HPPK - BACSU - GREMLIN Contacts

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HPPK - 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase

UniProt:	P29252	Sequences: MNNIAYIALGSNIGDRETYLRQAVALLHQHAAVTVTKVSSIYETDPVGYEDQAQFLNMAVEIKTSLNPFELLELTQQIENELGRTREVRWGPRTADLDILLFNRENIETEQLIVPHPRMYERLFVLAPLAEICQQVEKEATSAETDQEGVRVWKQKSGVDEFVHSES	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	167 (148)
Sequences:	4434 (3452)
Seq/√Len:	283.7

ECOLI - HPPK
BACSU - HPPK

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
40_S	131_E	3.975	1.00
118_R	121_E	2.834	1.00
39_S	58_M	2.687	1.00
7_I	97_L	2.585	1.00
73_E	111_Q	2.524	1.00
82_L	95_A	2.509	1.00
69_F	109_T	2.315	1.00
26_L	81_E	2.166	1.00
4_I	61_E	2.153	1.00
143_A	151_R	2.151	1.00
45_D	54_Q	2.112	1.00
75_T	97_L	2.089	1.00
16_R	43_E	2.015	1.00
43_E	54_Q	1.998	1.00
100_L	119_M	1.993	1.00
24_V	60_V	1.975	1.00
69_F	111_Q	1.931	1.00
42_Y	131_E	1.916	1.00
107_I	114_V	1.878	1.00
47_V	118_R	1.804	1.00
6_Y	61_E	1.795	1.00
4_I	63_K	1.782	1.00
11_S	16_R	1.769	1.00
30_H	74_L	1.712	1.00
76_Q	86_R	1.694	1.00
108_E	113_I	1.661	1.00
67_N	70_E	1.653	1.00
11_S	19_Y	1.642	1.00
9_L	20_L	1.624	1.00
30_H	33_V	1.620	1.00
49_Y	88_V	1.615	1.00
15_D	18_T	1.614	1.00
123_L	127_A	1.553	1.00
24_V	38_V	1.549	1.00
16_R	19_Y	1.510	1.00
41_I	56_L	1.503	1.00
5_A	62_I	1.477	1.00
26_L	82_L	1.433	1.00
37_K	61_E	1.410	1.00
101_L	136_V	1.406	1.00
77_Q	81_E	1.355	1.00
49_Y	55_F	1.351	1.00
74_L	77_Q	1.319	1.00
41_I	58_M	1.319	1.00
52_Q	92_P	1.310	1.00
17_E	21_R	1.306	1.00
18_T	22_Q	1.272	1.00
8_A	100_L	1.263	1.00
36_T	61_E	1.249	1.00
21_R	41_I	1.246	1.00
19_Y	82_L	1.238	1.00
138_K	141_T	1.237	1.00
48_G	90_W	1.211	1.00
36_T	63_K	1.205	1.00
7_I	75_T	1.195	1.00
64_T	102_F	1.192	1.00
22_Q	82_L	1.175	1.00
34_T	63_K	1.175	1.00
120_Y	141_T	1.162	1.00
88_V	91_G	1.154	1.00
6_Y	133_C	1.144	1.00
5_A	71_L	1.141	1.00
99_I	114_V	1.139	1.00
101_L	119_M	1.120	1.00
101_L	104_R	1.110	1.00
13_I	53_A	1.096	1.00
37_K	132_I	1.091	1.00
28_H	35_V	1.090	1.00
20_L	41_I	1.069	1.00
89_R	118_R	1.060	1.00
144_E	147_Q	1.059	1.00
86_R	94_T	1.058	1.00
52_Q	91_G	1.047	1.00
49_Y	90_W	1.042	1.00
16_R	56_L	1.023	1.00
22_Q	26_L	1.019	1.00
6_Y	101_L	1.010	1.00
8_A	58_M	1.009	1.00
27_L	60_V	1.009	1.00
35_V	62_I	0.989	1.00
146_D	150_V	0.968	1.00
7_I	62_I	0.965	1.00
82_L	94_T	0.962	1.00
38_V	60_V	0.958	1.00
8_A	125_V	0.957	1.00
119_M	125_V	0.956	1.00
133_C	136_V	0.951	1.00
6_Y	129_L	0.940	1.00
42_Y	127_A	0.937	1.00
5_A	102_F	0.930	1.00
6_Y	136_V	0.923	1.00
101_L	145_T	0.918	1.00
50_E	55_F	0.914	1.00
105_E	114_V	0.913	1.00
127_A	149_G	0.911	1.00
9_L	60_V	0.908	1.00
9_L	58_M	0.902	1.00
88_V	92_P	0.901	1.00
120_Y	148_E	0.892	1.00
72_L	76_Q	0.890	1.00
51_D	55_F	0.878	1.00
22_Q	25_A	0.872	1.00
141_T	148_E	0.868	1.00
68_P	105_E	0.867	1.00
101_L	114_V	0.864	1.00
33_V	62_I	0.863	1.00
26_L	29_Q	0.854	1.00
130_A	149_G	0.834	1.00
5_A	64_T	0.829	1.00
16_R	53_A	0.814	0.99
32_A	65_S	0.812	0.99
11_S	20_L	0.806	0.99
69_F	107_I	0.806	0.99
38_V	58_M	0.805	0.99
33_V	74_L	0.800	0.99
27_L	75_T	0.798	0.99
14_G	19_Y	0.791	0.99
20_L	58_M	0.786	0.99
6_Y	100_L	0.784	0.99
87_E	91_G	0.782	0.99
69_F	73_E	0.782	0.99
16_R	54_Q	0.780	0.99
66_L	74_L	0.775	0.99
17_E	56_L	0.772	0.99
61_E	132_I	0.771	0.99
26_L	78_I	0.763	0.99
76_Q	80_N	0.759	0.99
120_Y	138_K	0.758	0.99
106_N	139_E	0.750	0.99
125_V	128_P	0.748	0.99
19_Y	94_T	0.743	0.99
30_H	66_L	0.742	0.99
20_L	56_L	0.742	0.99
61_E	133_C	0.736	0.99
72_L	112_L	0.734	0.99
143_A	147_Q	0.726	0.99
59_A	100_L	0.719	0.99
71_L	102_F	0.711	0.99
17_E	41_I	0.708	0.99
21_R	25_A	0.704	0.99
59_A	129_L	0.702	0.99
46_P	54_Q	0.699	0.98
138_K	142_S	0.693	0.98
49_Y	52_Q	0.688	0.98
6_Y	59_A	0.681	0.98
85_T	88_V	0.678	0.98
25_A	29_Q	0.669	0.98
4_I	36_T	0.666	0.98
23_A	78_I	0.666	0.98
64_T	71_L	0.655	0.98
78_I	82_L	0.655	0.98
53_A	92_P	0.651	0.98
147_Q	150_V	0.647	0.97
130_A	145_T	0.647	0.97
130_A	146_D	0.641	0.97
66_L	70_E	0.636	0.97
113_I	117_P	0.635	0.97
80_N	86_R	0.634	0.97
43_E	56_L	0.634	0.97
20_L	24_V	0.629	0.97
127_A	131_E	0.628	0.97
62_I	71_L	0.626	0.97
42_Y	128_P	0.623	0.97
129_L	145_T	0.618	0.97
27_L	62_I	0.615	0.97
126_L	149_G	0.615	0.97
32_A	74_L	0.610	0.96
78_I	97_L	0.607	0.96
90_W	118_R	0.605	0.96
100_L	125_V	0.603	0.96
9_L	23_A	0.600	0.96
24_V	35_V	0.599	0.96
107_I	112_L	0.595	0.96
46_P	52_Q	0.591	0.96
70_E	73_E	0.591	0.96
59_A	125_V	0.591	0.96
21_R	38_V	0.590	0.96
126_L	148_E	0.590	0.96
116_H	122_R	0.590	0.96
137_E	144_E	0.589	0.96
7_I	99_I	0.589	0.96
35_V	38_V	0.588	0.96
47_V	123_L	0.578	0.95
51_D	92_P	0.576	0.95
48_G	52_Q	0.575	0.95
140_A	143_A	0.573	0.95
83_G	94_T	0.572	0.95
44_T	127_A	0.571	0.95
135_Q	146_D	0.568	0.95
45_D	123_L	0.562	0.94
130_A	144_E	0.561	0.94
101_L	129_L	0.559	0.94
87_E	90_W	0.558	0.94
136_V	145_T	0.558	0.94
74_L	78_I	0.555	0.94
75_T	99_I	0.555	0.94
77_Q	80_N	0.555	0.94
119_M	129_L	0.550	0.94
119_M	126_L	0.547	0.94
101_L	139_E	0.546	0.93
27_L	33_V	0.545	0.93
123_L	149_G	0.542	0.93
24_V	58_M	0.539	0.93
47_V	90_W	0.537	0.93
137_E	143_A	0.533	0.93
9_L	97_L	0.532	0.93
19_Y	95_A	0.532	0.93
109_T	113_I	0.529	0.92
28_H	38_V	0.527	0.92
76_Q	111_Q	0.527	0.92
33_V	71_L	0.524	0.92
47_V	121_E	0.521	0.92
66_L	102_F	0.520	0.92
6_Y	132_I	0.519	0.92
76_Q	87_E	0.515	0.91
55_F	92_P	0.512	0.91
35_V	60_V	0.512	0.91
68_P	102_F	0.512	0.91
76_Q	99_I	0.511	0.91
72_L	116_H	0.509	0.91
23_A	95_A	0.507	0.91
19_Y	53_A	0.500	0.90

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
2cg8A	4	0.8144	100	0.09	Contact Map
1cbkA	2	0.9581	100	0.095	Contact Map
4cwbA	1	0.9461	100	0.096	Contact Map
2qx0A	2	0.9461	100	0.098	Contact Map
2bmbA	1	0.9461	100	0.099	Contact Map
3ip0A	2	0.9401	100	0.105	Contact Map
4pzvA	1	0.9641	100	0.137	Contact Map
2rffA	1	0.6228	26.3	0.944	Contact Map
3v2iA	1	0.9162	17.4	0.949	Contact Map
1wlsA	2	0.5509	13.1	0.951	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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