MAA - BACSU - GREMLIN Contacts

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MAA - Probable maltose O-acetyltransferase

UniProt:	P37515	Sequences: MLRTEKEKMAAGELYNSEDQQLLLERKHARQLIRQYNETPEDDAVRTKLLKELLGSVGDQVTILPTFRCDYGYHIHIGDHTFVNFDCVILDVCEVRIGCHCLIAPGVHIYTAGHPLDPIERKSGKEFGKPVTIGDQVWIGGRAVINPGVTIGDNAVIASGSVVTKDVPANTVVGGNPARILKQL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	184 (155)
Sequences:	6468 (4645)
Seq/√Len:	373.1

ECOLI - THGA MAA WCAF WBBJ WCAB CAIE YRDA PAAY GLMU YAIX LPXD CYSE
BACSU - MAA YVOF EPSM DAPH CYSE YTOA GLMU
HALSA - Q9HNN1 Q9HQ06 Q9HPT3
SULSO - Q980E1

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
89_I	95_V	4.086	1.00
76_H	96_R	3.173	1.00
86_D	106_G	3.067	1.00
109_I	131_V	3.035	1.00
80_H	100_H	2.838	1.00
135_D	153_D	2.787	1.00
134_G	153_D	2.716	1.00
136_Q	154_N	2.578	1.00
79_D	99_C	2.565	1.00
132_T	150_T	2.314	1.00
146_N	159_S	2.280	1.00
78_G	99_C	2.256	1.00
56_S	76_H	2.240	1.00
25_E	73_Y	2.175	1.00
110_Y	141_G	2.109	1.00
42_D	45_V	1.923	1.00
111_T	130_P	1.913	1.00
34_R	38_E	1.872	1.00
139_I	145_I	1.826	1.00
58_G	79_D	1.819	1.00
134_G	150_T	1.761	1.00
81_T	101_C	1.732	1.00
60_Q	80_H	1.651	1.00
77_I	81_T	1.647	1.00
96_R	132_T	1.580	1.00
55_G	58_G	1.579	1.00
76_H	94_E	1.542	1.00
57_V	61_V	1.541	1.00
64_L	82_F	1.531	1.00
109_I	112_A	1.481	1.00
112_A	128_G	1.479	1.00
139_I	143_A	1.468	1.00
81_T	99_C	1.463	1.00
47_T	51_K	1.463	1.00
74_H	94_E	1.459	1.00
93_C	128_G	1.440	1.00
83_V	87_C	1.432	1.00
32_L	52_E	1.413	1.00
109_I	133_I	1.412	1.00
38_E	58_G	1.401	1.00
116_L	156_V	1.393	1.00
97_I	103_I	1.331	1.00
100_H	136_Q	1.329	1.00
103_I	109_I	1.322	1.00
54_L	63_I	1.321	1.00
28_H	32_L	1.286	1.00
56_S	77_I	1.252	1.00
75_I	89_I	1.246	1.00
35_Q	40_P	1.245	1.00
117_D	120_E	1.221	1.00
98_G	135_D	1.214	1.00
98_G	116_L	1.214	1.00
137_V	155_A	1.208	1.00
83_V	89_I	1.200	1.00
144_V	159_S	1.194	1.00
61_V	77_I	1.180	1.00
56_S	59_D	1.178	1.00
131_V	149_V	1.173	1.00
133_I	139_I	1.161	1.00
146_N	164_T	1.143	1.00
133_I	137_V	1.133	1.00
151_I	155_A	1.129	1.00
29_A	53_L	1.125	1.00
99_C	135_D	1.103	1.00
72_G	75_I	1.075	1.00
77_I	97_I	1.066	1.00
143_A	161_S	1.066	1.00
108_H	142_R	1.060	1.00
45_V	48_K	1.047	1.00
77_I	83_V	1.046	1.00
78_G	98_G	1.043	1.00
20_Q	24_L	1.027	1.00
31_Q	40_P	1.026	1.00
59_D	79_D	1.024	1.00
137_V	153_D	1.012	1.00
84_N	102_L	1.012	1.00
49_L	53_L	0.993	1.00
34_R	41_E	0.992	1.00
99_C	116_L	0.992	1.00
121_R	138_W	0.983	1.00
29_A	33_I	0.980	1.00
7_E	11_A	0.980	1.00
88_V	106_G	0.978	1.00
50_L	54_L	0.977	1.00
21_Q	25_E	0.961	1.00
14_L	127_F	0.959	1.00
96_R	113_G	0.956	1.00
103_I	107_V	0.952	1.00
34_R	40_P	0.932	1.00
69_C	75_I	0.932	1.00
47_T	67_F	0.928	1.00
60_Q	79_D	0.926	1.00
106_G	142_R	0.919	1.00
90_L	110_Y	0.914	1.00
116_L	135_D	0.912	1.00
108_H	141_G	0.895	1.00
84_N	90_L	0.894	1.00
105_P	124_G	0.887	1.00
40_P	58_G	0.886	1.00
97_I	101_C	0.882	1.00
100_H	117_D	0.878	1.00
61_V	81_T	0.875	1.00
54_L	57_V	0.862	1.00
158_A	161_S	0.860	1.00
118_P	153_D	0.855	1.00
136_Q	153_D	0.855	1.00
36_Y	50_L	0.849	1.00
82_F	102_L	0.837	1.00
115_P	135_D	0.825	1.00
31_Q	41_E	0.823	1.00
35_Q	45_V	0.817	1.00
137_V	152_G	0.815	1.00
113_G	129_K	0.813	1.00
103_I	139_I	0.811	1.00
35_Q	52_E	0.810	1.00
113_G	132_T	0.809	1.00
113_G	127_F	0.807	1.00
23_L	26_R	0.806	1.00
101_C	153_D	0.798	1.00
134_G	155_A	0.796	1.00
106_G	125_K	0.796	1.00
97_I	109_I	0.792	1.00
43_D	66_T	0.790	1.00
109_I	145_I	0.785	1.00
117_D	136_Q	0.778	1.00
81_T	98_G	0.771	1.00
145_I	151_I	0.760	1.00
83_V	103_I	0.760	1.00
151_I	157_I	0.760	1.00
40_P	55_G	0.757	1.00
78_G	116_L	0.754	1.00
7_E	14_L	0.754	1.00
39_T	42_D	0.750	1.00
81_T	97_I	0.750	1.00
78_G	81_T	0.739	1.00
36_Y	45_V	0.738	1.00
108_H	144_V	0.738	1.00
51_K	55_G	0.734	1.00
14_L	125_K	0.733	1.00
107_V	143_A	0.730	1.00
27_K	30_R	0.728	1.00
143_A	159_S	0.725	1.00
13_E	16_N	0.724	1.00
143_A	157_I	0.713	1.00
51_K	67_F	0.709	0.99
55_G	76_H	0.708	0.99
110_Y	129_K	0.705	0.99
81_T	135_D	0.701	0.99
22_L	26_R	0.697	0.99
134_G	152_G	0.697	0.99
36_Y	65_P	0.695	0.99
21_Q	24_L	0.692	0.99
48_K	52_E	0.691	0.99
150_T	153_D	0.690	0.99
68_R	86_D	0.686	0.99
133_I	145_I	0.684	0.99
46_R	50_L	0.683	0.99
32_L	53_L	0.678	0.99
51_K	57_V	0.674	0.99
97_I	133_I	0.671	0.99
78_G	101_C	0.666	0.99
113_G	116_L	0.664	0.99
32_L	49_L	0.661	0.99
118_P	137_V	0.657	0.99
39_T	62_T	0.652	0.99
118_P	121_R	0.652	0.99
44_A	47_T	0.652	0.99
63_I	83_V	0.652	0.99
161_S	164_T	0.646	0.99
28_H	52_E	0.645	0.99
58_G	61_V	0.645	0.99
39_T	45_V	0.632	0.99
75_I	95_V	0.632	0.99
98_G	101_C	0.632	0.99
125_K	142_R	0.631	0.99
88_V	108_H	0.629	0.99
68_R	85_F	0.627	0.99
30_R	33_I	0.623	0.99
127_F	142_R	0.620	0.99
67_F	75_I	0.618	0.99
27_K	31_Q	0.615	0.99
31_Q	34_R	0.613	0.99
128_G	131_V	0.609	0.98
46_R	49_L	0.607	0.98
22_L	25_E	0.604	0.98
64_L	85_F	0.603	0.98
36_Y	49_L	0.600	0.98
131_V	148_G	0.597	0.98
53_L	71_Y	0.596	0.98
72_G	90_L	0.588	0.98
32_L	35_Q	0.586	0.98
19_D	22_L	0.585	0.98
81_T	116_L	0.585	0.98
90_L	108_H	0.584	0.98
43_D	47_T	0.582	0.98
144_V	160_G	0.582	0.98
53_L	56_S	0.580	0.98
54_L	69_C	0.577	0.98
47_T	50_L	0.575	0.98
119_I	138_W	0.574	0.98
62_T	82_F	0.572	0.98
57_V	79_D	0.568	0.98
10_A	93_C	0.568	0.98
39_T	49_L	0.565	0.98
88_V	105_P	0.556	0.97
34_R	44_A	0.556	0.97
115_P	132_T	0.555	0.97
24_L	27_K	0.553	0.97
87_C	107_V	0.551	0.97
129_K	148_G	0.550	0.97
158_A	164_T	0.549	0.97
138_W	156_V	0.549	0.97
145_I	149_V	0.547	0.97
31_Q	35_Q	0.546	0.97
33_I	69_C	0.537	0.97
101_C	135_D	0.534	0.97
110_Y	144_V	0.530	0.96
86_D	108_H	0.530	0.96
149_V	165_K	0.529	0.96
25_E	28_H	0.528	0.96
130_P	148_G	0.523	0.96
118_P	154_N	0.521	0.96
94_E	130_P	0.520	0.96
38_E	41_E	0.520	0.96
144_V	162_V	0.520	0.96
94_E	111_T	0.516	0.96
87_C	103_I	0.515	0.96
30_R	64_L	0.509	0.95
15_Y	112_A	0.507	0.95
70_D	86_D	0.506	0.95
28_H	31_Q	0.504	0.95
141_G	144_V	0.500	0.95

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
3srtA	3	1	100	0.201	Contact Map
3hjjA	3	1	100	0.204	Contact Map
2p2oA	3	0.9891	100	0.207	Contact Map
1krrA	3	0.9946	100	0.209	Contact Map
3nz2A	4	0.9946	100	0.211	Contact Map
3fttA	3	0.9891	100	0.211	Contact Map
1ocxA	3	0.9837	100	0.24	Contact Map
2v0hA	3	0.9728	100	0.433	Contact Map
4g3qA	3	0.9891	100	0.433	Contact Map
3vbiA	3	0.7772	99.9	0.44	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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