MNAT - ECOLI - GREMLIN Contacts

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MNAT - L-amino acid N-acyltransferase MnaT

UniProt:	P76112	Sequences: MSIRFARKADCAAIAEIYNHAVLYTAAIWNDQTVDADNRIAWFEARTLAGYPVLVSEENGVVTGYASFGDWRSFDGFRHTVEHSVYVHPDHQGKGLGRKLLSRLIDEARDCGKHVMVAGIESQNQASLHLHQSLGFVVTAQMPQVGTKFGRWLDLTFMQLQLDERTEPDAIG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13770
Length:	172 (158)
Sequences:	12879 (10040)
Seq/√Len:	798.8

ECOLI - MNAT RIML YHHY RIMJ ATDA RIMI YJGM PHNO YEDL YPEA YJAB YIAC YAFP
BACSU - YWNH YDAF YOKL YNAD YOAA PAIA YJCK RIMI YHFO YKKB YTMI YUAI YYAR YJDG YQJY YSNE YHDJ YESJ YBFA YDGE YYCN
HALSA - Q9HSL3 Q9HNJ3 Q9HRY5 Q9HMZ2 Q9HRY6 Q9HMI8 Q9HMF0 Q9HQD2 Q9HRK6
SULSO - Y209 Q7LXZ8

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
4_R	57_E	2.825	1.00
138_V	141_Q	2.723	1.00
98_R	133_S	2.718	1.00
105_I	136_F	2.306	1.00
66_A	104_L	2.294	1.00
132_Q	138_V	2.285	1.00
98_R	134_L	2.204	1.00
139_T	159_Q	2.149	1.00
118_A	131_H	2.136	1.00
4_R	10_D	2.120	1.00
141_Q	156_T	1.932	1.00
20_H	88_H	1.917	1.00
114_H	144_Q	1.908	1.00
105_I	160_L	1.902	1.00
68_F	108_A	1.857	1.00
138_V	156_T	1.857	1.00
147_T	152_W	1.821	1.00
129_H	132_Q	1.815	1.00
103_R	106_D	1.815	1.00
122_S	154_D	1.803	1.00
105_I	116_M	1.799	1.00
63_T	91_H	1.767	1.00
58_E	63_T	1.737	1.00
102_S	134_L	1.691	1.00
20_H	89_P	1.666	1.00
128_L	138_V	1.559	1.00
81_V	113_K	1.529	1.00
128_L	158_M	1.528	1.00
141_Q	154_D	1.509	1.00
8_K	44_E	1.498	1.00
13_A	16_E	1.497	1.00
12_A	36_A	1.495	1.00
114_H	152_W	1.488	1.00
36_A	40_I	1.473	1.00
6_A	14_I	1.465	1.00
122_S	156_T	1.460	1.00
128_L	132_Q	1.441	1.00
143_P	159_Q	1.388	1.00
98_R	102_S	1.385	1.00
108_A	116_M	1.371	1.00
61_V	88_H	1.363	1.00
55_V	62_V	1.354	1.00
88_H	91_H	1.353	1.00
83_H	101_L	1.353	1.00
101_L	134_L	1.351	1.00
13_A	62_V	1.348	1.00
115_V	159_Q	1.346	1.00
54_L	103_R	1.334	1.00
56_S	96_L	1.332	1.00
138_V	158_M	1.321	1.00
119_G	155_L	1.320	1.00
92_Q	126_A	1.315	1.00
109_R	160_L	1.311	1.00
137_V	143_P	1.291	1.00
8_K	40_I	1.284	1.00
107_E	110_D	1.267	1.00
106_D	110_D	1.254	1.00
66_A	100_L	1.248	1.00
91_H	94_K	1.247	1.00
103_R	107_E	1.246	1.00
127_S	131_H	1.244	1.00
58_E	94_K	1.236	1.00
35_D	38_N	1.226	1.00
87_V	96_L	1.216	1.00
120_I	131_H	1.214	1.00
142_M	157_F	1.209	1.00
57_E	60_G	1.202	1.00
145_V	155_L	1.198	1.00
58_E	91_H	1.198	1.00
99_K	103_R	1.188	1.00
128_L	156_T	1.180	1.00
64_G	87_V	1.174	1.00
107_E	111_C	1.158	1.00
61_V	90_D	1.156	1.00
122_S	141_Q	1.150	1.00
13_A	61_V	1.144	1.00
123_Q	153_L	1.141	1.00
15_A	36_A	1.138	1.00
17_I	62_V	1.131	1.00
144_Q	161_Q	1.126	1.00
115_V	161_Q	1.119	1.00
15_A	19_N	1.112	1.00
115_V	139_T	1.103	1.00
61_V	91_H	1.095	1.00
6_A	55_V	1.084	1.00
85_V	131_H	1.082	1.00
115_V	145_V	1.079	1.00
12_A	16_E	1.072	1.00
125_Q	129_H	1.072	1.00
39_R	42_W	1.057	1.00
87_V	97_G	1.038	1.00
120_I	128_L	1.029	1.00
118_A	127_S	1.028	1.00
80_T	117_V	1.020	1.00
96_L	99_K	1.011	1.00
139_T	143_P	1.011	1.00
11_C	43_F	1.006	1.00
130_L	134_L	1.002	1.00
5_F	107_E	1.001	1.00
68_F	104_L	0.998	1.00
114_H	147_T	0.997	1.00
89_P	92_Q	0.985	1.00
40_I	44_E	0.983	1.00
54_L	107_E	0.982	1.00
20_H	24_Y	0.977	1.00
144_Q	154_D	0.973	1.00
16_E	88_H	0.970	1.00
37_D	40_I	0.962	1.00
41_A	45_A	0.956	1.00
81_V	116_M	0.898	1.00
85_V	127_S	0.892	1.00
56_S	100_L	0.892	1.00
17_I	86_Y	0.889	1.00
19_N	23_L	0.882	1.00
142_M	145_V	0.874	1.00
118_A	158_M	0.874	1.00
125_Q	128_L	0.869	1.00
52_P	107_E	0.869	1.00
65_Y	86_Y	0.858	1.00
24_Y	89_P	0.857	1.00
121_E	153_L	0.856	1.00
57_E	62_V	0.852	1.00
105_I	134_L	0.851	1.00
16_E	20_H	0.840	1.00
93_G	126_A	0.820	1.00
120_I	158_M	0.820	1.00
82_E	119_G	0.809	1.00
21_A	25_T	0.807	1.00
54_L	57_E	0.800	1.00
11_C	15_A	0.793	1.00
67_S	84_S	0.790	1.00
17_I	88_H	0.789	1.00
95_G	98_R	0.785	1.00
19_N	34_V	0.782	1.00
20_H	90_D	0.779	1.00
143_P	154_D	0.768	1.00
58_E	61_V	0.766	1.00
63_T	96_L	0.761	1.00
83_H	116_M	0.759	1.00
39_R	43_F	0.753	1.00
8_K	11_C	0.749	1.00
119_G	142_M	0.739	1.00
15_A	39_R	0.739	1.00
22_V	25_T	0.736	1.00
26_A	153_L	0.724	1.00
11_C	36_A	0.717	1.00
132_Q	158_M	0.716	1.00
80_T	145_V	0.710	1.00
41_A	44_E	0.710	1.00
53_V	67_S	0.708	1.00
79_H	147_T	0.708	1.00
101_L	130_L	0.699	1.00
119_G	157_F	0.694	1.00
3_I	100_L	0.693	1.00
30_N	34_V	0.692	1.00
125_Q	132_Q	0.688	1.00
34_V	39_R	0.686	1.00
102_S	106_D	0.678	1.00
114_H	161_Q	0.670	1.00
129_H	133_S	0.668	1.00
13_A	88_H	0.655	1.00
85_V	101_L	0.655	1.00
105_I	109_R	0.653	1.00
16_E	61_V	0.651	1.00
28_I	31_D	0.648	1.00
75_D	78_R	0.643	1.00
10_D	57_E	0.642	1.00
18_Y	86_Y	0.641	1.00
81_V	108_A	0.640	1.00
120_I	127_S	0.637	1.00
79_H	152_W	0.636	1.00
23_L	26_A	0.635	1.00
85_V	104_L	0.631	1.00
22_V	89_P	0.629	1.00
22_V	26_A	0.627	1.00
134_L	160_L	0.626	1.00
124_N	127_S	0.623	1.00
3_I	99_K	0.622	1.00
13_A	17_I	0.621	1.00
143_P	161_Q	0.618	1.00
68_F	81_V	0.616	1.00
123_Q	151_R	0.615	1.00
108_A	113_K	0.609	1.00
93_G	129_H	0.605	1.00
148_K	151_R	0.605	1.00
126_A	129_H	0.599	1.00
37_D	41_A	0.598	1.00
136_F	160_L	0.595	1.00
20_H	23_L	0.594	1.00
43_F	47_T	0.592	1.00
82_E	117_V	0.590	1.00
147_T	151_R	0.589	1.00
83_H	118_A	0.586	1.00
101_L	131_H	0.586	1.00
101_L	118_A	0.581	1.00
49_A	52_P	0.581	1.00
11_C	40_I	0.580	1.00
85_V	97_G	0.577	1.00
56_S	63_T	0.573	1.00
122_S	153_L	0.571	1.00
144_Q	152_W	0.570	1.00
42_W	46_R	0.569	1.00
148_K	153_L	0.568	1.00
139_T	142_M	0.567	1.00
97_G	130_L	0.565	1.00
106_D	109_R	0.563	1.00
3_I	54_L	0.563	1.00
26_A	149_F	0.558	1.00
127_S	130_L	0.555	1.00
34_V	38_N	0.554	1.00
11_C	14_I	0.546	1.00
70_D	113_K	0.546	1.00
38_N	41_A	0.544	1.00
137_V	159_Q	0.544	1.00
35_D	39_R	0.542	1.00
80_T	115_V	0.541	1.00
39_R	47_T	0.540	1.00
146_G	155_L	0.537	1.00
53_V	56_S	0.535	1.00
56_S	64_G	0.534	1.00
20_H	92_Q	0.533	1.00
14_I	62_V	0.532	1.00
31_D	34_V	0.531	1.00
36_A	39_R	0.530	1.00
64_G	100_L	0.528	1.00
69_G	84_S	0.524	1.00
30_N	42_W	0.521	1.00
3_I	103_R	0.519	1.00
6_A	53_V	0.518	1.00
40_I	43_F	0.517	1.00
46_R	69_G	0.515	1.00
71_W	117_V	0.514	1.00
65_Y	84_S	0.514	1.00
117_V	145_V	0.510	1.00
99_K	102_S	0.510	1.00
117_V	142_M	0.502	1.00
147_T	150_G	0.500	1.00

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
2j8mA	2	0.9826	100	0.221	Contact Map
3dr6A	2	0.9942	100	0.229	Contact Map
4j3gA	2	0.9419	100	0.261	Contact Map
3pzjA	2	0.9535	99.9	0.302	Contact Map
3r9fA	1	0.9244	99.9	0.304	Contact Map
2jlmA	3	0.9942	99.9	0.305	Contact Map
1nslA	3	0.9419	99.9	0.306	Contact Map
1s7kA	2	0.843	99.9	0.307	Contact Map
4mbuA	2	0.9477	99.9	0.308	Contact Map
1vhsA	1	0.9477	99.9	0.308	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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