HLY3 - BACSU - GREMLIN Contacts

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HLY3 - Hemolysin-3 homolog

UniProt:	P54175	Sequences: MFTIKEEIANAITHGIGVLLSIPALVFLIIFAANYGSAWDIVSFTIFGVSMLLLYLSSTLLHSITHKKTKDILEIIDHSAIYVLIAGTYTPFLLGPLKGTLGFTLLVIVWSLALGGIVFKIFFVKRFILLSTFVYLVMGWLMIIAVKPLYASLSGAGFSLLFLGGILYSVGTIFYIWKKIPFHHAIWHSFVLGGSAAMFFCVLFYCVKVPFLS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	213 (198)
Sequences:	3651 (2493)
Seq/√Len:	177.1

ECOLI - YQFA
BACSU - HLY3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
55_Y	195_S	4.111	1.00
167_L	197_A	3.443	1.00
167_L	193_G	2.906	1.00
92_F	201_C	2.888	1.00
50_S	87_G	2.797	1.00
17_G	192_L	2.781	1.00
140_W	169_S	2.670	1.00
25_L	48_G	2.624	1.00
18_V	52_L	2.568	1.00
167_L	194_G	2.507	1.00
18_V	56_L	2.470	1.00
136_L	169_S	2.394	1.00
189_S	193_G	2.388	1.00
107_V	111_S	2.326	1.00
38_A	42_V	2.289	1.00
11_A	63_S	2.246	1.00
159_S	163_L	2.216	1.00
155_G	159_S	2.164	1.00
45_T	49_V	2.117	1.00
72_I	76_I	2.062	1.00
100_T	104_T	2.033	1.00
90_T	110_W	2.016	1.00
120_K	131_S	1.911	1.00
136_L	172_T	1.907	1.00
26_V	30_I	1.872	1.00
50_S	83_V	1.823	1.00
160_L	197_A	1.816	1.00
103_F	107_V	1.804	1.00
180_I	183_H	1.801	1.00
104_T	108_I	1.775	1.00
51_M	195_S	1.770	1.00
160_L	200_F	1.768	1.00
7_E	10_N	1.750	1.00
177_W	180_I	1.739	1.00
196_A	200_F	1.688	1.00
57_S	76_I	1.682	1.00
9_A	185_A	1.681	1.00
83_V	117_I	1.657	1.00
103_F	106_L	1.649	1.00
41_I	45_T	1.643	1.00
172_T	187_W	1.625	1.00
15_G	59_T	1.515	1.00
175_Y	178_K	1.506	1.00
86_A	110_W	1.495	1.00
101_L	144_I	1.460	1.00
163_L	167_L	1.456	1.00
147_K	151_A	1.421	1.00
13_T	189_S	1.416	1.00
13_T	185_A	1.416	1.00
101_L	104_T	1.411	1.00
8_I	12_I	1.401	1.00
86_A	113_A	1.392	1.00
56_L	60_L	1.373	1.00
199_F	203_L	1.370	1.00
51_M	84_L	1.364	1.00
61_L	74_E	1.342	1.00
139_G	165_G	1.337	1.00
157_G	205_Y	1.333	1.00
31_F	203_L	1.331	1.00
24_A	199_F	1.327	1.00
104_T	107_V	1.319	1.00
193_G	197_A	1.310	1.00
162_F	166_I	1.308	1.00
93_L	105_L	1.307	1.00
163_L	197_A	1.303	1.00
166_I	170_V	1.284	1.00
112_L	138_M	1.283	1.00
43_S	94_L	1.260	1.00
25_L	52_L	1.240	1.00
39_W	98_K	1.215	1.00
21_S	51_M	1.199	1.00
52_L	56_L	1.199	1.00
40_D	95_G	1.197	1.00
145_A	148_P	1.190	1.00
42_V	45_T	1.189	1.00
98_K	102_G	1.187	1.00
27_F	31_F	1.180	1.00
200_F	204_F	1.175	1.00
161_L	201_C	1.166	1.00
79_S	117_I	1.143	1.00
158_F	162_F	1.104	1.00
79_S	121_I	1.086	1.00
24_A	28_L	1.084	1.00
101_L	148_P	1.075	1.00
105_L	145_A	1.070	1.00
57_S	80_A	1.058	1.00
62_H	184_H	1.056	1.00
173_I	177_W	1.056	1.00
29_I	45_T	1.043	1.00
54_L	84_L	1.041	1.00
37_S	40_D	1.039	1.00
50_S	84_L	1.037	1.00
99_G	102_G	1.032	0.99
47_F	51_M	1.029	0.99
128_I	183_H	1.025	0.99
92_F	202_V	1.020	0.99
156_A	159_S	1.008	0.99
118_V	122_F	1.002	0.99
69_T	72_I	0.999	0.99
64_I	69_T	0.986	0.99
19_L	23_P	0.985	0.99
96_P	153_L	0.983	0.99
10_N	13_T	0.983	0.99
167_L	190_F	0.980	0.99
33_A	41_I	0.979	0.99
109_V	138_M	0.976	0.99
74_E	124_V	0.964	0.99
39_W	94_L	0.964	0.99
88_T	164_G	0.957	0.99
9_A	13_T	0.955	0.99
12_I	16_I	0.949	0.99
78_H	175_Y	0.946	0.99
177_W	183_H	0.943	0.99
178_K	183_H	0.939	0.99
94_L	102_G	0.938	0.99
136_L	140_W	0.934	0.99
129_L	133_F	0.919	0.99
174_F	177_W	0.918	0.99
82_Y	116_G	0.891	0.98
123_F	127_F	0.887	0.98
108_I	141_L	0.884	0.98
179_K	182_F	0.883	0.98
29_I	33_A	0.883	0.98
128_I	178_K	0.883	0.98
46_I	90_T	0.881	0.98
32_A	44_F	0.880	0.98
85_I	168_Y	0.880	0.98
180_I	185_A	0.876	0.98
114_L	118_V	0.874	0.98
43_S	95_G	0.872	0.98
80_A	83_V	0.872	0.98
168_Y	195_S	0.870	0.98
112_L	134_V	0.858	0.98
64_I	73_L	0.846	0.98
132_T	187_W	0.845	0.98
27_F	203_L	0.843	0.98
142_M	145_A	0.828	0.98
168_Y	194_G	0.823	0.97
124_V	127_F	0.820	0.97
132_T	172_T	0.819	0.97
36_G	40_D	0.811	0.97
86_A	90_T	0.803	0.97
47_F	55_Y	0.800	0.97
66_H	69_T	0.800	0.97
93_L	97_L	0.791	0.97
156_A	205_Y	0.791	0.97
42_V	46_I	0.791	0.97
172_T	176_I	0.787	0.97
89_Y	109_V	0.782	0.97
44_F	202_V	0.781	0.97
113_A	138_M	0.772	0.96
187_W	198_M	0.770	0.96
39_W	43_S	0.769	0.96
11_A	59_T	0.765	0.96
88_T	168_Y	0.763	0.96
116_G	134_V	0.763	0.96
123_F	126_R	0.762	0.96
67_K	71_D	0.761	0.96
100_T	103_F	0.758	0.96
10_N	184_H	0.757	0.96
133_F	137_V	0.757	0.96
93_L	102_G	0.754	0.96
71_D	125_K	0.751	0.96
84_L	88_T	0.750	0.96
53_L	57_S	0.749	0.96
64_I	67_K	0.747	0.96
150_Y	155_G	0.746	0.95
105_L	148_P	0.741	0.95
160_L	201_C	0.739	0.95
10_N	62_H	0.739	0.95
72_I	75_I	0.737	0.95
111_S	115_G	0.734	0.95
13_T	192_L	0.730	0.95
60_L	73_L	0.729	0.95
143_I	146_V	0.726	0.95
200_F	203_L	0.723	0.95
25_L	45_T	0.723	0.95
38_A	41_I	0.718	0.94
150_Y	158_F	0.717	0.94
190_F	193_G	0.716	0.94
12_I	15_G	0.714	0.94
88_T	198_M	0.712	0.94
140_W	165_G	0.712	0.94
53_L	80_A	0.707	0.94
85_I	89_Y	0.700	0.94
105_L	141_L	0.699	0.94
195_S	198_M	0.697	0.94
169_S	173_I	0.695	0.93
101_L	145_A	0.690	0.93
18_V	22_I	0.685	0.93
8_I	15_G	0.684	0.93
186_I	190_F	0.682	0.93
11_A	15_G	0.679	0.93
22_I	26_V	0.670	0.92
191_V	194_G	0.666	0.92
33_A	38_A	0.665	0.92
7_E	184_H	0.665	0.92
84_L	195_S	0.662	0.92
90_T	106_L	0.661	0.92
72_I	121_I	0.660	0.92
122_F	125_K	0.656	0.91
181_P	185_A	0.654	0.91
23_P	27_F	0.651	0.91
30_I	33_A	0.645	0.91
147_K	150_Y	0.637	0.90
180_I	186_I	0.635	0.90
20_L	196_A	0.631	0.90
47_F	168_Y	0.630	0.90
184_H	188_H	0.627	0.89
93_L	142_M	0.625	0.89
96_P	152_S	0.623	0.89
112_L	141_L	0.622	0.89
182_F	185_A	0.621	0.89
37_S	98_K	0.617	0.89
99_G	104_T	0.617	0.89
131_S	135_Y	0.616	0.89
168_Y	171_G	0.609	0.88
150_Y	162_F	0.608	0.88
94_L	106_L	0.608	0.88
68_K	72_I	0.608	0.88
13_T	184_H	0.606	0.88
143_I	150_Y	0.605	0.88
23_P	26_V	0.601	0.87
40_D	43_S	0.600	0.87
109_V	141_L	0.599	0.87
50_S	132_T	0.598	0.87
132_T	176_I	0.598	0.87
29_I	41_I	0.596	0.87
119_F	130_L	0.595	0.87
174_F	182_F	0.591	0.86
174_F	187_W	0.591	0.86
170_V	190_F	0.590	0.86
142_M	146_V	0.589	0.86
18_V	59_T	0.588	0.86
71_D	75_I	0.588	0.86
38_A	49_V	0.587	0.86
27_F	199_F	0.586	0.86
79_S	83_V	0.585	0.86
74_E	78_H	0.584	0.86
22_I	52_L	0.582	0.86
128_I	132_T	0.581	0.85
128_I	176_I	0.581	0.85
58_S	62_H	0.580	0.85
157_G	201_C	0.578	0.85
183_H	186_I	0.576	0.85
91_P	202_V	0.573	0.85
179_K	183_H	0.573	0.85
10_N	183_H	0.572	0.85
47_F	195_S	0.572	0.85
120_K	182_F	0.571	0.85
93_L	109_V	0.570	0.84
170_V	173_I	0.569	0.84
136_L	139_G	0.569	0.84
165_G	169_S	0.568	0.84
59_T	63_S	0.565	0.84
7_E	13_T	0.564	0.84
122_F	145_A	0.559	0.83
60_L	63_S	0.557	0.83
163_L	166_I	0.556	0.83
142_M	149_L	0.555	0.83
12_I	88_T	0.555	0.83
51_M	168_Y	0.553	0.83
74_E	128_I	0.550	0.82
153_L	158_F	0.550	0.82
15_G	63_S	0.550	0.82
109_V	113_A	0.549	0.82
94_L	98_K	0.546	0.82
13_T	62_H	0.545	0.82
192_L	196_A	0.544	0.82
159_S	162_F	0.540	0.81
40_D	44_F	0.540	0.81
154_S	157_G	0.538	0.81
80_A	125_K	0.532	0.80
65_T	70_K	0.531	0.80
75_I	79_S	0.529	0.80
18_V	192_L	0.528	0.80
132_T	136_L	0.525	0.79
47_F	202_V	0.523	0.79
47_F	84_L	0.523	0.79
42_V	114_L	0.522	0.79
60_L	64_I	0.521	0.79
75_I	121_I	0.521	0.79
170_V	179_K	0.516	0.78
17_G	20_L	0.516	0.78
68_K	170_V	0.513	0.78
29_I	48_G	0.512	0.78
77_D	188_H	0.511	0.77
55_Y	135_Y	0.510	0.77
15_G	18_V	0.509	0.77
92_F	161_L	0.509	0.77
99_G	103_F	0.508	0.77
106_L	138_M	0.505	0.77
44_F	48_G	0.505	0.77
86_A	89_Y	0.505	0.77
45_T	48_G	0.503	0.76
148_P	151_A	0.501	0.76
51_M	55_Y	0.500	0.76

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
3wxwA	1	0.9812	100	0.172	Contact Map
4fbzA	3	0.3005	8.2	0.955	Contact Map
4qi1A	3	0.2911	4.2	0.961	Contact Map
3qapA	1	0.2817	3.7	0.962	Contact Map
1jr8A	2	0.1455	2.6	0.965	Contact Map
3am6A	3	0.2911	2.1	0.967	Contact Map
3ddlA	2	0.3099	1.8	0.968	Contact Map
1xioA	2	0.2629	1.7	0.968	Contact Map
4hyjA	2	0.3005	1.6	0.969	Contact Map
4l35A	3	0.2958	1.6	0.969	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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