WBBL - ECOLI - GREMLIN Contacts

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WBBL - Rhamnosyltransferase WbbL

UniProt:	P36667	Sequences: MVYIIIVSHGHEDYIKKLLENLNADDEHYKIIVRDNKDSLLLKQICQHYAGLDYISGGVYGFGHNNNIAVAYVKEKYRPADDDYILFLNPDIIMKHDDLLTYIKYVESKRYAFSTLCLFRDEAKSLHDYSVRKFPVLSDFIVSFMLGINKTKIPKESIYSDTVVDWCAGSFMLVRFSDFVRVNGFDQGYFMYCEDIDLCLRLSLAGVRLHYVPAFHAIHYAHHDNRSFFSKAFRWHLKSTFRYLARKRILSNRNFDRISSVFHP	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11986
Length:	264 (214)
Sequences:	40487 (34082)
Seq/√Len:	2329.8

ECOLI - WBBL YIBD WCAE WCAA PGAC YAIP GTRB ARNC
BACSU - GGAA CGED EPSJ EPSH GGAB EPSE SPSA TUAG YWDF YDAM YFNE YKOT YKCC CSBB TAGF SUNS
HALSA - Q9HQP4 Q9HQP8 Q9HSC8 Q9HNK3 Q9HQQ6 Q9HQP3 Q9HR08 Q9HSB1
SULSO - Q7LXF7 Q97TY0 Q97X05 Q97TZ0 Q97YM4 Q97UK7 Q7LXG6 Q7LXY2 Q97YG5 Q97W52 Q97WK7 Q97YN4

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
176_F	180_V	3.267	1.00
11_H	90_P	2.970	1.00
12_E	41_L	2.618	1.00
101_T	214_A	2.454	1.00
197_D	201_R	2.416	1.00
35_D	56_S	2.369	1.00
57_G	68_I	2.291	1.00
8_S	42_L	2.224	1.00
68_I	72_Y	2.179	1.00
25_D	100_L	2.141	1.00
3_Y	82_D	2.131	1.00
84_Y	106_V	2.046	1.00
43_K	56_S	2.031	1.00
30_K	53_D	2.023	1.00
95_K	218_I	1.998	1.00
43_K	47_Q	1.979	1.00
34_R	69_A	1.966	1.00
57_G	60_Y	1.953	1.00
17_K	220_Y	1.947	1.00
16_K	20_E	1.936	1.00
111_Y	210_H	1.867	1.00
5_I	69_A	1.852	1.00
10_G	39_S	1.838	1.00
66_N	89_N	1.810	1.00
178_D	207_V	1.801	1.00
60_Y	64_H	1.789	1.00
94_M	98_D	1.764	1.00
6_I	31_I	1.763	1.00
105_Y	212_V	1.726	1.00
41_L	44_Q	1.722	1.00
86_L	173_L	1.689	1.00
102_Y	173_L	1.689	1.00
47_Q	56_S	1.688	1.00
55_I	72_Y	1.685	1.00
16_K	49_Y	1.678	1.00
17_K	93_I	1.668	1.00
64_H	187_Q	1.660	1.00
3_Y	30_K	1.652	1.00
97_D	101_T	1.617	1.00
26_D	103_I	1.615	1.00
53_D	72_Y	1.596	1.00
35_D	38_D	1.590	1.00
6_I	18_L	1.587	1.00
98_D	102_Y	1.567	1.00
12_E	45_I	1.556	1.00
119_F	218_I	1.524	1.00
68_I	71_A	1.519	1.00
16_K	48_H	1.512	1.00
112_A	175_R	1.499	1.00
84_Y	173_L	1.499	1.00
20_E	49_Y	1.496	1.00
105_Y	210_H	1.489	1.00
33_V	46_C	1.473	1.00
57_G	64_H	1.461	1.00
112_A	207_V	1.457	1.00
30_K	82_D	1.451	1.00
43_K	54_Y	1.447	1.00
86_L	98_D	1.442	1.00
181_R	205_A	1.437	1.00
55_I	68_I	1.421	1.00
16_K	45_I	1.413	1.00
63_G	194_E	1.411	1.00
106_V	173_L	1.408	1.00
20_E	24_A	1.402	1.00
26_D	29_Y	1.396	1.00
93_I	218_I	1.390	1.00
8_S	33_V	1.384	1.00
9_H	59_V	1.380	1.00
113_F	209_L	1.374	1.00
177_S	181_R	1.369	1.00
88_L	94_M	1.368	1.00
100_L	104_K	1.364	1.00
86_L	99_L	1.361	1.00
21_N	94_M	1.341	1.00
101_T	104_K	1.319	1.00
186_D	197_D	1.316	1.00
62_F	66_N	1.309	1.00
105_Y	109_K	1.306	1.00
70_V	179_F	1.295	1.00
10_G	38_D	1.292	1.00
8_S	11_H	1.262	1.00
36_N	59_V	1.240	1.00
45_I	49_Y	1.225	1.00
85_I	176_F	1.217	1.00
57_G	65_N	1.194	1.00
172_M	199_C	1.193	1.00
66_N	87_F	1.186	1.00
181_R	207_V	1.183	1.00
2_V	99_L	1.170	1.00
178_D	202_L	1.168	1.00
8_S	90_P	1.162	1.00
97_D	100_L	1.158	1.00
83_D	175_R	1.154	1.00
3_Y	73_V	1.153	1.00
11_H	14_Y	1.152	1.00
2_V	103_I	1.151	1.00
73_V	176_F	1.144	1.00
177_S	180_V	1.143	1.00
73_V	82_D	1.130	1.00
34_R	65_N	1.121	1.00
106_V	114_S	1.120	1.00
70_V	87_F	1.119	1.00
93_I	220_Y	1.116	1.00
102_Y	116_L	1.111	1.00
18_L	88_L	1.087	1.00
62_F	194_E	1.082	1.00
117_C	211_Y	1.080	1.00
19_L	31_I	1.076	1.00
104_K	108_S	1.075	1.00
35_D	43_K	1.056	1.00
30_K	81_D	1.050	1.00
44_Q	47_Q	1.042	1.00
24_A	96_H	1.027	1.00
86_L	94_M	1.024	1.00
109_K	210_H	1.022	1.00
21_N	93_I	1.014	1.00
66_N	194_E	1.012	1.00
36_N	57_G	1.007	1.00
121_D	218_I	1.003	1.00
103_I	107_E	0.999	1.00
84_Y	103_I	0.996	1.00
25_D	97_D	0.995	1.00
70_V	85_I	0.995	1.00
93_I	121_D	0.993	1.00
122_E	126_L	0.985	1.00
175_R	178_D	0.972	1.00
101_T	212_V	0.963	1.00
118_L	170_S	0.962	1.00
113_F	202_L	0.958	1.00
7_V	65_N	0.953	1.00
222_H	225_N	0.945	1.00
179_F	198_L	0.943	1.00
105_Y	108_S	0.936	1.00
46_C	54_Y	0.930	1.00
20_E	23_N	0.927	1.00
71_A	183_N	0.926	1.00
31_I	52_L	0.925	1.00
23_N	51_G	0.923	1.00
121_D	125_S	0.915	1.00
23_N	49_Y	0.914	1.00
45_I	48_H	0.912	1.00
22_L	88_L	0.908	1.00
19_L	49_Y	0.904	1.00
53_D	81_D	0.903	1.00
98_D	116_L	0.896	1.00
102_Y	114_S	0.892	1.00
3_Y	32_I	0.892	1.00
105_Y	114_S	0.891	1.00
119_F	215_F	0.881	1.00
102_Y	106_V	0.880	1.00
62_F	169_G	0.874	1.00
36_N	65_N	0.867	1.00
41_L	45_I	0.860	1.00
112_A	208_R	0.855	1.00
44_Q	48_H	0.849	1.00
62_F	226_R	0.846	1.00
64_H	68_I	0.845	1.00
131_V	134_F	0.843	1.00
37_K	57_G	0.841	1.00
4_I	22_L	0.837	1.00
23_N	52_L	0.828	1.00
71_A	184_G	0.820	1.00
29_Y	99_L	0.815	1.00
179_F	184_G	0.814	1.00
182_V	205_A	0.807	1.00
63_G	67_N	0.807	1.00
101_T	105_Y	0.806	1.00
62_F	89_N	0.806	1.00
18_L	21_N	0.803	1.00
4_I	86_L	0.802	1.00
22_L	31_I	0.798	1.00
36_N	61_G	0.797	1.00
14_Y	220_Y	0.796	1.00
182_V	202_L	0.795	1.00
8_S	15_I	0.791	1.00
34_R	68_I	0.785	1.00
169_G	185_F	0.771	1.00
95_K	119_F	0.770	1.00
70_V	73_V	0.768	1.00
92_I	219_H	0.766	1.00
8_S	46_C	0.765	1.00
121_D	220_Y	0.764	1.00
198_L	202_L	0.759	1.00
106_V	111_Y	0.758	1.00
98_D	216_H	0.757	1.00
67_N	187_Q	0.751	1.00
163_V	208_R	0.747	1.00
17_K	20_E	0.744	1.00
112_A	178_D	0.743	1.00
83_D	177_S	0.738	1.00
22_L	94_M	0.737	1.00
7_V	90_P	0.737	1.00
60_Y	65_N	0.732	1.00
19_L	33_V	0.728	1.00
116_L	171_F	0.725	1.00
36_N	60_Y	0.721	1.00
95_K	216_H	0.715	1.00
32_I	69_A	0.706	1.00
29_Y	51_G	0.706	1.00
65_N	68_I	0.705	1.00
116_L	216_H	0.704	1.00
134_F	137_L	0.701	1.00
170_S	217_A	0.700	1.00
6_I	22_L	0.698	1.00
26_D	99_L	0.693	1.00
184_G	198_L	0.692	1.00
202_L	207_V	0.691	1.00
26_D	100_L	0.690	1.00
32_I	72_Y	0.689	1.00
19_L	23_N	0.689	1.00
87_F	185_F	0.687	1.00
178_D	182_V	0.687	1.00
105_Y	111_Y	0.685	1.00
174_V	199_C	0.681	1.00
47_Q	54_Y	0.680	1.00
103_I	173_L	0.680	1.00
25_D	96_H	0.673	1.00
120_R	221_A	0.672	1.00
95_K	98_D	0.668	1.00
12_E	16_K	0.667	1.00
67_N	185_F	0.666	1.00
98_D	171_F	0.665	1.00
15_I	45_I	0.662	1.00
60_Y	68_I	0.660	1.00
117_C	213_P	0.658	1.00
178_D	181_R	0.657	1.00
169_G	172_M	0.656	1.00
11_H	222_H	0.655	1.00
62_F	65_N	0.654	1.00
15_I	90_P	0.653	1.00
14_Y	222_H	0.652	1.00
43_K	46_C	0.652	1.00
9_H	36_N	0.649	1.00
109_K	208_R	0.648	1.00
94_M	99_L	0.644	1.00
225_N	228_F	0.644	1.00
122_E	125_S	0.641	1.00
104_K	107_E	0.639	1.00
115_T	211_Y	0.639	1.00
73_V	85_I	0.632	1.00
4_I	29_Y	0.631	1.00
212_V	215_F	0.629	1.00
174_V	198_L	0.626	1.00
2_V	173_L	0.626	1.00
18_L	22_L	0.625	1.00
4_I	99_L	0.625	1.00
139_D	142_V	0.622	1.00
7_V	36_N	0.622	1.00
53_D	56_S	0.621	1.00
32_I	73_V	0.621	1.00
160_S	163_V	0.615	1.00
89_N	194_E	0.614	1.00
12_E	15_I	0.611	1.00
25_D	29_Y	0.607	1.00
36_N	89_N	0.607	1.00
86_L	171_F	0.605	1.00
115_T	167_C	0.602	1.00
88_L	92_I	0.601	1.00
67_N	184_G	0.595	1.00
137_L	141_I	0.594	1.00
137_L	140_F	0.594	1.00
3_Y	81_D	0.593	1.00
34_R	57_G	0.593	1.00
106_V	175_R	0.592	1.00
232_A	236_H	0.591	1.00
32_I	53_D	0.590	1.00
167_C	199_C	0.588	1.00
37_K	59_V	0.586	1.00
186_D	201_R	0.583	1.00
101_T	216_H	0.579	1.00
132_R	135_P	0.578	1.00
112_A	206_G	0.578	1.00
171_F	217_A	0.574	1.00
138_S	141_I	0.573	1.00
111_Y	114_S	0.571	1.00
135_P	138_S	0.570	1.00
111_Y	175_R	0.569	1.00
180_V	183_N	0.568	1.00
67_N	71_A	0.565	1.00
161_D	164_V	0.565	1.00
203_S	209_L	0.564	1.00
12_E	40_L	0.562	1.00
84_Y	175_R	0.561	1.00
28_H	51_G	0.561	1.00
7_V	66_N	0.559	1.00
193_C	196_I	0.558	1.00
12_E	44_Q	0.556	1.00
92_I	217_A	0.556	1.00
186_D	189_Y	0.551	1.00
65_N	89_N	0.549	1.00
23_N	50_A	0.548	1.00
88_L	217_A	0.544	1.00
178_D	206_G	0.539	1.00
170_S	219_H	0.539	1.00
15_I	46_C	0.538	1.00
174_V	179_F	0.537	1.00
39_S	42_L	0.536	1.00
5_I	73_V	0.533	1.00
23_N	31_I	0.532	1.00
112_A	115_T	0.532	1.00
6_I	19_L	0.531	1.00
196_I	200_L	0.529	1.00
231_K	235_W	0.529	1.00
97_D	214_A	0.529	1.00
62_F	87_F	0.527	1.00
5_I	34_R	0.526	1.00
103_I	106_V	0.524	1.00
102_Y	105_Y	0.521	1.00
83_D	107_E	0.519	1.00
23_N	29_Y	0.515	1.00
70_V	184_G	0.513	1.00
73_V	81_D	0.512	1.00
30_K	73_V	0.510	1.00
8_S	35_D	0.508	1.00
94_M	217_A	0.508	1.00
18_L	91_D	0.507	1.00
110_R	175_R	0.506	1.00
135_P	139_D	0.503	1.00
9_H	37_K	0.502	1.00
124_K	127_H	0.501	1.00
111_Y	208_R	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
1xhbA	1	0.9242	100	0.261	Contact Map
5ajoA	1	0.9659	100	0.266	Contact Map
3bcvA	2	0.678	100	0.279	Contact Map
3l7iA	4	0	100	0.28	Contact Map
2d7iA	1	0.9659	100	0.287	Contact Map
1qg8A	1	0.8106	100	0.306	Contact Map
2z86A	2	0.8674	100	0.315	Contact Map
4fixA	3	0.9848	100	0.325	Contact Map
4p02A	1	0.9242	100	0.382	Contact Map
2bo4A	4	0.8902	100	0.409	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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