
68_R	95_Q	2.416	1.00
38_R	107_M	2.273	1.00
9_D	38_R	2.252	1.00
7_F	40_E	2.233	1.00
17_R	73_Y	2.219	1.00
42_T	104_S	2.180	1.00
105_A	117_I	2.168	1.00
69_L	91_W	2.009	1.00
30_L	73_Y	1.909	1.00
37_V	108_V	1.882	1.00
39_L	62_F	1.730	1.00
7_F	115_G	1.678	1.00
38_R	109_K	1.623	1.00
63_K	67_E	1.608	1.00
29_R	72_H	1.602	1.00
64_P	99_V	1.582	1.00
93_W	118_Y	1.573	1.00
21_V	25_H	1.547	1.00
40_E	105_A	1.541	1.00
5_T	40_E	1.533	1.00
26_K	56_A	1.509	1.00
69_L	92_I	1.505	1.00
87_V	90_K	1.498	1.00
5_T	104_S	1.457	1.00
89_A	106_V	1.445	1.00
41_I	58_L	1.388	1.00
12_F	37_V	1.387	1.00
41_I	53_I	1.378	1.00
5_T	117_I	1.311	1.00
7_F	107_M	1.302	1.00
90_K	118_Y	1.292	1.00
75_N	83_P	1.280	1.00
91_W	95_Q	1.268	1.00
10_F	59_K	1.259	1.00
39_L	96_V	1.256	1.00
10_F	62_F	1.244	1.00
34_S	112_C	1.205	1.00
15_A	73_Y	1.203	1.00
19_P	28_G	1.171	1.00
7_F	38_R	1.167	1.00
78_P	81_E	1.098	0.99
11_T	113_T	1.089	0.99
95_Q	98_P	1.073	0.99
35_F	85_S	1.064	0.99
54_D	57_E	1.054	0.99
40_E	107_M	1.010	0.99
43_G	46_D	1.008	0.99
7_F	117_I	0.975	0.98
27_C	110_E	0.969	0.98
4_T	90_K	0.963	0.98
89_A	116_C	0.961	0.98
10_F	66_Y	0.953	0.98
14_A	35_F	0.934	0.98
28_G	84_T	0.933	0.98
10_F	63_K	0.904	0.97
50_G	87_V	0.900	0.97
107_M	115_G	0.899	0.97
36_M	109_K	0.895	0.97
56_A	59_K	0.891	0.97
64_P	67_E	0.890	0.97
40_E	104_S	0.887	0.97
14_A	74_L	0.886	0.97
8_K	114_A	0.873	0.97
5_T	105_A	0.867	0.96
11_T	36_M	0.864	0.96
93_W	106_V	0.852	0.96
11_T	34_S	0.847	0.96
24_G	28_G	0.843	0.96
68_R	79_G	0.843	0.96
36_M	112_C	0.833	0.96
51_W	84_T	0.832	0.95
4_T	45_V	0.828	0.95
62_F	66_Y	0.826	0.95
17_R	28_G	0.814	0.95
72_H	76_D	0.802	0.94
65_T	68_R	0.791	0.94
20_H	49_T	0.779	0.94
85_S	110_E	0.776	0.93
15_A	30_L	0.774	0.93
5_T	119_R	0.772	0.93
109_K	115_G	0.772	0.93
72_H	77_I	0.769	0.93
34_S	109_K	0.767	0.93
12_F	108_V	0.757	0.93
57_E	60_A	0.755	0.93
69_L	79_G	0.751	0.92
69_L	88_L	0.736	0.92
6_L	115_G	0.734	0.91
88_L	92_I	0.726	0.91
97_K	101_P	0.722	0.91
4_T	46_D	0.715	0.90
8_K	113_T	0.713	0.90
11_T	112_C	0.709	0.90
61_A	99_V	0.706	0.90
21_V	24_G	0.704	0.90
108_V	116_C	0.704	0.90
104_S	119_R	0.703	0.90
17_R	30_L	0.700	0.89
13_E	112_C	0.700	0.89
55_F	114_A	0.699	0.89
92_I	96_V	0.697	0.89
94_D	97_K	0.693	0.89
55_F	59_K	0.692	0.89
56_A	60_A	0.688	0.89
92_I	106_V	0.684	0.88
46_D	49_T	0.682	0.88
60_A	64_P	0.680	0.88
6_L	58_L	0.677	0.88
68_R	72_H	0.676	0.88
59_K	63_K	0.675	0.88
73_Y	76_D	0.673	0.87
27_C	71_H	0.670	0.87
21_V	51_W	0.666	0.87
79_G	91_W	0.659	0.86
93_W	103_L	0.646	0.85
16_H	86_E	0.642	0.85
46_D	50_G	0.641	0.85
37_V	62_F	0.639	0.85
85_S	116_C	0.638	0.85
85_S	112_C	0.624	0.83
39_L	66_Y	0.614	0.82
93_W	97_K	0.609	0.82
45_V	90_K	0.606	0.81
92_I	108_V	0.599	0.81
79_G	82_N	0.596	0.80
25_H	51_W	0.593	0.80
77_I	80_L	0.593	0.80
65_T	92_I	0.592	0.80
31_H	110_E	0.591	0.80
12_F	74_L	0.584	0.79
9_D	112_C	0.582	0.79
53_I	61_A	0.582	0.79
90_K	93_W	0.580	0.79
8_K	111_T	0.578	0.78
53_I	57_E	0.572	0.78
85_S	88_L	0.572	0.78
29_R	76_D	0.571	0.77
63_K	66_Y	0.571	0.77
34_S	113_T	0.570	0.77
76_D	79_G	0.568	0.77
111_T	114_A	0.562	0.76
9_D	113_T	0.561	0.76
99_V	102_L	0.557	0.76
85_S	114_A	0.552	0.75
17_R	75_N	0.541	0.74
96_V	103_L	0.539	0.73
89_A	108_V	0.537	0.73
8_K	62_F	0.535	0.73
6_L	116_C	0.530	0.72
61_A	64_P	0.528	0.72
35_F	108_V	0.524	0.71
75_N	81_E	0.524	0.71
35_F	114_A	0.518	0.70
20_H	48_H	0.517	0.70
68_R	77_I	0.516	0.70
61_A	100_V	0.515	0.70
98_P	103_L	0.510	0.69
78_P	82_N	0.510	0.69
69_L	95_Q	0.509	0.69
27_C	86_E	0.509	0.69
77_I	81_E	0.508	0.69
15_A	111_T	0.506	0.69
17_R	84_T	0.503	0.68
98_P	101_P	0.500	0.68

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
4ntkA	4	1	100	0.094	Contact Map
2obaA	4	1	100	0.108	Contact Map
3d7jA	4	0.9917	100	0.131	Contact Map
1b66A	4	1	100	0.151	Contact Map
2g64A	4	1	100	0.16	Contact Map
3jygA	4	0.9669	100	0.182	Contact Map
2dj6A	3	0.9256	100	0.205	Contact Map
1y13A	5	0.9504	100	0.215	Contact Map
3lx3A	4	0.9669	100	0.217	Contact Map
1dhnA	4	0.8595	36	0.922	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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