PABA - ECOLI - GREMLIN Contacts

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PABA - Aminodeoxychorismate synthase component 2

UniProt:	P00903	Sequences: MILLIDNYDSFTWNLYQYFCELGADVLVKRNDALTLADIDALKPQKIVISPGPCTPDEAGISLDVIRHYAGRLPILGVCLGHQAMAQAFGGKVVRAAKVMHGKTSPITHNGEGVFRGLANPLTVTRYHSLVVEPDSLPACFDVTAWSETREIMGIRHRQWDLEGVQFHPESILSEQGHQLLANFLHR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG10682
Length:	187 (173)
Sequences:	12041 (6663)
Seq/√Len:	506.5

ECOLI - PABA TRPGD GUAA CARA
BACSU - PABA GUAA CARX CARA
HALSA - GUAAA TRPG CARA Q9HMK6
SULSO - TRPG GUAAA CARA Q97X97

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
86_A	132_V	3.020	1.00
94_V	133_E	2.938	1.00
85_M	162_L	2.666	1.00
119_A	176_Q	2.501	1.00
92_K	133_E	2.372	1.00
142_D	156_R	2.281	1.00
22_L	182_A	2.260	1.00
144_T	156_R	2.254	1.00
86_A	155_I	2.240	1.00
19_F	48_V	2.232	1.00
35_T	38_D	2.222	1.00
21_E	178_H	2.217	1.00
57_D	87_Q	2.208	1.00
157_H	160_W	2.203	1.00
3_L	29_K	2.196	1.00
142_D	158_R	2.101	1.00
143_V	152_I	2.092	1.00
63_L	88_A	1.999	1.00
66_I	84_A	1.977	1.00
176_Q	179_Q	1.973	1.00
92_K	136_S	1.955	1.00
18_Y	178_H	1.891	1.00
4_L	16_Y	1.866	1.00
63_L	87_Q	1.850	1.00
145_A	154_G	1.821	1.00
82_H	164_G	1.712	1.00
157_H	161_D	1.707	1.00
133_E	136_S	1.702	1.00
7_N	49_I	1.674	1.00
29_K	34_L	1.667	1.00
27_L	42_L	1.641	1.00
112_E	156_R	1.628	1.00
94_V	131_V	1.604	1.00
38_D	41_A	1.577	1.00
140_C	159_Q	1.573	1.00
179_Q	182_A	1.544	1.00
40_D	68_H	1.453	1.00
155_I	164_G	1.436	1.00
101_H	129_S	1.423	1.00
143_V	146_W	1.420	1.00
15_L	78_V	1.390	1.00
40_D	72_R	1.389	1.00
132_V	155_I	1.374	1.00
156_R	163_E	1.364	1.00
4_L	48_V	1.359	1.00
85_M	164_G	1.343	1.00
49_I	62_S	1.333	1.00
97_A	151_E	1.332	1.00
8_Y	32_D	1.318	1.00
89_F	162_L	1.302	1.00
67_R	70_A	1.278	1.00
140_C	158_R	1.260	1.00
57_D	92_K	1.257	1.00
46_K	184_F	1.254	1.00
34_L	38_D	1.250	1.00
24_A	185_L	1.245	1.00
64_D	67_R	1.237	1.00
82_H	132_V	1.226	1.00
115_F	154_G	1.213	1.00
86_A	91_G	1.210	1.00
48_V	76_L	1.199	1.00
59_A	84_A	1.199	1.00
7_N	62_S	1.197	1.00
27_L	44_P	1.189	1.00
141_F	157_H	1.188	1.00
141_F	155_I	1.188	1.00
131_V	151_E	1.179	1.00
2_I	46_K	1.170	1.00
36_L	40_D	1.147	1.00
64_D	68_H	1.146	1.00
112_E	144_T	1.143	1.00
70_A	160_W	1.110	1.00
108_T	146_W	1.100	1.00
18_Y	21_E	1.079	1.00
15_L	181_L	1.078	1.00
47_I	65_V	1.062	1.00
110_N	146_W	1.058	1.00
96_A	131_V	1.044	1.00
37_A	41_A	1.032	1.00
137_L	143_V	1.030	1.00
110_N	142_D	1.030	1.00
93_V	132_V	1.018	1.00
22_L	181_L	1.015	1.00
140_C	157_H	1.009	1.00
67_R	88_A	1.008	1.00
16_Y	20_C	0.988	1.00
5_I	65_V	0.987	1.00
37_A	40_D	0.983	1.00
14_N	17_Q	0.981	1.00
37_A	68_H	0.981	1.00
49_I	75_I	0.979	1.00
158_R	161_D	0.976	1.00
86_A	138_P	0.975	1.00
72_R	160_W	0.974	1.00
3_L	39_I	0.974	1.00
146_W	150_R	0.956	1.00
76_L	165_V	0.954	1.00
34_L	42_L	0.953	1.00
40_D	71_G	0.952	1.00
113_G	156_R	0.950	1.00
89_F	141_F	0.947	1.00
79_C	168_H	0.946	1.00
91_G	138_P	0.944	1.00
3_L	42_L	0.942	1.00
2_I	24_A	0.942	1.00
119_A	175_E	0.940	1.00
70_A	162_L	0.934	1.00
82_H	155_I	0.933	1.00
54_C	58_E	0.927	1.00
22_L	178_H	0.924	1.00
55_T	58_E	0.916	1.00
47_I	73_L	0.914	1.00
95_R	99_V	0.914	1.00
118_L	176_Q	0.903	1.00
46_K	185_L	0.900	1.00
65_V	69_Y	0.892	1.00
109_H	146_W	0.890	1.00
4_L	11_F	0.889	1.00
65_V	68_H	0.889	1.00
147_S	151_E	0.880	1.00
78_V	165_V	0.879	1.00
137_L	152_I	0.876	1.00
34_L	39_I	0.875	1.00
20_C	26_V	0.873	1.00
17_Q	20_C	0.870	1.00
91_G	136_S	0.868	1.00
113_G	163_E	0.864	1.00
63_L	84_A	0.853	1.00
167_F	180_L	0.852	1.00
5_I	29_K	0.848	1.00
22_L	185_L	0.846	1.00
98_K	149_T	0.842	1.00
8_Y	30_R	0.834	1.00
29_K	38_D	0.830	1.00
145_A	167_F	0.824	1.00
115_F	167_F	0.822	1.00
59_A	63_L	0.820	1.00
69_Y	75_I	0.820	1.00
59_A	62_S	0.818	1.00
5_I	39_I	0.817	1.00
7_N	31_N	0.817	1.00
144_T	154_G	0.815	1.00
66_I	75_I	0.813	1.00
36_L	68_H	0.806	1.00
3_L	44_P	0.796	1.00
39_I	44_P	0.784	1.00
118_L	179_Q	0.766	1.00
165_V	169_P	0.760	1.00
156_R	183_N	0.760	1.00
29_K	42_L	0.760	1.00
57_D	63_L	0.759	1.00
19_F	181_L	0.759	1.00
71_G	160_W	0.758	1.00
105_S	148_E	0.758	1.00
36_L	65_V	0.758	1.00
114_V	163_E	0.756	1.00
163_E	184_F	0.756	1.00
110_N	144_T	0.753	1.00
19_F	24_A	0.753	1.00
4_L	19_F	0.752	1.00
55_T	130_L	0.743	1.00
40_D	73_L	0.741	1.00
63_L	67_R	0.740	1.00
57_D	93_V	0.737	1.00
19_F	185_L	0.732	1.00
107_I	146_W	0.730	1.00
13_W	16_Y	0.729	1.00
89_F	157_H	0.727	1.00
178_H	182_A	0.726	1.00
23_G	26_V	0.726	1.00
79_C	83_Q	0.723	1.00
69_Y	73_L	0.722	1.00
89_F	160_W	0.720	1.00
11_F	16_Y	0.719	1.00
112_E	142_D	0.715	1.00
31_N	60_G	0.714	1.00
126_R	153_M	0.712	1.00
144_T	163_E	0.711	1.00
116_R	177_G	0.710	1.00
24_A	46_K	0.710	1.00
12_T	28_V	0.709	1.00
6_D	12_T	0.709	1.00
118_L	180_L	0.694	1.00
55_T	95_R	0.693	1.00
61_I	65_V	0.689	1.00
116_R	179_Q	0.688	1.00
48_V	184_F	0.684	1.00
66_I	88_A	0.683	1.00
61_I	64_D	0.678	1.00
2_I	19_F	0.676	1.00
68_H	71_G	0.676	1.00
44_P	73_L	0.675	1.00
66_I	70_A	0.667	1.00
17_Q	21_E	0.661	1.00
108_T	148_E	0.659	1.00
55_T	87_Q	0.654	1.00
112_E	163_E	0.648	1.00
38_D	42_L	0.647	1.00
16_Y	28_V	0.646	1.00
14_N	18_Y	0.645	1.00
54_C	57_D	0.644	1.00
117_G	179_Q	0.644	1.00
87_Q	92_K	0.642	1.00
127_Y	130_L	0.642	1.00
47_I	75_I	0.641	1.00
91_G	132_V	0.639	1.00
100_M	147_S	0.639	1.00
157_H	162_L	0.635	1.00
43_K	73_L	0.631	1.00
12_T	50_S	0.629	1.00
62_S	84_A	0.626	1.00
99_V	129_S	0.621	1.00
4_L	12_T	0.621	1.00
18_Y	181_L	0.611	1.00
4_L	50_S	0.610	1.00
136_S	139_A	0.607	1.00
93_V	130_L	0.602	0.99
3_L	27_L	0.601	0.99
167_F	177_G	0.600	0.99
4_L	26_V	0.597	0.99
101_H	127_Y	0.596	0.99
52_G	80_L	0.593	0.99
76_L	180_L	0.583	0.99
46_K	76_L	0.582	0.99
5_I	34_L	0.581	0.99
117_G	183_N	0.576	0.99
110_N	156_R	0.575	0.99
165_V	180_L	0.574	0.99
75_I	85_M	0.572	0.99
70_A	89_F	0.568	0.99
111_G	183_N	0.568	0.99
109_H	112_E	0.555	0.99
49_I	66_I	0.555	0.99
64_D	69_Y	0.553	0.99
131_V	150_R	0.548	0.99
32_D	61_I	0.547	0.99
31_N	61_I	0.546	0.99
115_F	145_A	0.536	0.99
46_K	74_P	0.534	0.99
175_E	178_H	0.533	0.99
83_Q	166_Q	0.532	0.99
152_I	155_I	0.529	0.99
31_N	62_S	0.528	0.99
2_I	45_Q	0.528	0.99
109_H	113_G	0.528	0.99
39_I	65_V	0.528	0.99
131_V	149_T	0.524	0.99
51_P	79_C	0.519	0.98
96_A	99_V	0.519	0.98
60_G	63_L	0.518	0.98
68_H	72_R	0.518	0.98
7_N	84_A	0.515	0.98
94_V	151_E	0.509	0.98
3_L	34_L	0.509	0.98
84_A	88_A	0.509	0.98
111_G	156_R	0.507	0.98
76_L	163_E	0.504	0.98
55_T	93_V	0.503	0.98
64_D	84_A	0.500	0.98
182_A	185_L	0.500	0.98

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
3tqiA	3	0.9091	100	0.196	Contact Map
2ywbA	4	0.9626	100	0.205	Contact Map
1gpmA	3	0.984	100	0.21	Contact Map
2vxoA	2	0.9626	100	0.221	Contact Map
3uowA	2	0.9786	100	0.258	Contact Map
1a9xB	1	0.9519	100	0.281	Contact Map
1qdlB	2	0.9893	100	0.287	Contact Map
1i1qB	1	0.9519	100	0.299	Contact Map
3r75A	2	0.9519	100	0.301	Contact Map
2vpiA	1	0.9305	100	0.306	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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