WCAB - ECOLI - GREMLIN Contacts

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WCAB - Putative colanic acid biosynthesis acetyltransferase WcaB

UniProt:	P0ACC9	Sequences: MLEDLRANSWSLRPCCMVLAYRVAHFCSVWRKKNVLNNLWAAPLLVLYRIITECFFGYEIQAAATIGRRFTIHHGYAVVINKNVVAGDDFTIRHGVTIGNRGADNMACPHIGNGVELGANVIILGDITLGNNVTVGAGSVVLDSVPDNALVVGEKARVKVIK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13570
Length:	162 (137)
Sequences:	8163 (5242)
Seq/√Len:	447.8

ECOLI - WCAB CYSE WCAF WBBJ MAA THGA YRDA CAIE PAAY YAIX LPXD GLMU
BACSU - CYSE EPSM YVOF MAA DAPH YTOA GLMU
HALSA - Q9HPT3 Q9HQ06 Q9HNN1
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
114_G	132_N	3.295	1.00
132_N	148_N	3.178	1.00
112_G	131_N	3.116	1.00
69_R	89_D	3.078	1.00
78_V	84_V	2.823	1.00
113_N	131_N	2.711	1.00
68_R	88_D	2.652	1.00
65_T	85_V	2.596	1.00
131_N	147_D	2.453	1.00
112_G	128_T	2.384	1.00
145_V	151_V	2.372	1.00
98_I	109_P	2.298	1.00
152_V	159_K	2.292	1.00
151_V	156_A	2.265	1.00
136_G	152_V	2.246	1.00
124_L	137_A	2.186	1.00
110_H	128_T	1.984	1.00
89_D	114_G	1.960	1.00
75_G	95_G	1.901	1.00
133_V	149_A	1.823	1.00
66_I	70_F	1.782	1.00
111_I	117_L	1.697	1.00
67_G	88_D	1.630	1.00
149_A	158_V	1.627	1.00
133_V	147_D	1.619	1.00
133_V	145_V	1.595	1.00
37_N	41_A	1.593	1.00
151_V	158_V	1.544	1.00
87_G	113_N	1.534	1.00
127_I	144_S	1.511	1.00
38_N	42_A	1.502	1.00
117_L	121_V	1.470	1.00
99_G	119_A	1.465	1.00
70_F	88_D	1.389	1.00
128_T	144_S	1.383	1.00
88_D	113_N	1.348	1.00
117_L	123_I	1.345	1.00
131_N	148_N	1.329	1.00
45_L	65_T	1.326	1.00
139_S	156_A	1.312	1.00
146_P	149_A	1.286	1.00
122_I	138_G	1.245	1.00
92_I	96_V	1.238	1.00
98_I	111_I	1.237	1.00
85_V	110_H	1.230	1.00
46_V	50_I	1.206	1.00
146_P	158_V	1.173	1.00
35_V	38_N	1.155	1.00
72_I	76_Y	1.142	1.00
47_L	68_R	1.137	1.00
81_N	106_M	1.127	1.00
92_I	98_I	1.112	1.00
135_V	145_V	1.102	1.00
95_G	120_N	1.099	1.00
115_V	133_V	1.096	1.00
97_T	120_N	1.088	1.00
112_G	147_D	1.064	1.00
22_R	29_V	1.046	1.00
24_A	28_S	1.044	1.00
129_L	133_V	1.031	1.00
140_V	154_E	1.029	1.00
130_G	147_D	1.026	1.00
87_G	112_G	1.023	1.00
77_A	95_G	1.022	1.00
111_I	115_V	1.016	1.00
70_F	113_N	0.998	1.00
134_T	150_L	0.995	1.00
20_A	23_V	0.989	1.00
115_V	131_N	0.987	1.00
70_F	86_A	0.966	1.00
92_I	117_L	0.944	1.00
80_I	84_V	0.938	1.00
65_T	83_N	0.928	1.00
59_E	79_V	0.927	1.00
82_K	100_N	0.925	1.00
40_W	44_L	0.922	1.00
22_R	26_F	0.921	1.00
122_I	137_A	0.918	1.00
122_I	140_V	0.897	1.00
90_F	131_N	0.890	1.00
39_L	42_A	0.889	1.00
109_P	125_G	0.885	1.00
123_I	127_I	0.883	1.00
25_H	29_V	0.879	1.00
66_I	86_A	0.870	1.00
82_K	106_M	0.863	1.00
22_R	28_S	0.861	1.00
86_A	92_I	0.858	1.00
24_A	27_C	0.854	1.00
72_I	78_V	0.852	1.00
53_E	71_T	0.851	1.00
47_L	50_I	0.851	1.00
121_V	139_S	0.844	1.00
114_G	131_N	0.842	1.00
70_F	90_F	0.828	1.00
129_L	135_V	0.827	1.00
60_I	64_A	0.826	1.00
58_Y	75_G	0.826	1.00
25_H	28_S	0.818	1.00
21_Y	25_H	0.815	1.00
49_R	69_R	0.813	1.00
90_F	111_I	0.805	1.00
102_G	107_A	0.802	1.00
103_A	116_E	0.801	1.00
72_I	92_I	0.797	1.00
90_F	113_N	0.794	1.00
135_V	151_V	0.793	1.00
66_I	72_I	0.790	1.00
20_A	24_A	0.788	1.00
112_G	133_V	0.781	1.00
86_A	98_I	0.779	1.00
61_Q	64_A	0.778	1.00
97_T	119_A	0.772	1.00
120_N	138_G	0.768	1.00
57_G	77_A	0.759	1.00
139_S	154_E	0.756	1.00
146_P	151_V	0.750	1.00
96_V	121_V	0.736	1.00
36_L	40_W	0.731	1.00
43_P	47_L	0.728	1.00
57_G	74_H	0.722	1.00
74_H	77_A	0.719	1.00
86_A	111_I	0.717	1.00
135_V	141_V	0.716	1.00
152_V	156_A	0.707	1.00
106_M	110_H	0.706	1.00
23_V	26_F	0.701	1.00
94_H	99_G	0.696	1.00
94_H	100_N	0.696	1.00
115_V	147_D	0.691	1.00
109_P	127_I	0.689	1.00
112_G	130_G	0.688	1.00
73_H	93_R	0.685	1.00
97_T	122_I	0.682	1.00
129_L	145_V	0.678	1.00
138_G	154_E	0.676	1.00
108_C	126_D	0.674	1.00
79_V	97_T	0.667	1.00
89_D	113_N	0.664	1.00
23_V	27_C	0.658	1.00
55_F	58_Y	0.656	1.00
64_A	84_V	0.652	1.00
86_A	90_F	0.651	1.00
48_Y	51_I	0.651	1.00
44_L	48_Y	0.651	1.00
45_L	48_Y	0.648	1.00
69_R	88_D	0.639	0.99
124_L	142_L	0.636	0.99
41_A	44_L	0.635	0.99
149_A	152_V	0.635	0.99
94_H	119_A	0.634	0.99
102_G	125_G	0.625	0.99
129_L	151_V	0.625	0.99
81_N	100_N	0.622	0.99
74_H	81_N	0.619	0.99
58_Y	64_A	0.618	0.99
21_Y	41_A	0.617	0.99
22_R	27_C	0.608	0.99
21_Y	27_C	0.607	0.99
111_I	123_I	0.603	0.99
21_Y	24_A	0.602	0.99
83_N	108_C	0.601	0.99
46_V	49_R	0.601	0.99
119_A	122_I	0.601	0.99
141_V	153_G	0.598	0.99
59_E	81_N	0.597	0.99
153_G	156_A	0.596	0.99
77_A	97_T	0.585	0.99
130_G	146_P	0.584	0.99
141_V	156_A	0.581	0.99
38_N	41_A	0.581	0.99
59_E	77_A	0.575	0.99
98_I	123_I	0.569	0.99
36_L	43_P	0.568	0.99
107_A	126_D	0.567	0.99
116_E	134_T	0.565	0.99
127_I	143_D	0.564	0.99
136_G	150_L	0.560	0.99
152_V	157_R	0.558	0.99
81_N	99_G	0.557	0.99
28_S	50_I	0.555	0.98
23_V	28_S	0.555	0.98
43_P	46_V	0.548	0.98
145_V	149_A	0.547	0.98
90_F	115_V	0.541	0.98
20_A	46_V	0.541	0.98
87_G	90_F	0.533	0.98
145_V	156_A	0.532	0.98
122_I	154_E	0.531	0.98
106_M	119_A	0.530	0.98
139_S	153_G	0.529	0.98
24_A	29_V	0.528	0.98
96_V	106_M	0.523	0.98
61_Q	81_N	0.523	0.98
73_H	91_T	0.522	0.98
64_A	80_I	0.521	0.98
35_V	39_L	0.520	0.98
23_V	29_V	0.518	0.98
33_K	36_L	0.517	0.98
67_G	85_V	0.515	0.98
94_H	97_T	0.511	0.97
43_P	48_Y	0.504	0.97
36_L	51_I	0.504	0.97
35_V	40_W	0.501	0.97
20_A	29_V	0.501	0.97
26_F	34_N	0.500	0.97

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
4n6aA	3	0.963	100	0.295	Contact Map
3q1xA	3	0.9198	100	0.317	Contact Map
4h7oA	6	0.9815	100	0.32	Contact Map
3f1xA	6	0.9259	100	0.321	Contact Map
1ssqA	6	0.9815	100	0.333	Contact Map
3fttA	3	0.9938	100	0.337	Contact Map
3srtA	3	0.9815	100	0.343	Contact Map
3hjjA	3	0.9938	100	0.35	Contact Map
2p2oA	3	0.9815	100	0.351	Contact Map
1krrA	3	0.9815	100	0.353	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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