YSAA - BACSU - GREMLIN Contacts

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YSAA - Putative uncharacterized hydrolase YsaA

UniProt:	P94512	Sequences: MKAVFFDLDDTLLWDEKSVRTTFAETCLQAEKKYGLAPEEFEAAVREAARELYMSYETYPYTVMIGINPFEGLWSNFSEPISEGFQKLNKIVPEYRRNAWTNGLKALGIDDPAYGEYLGEFFAAERRKRPFVYDETFAVLDQLKGKYELLLLTNGDPSLQKEKLAGVPELAPYFNEIVISGAFGKGKPDVSIFEHCLKLMNIEKDDAIMVGDNLNTDILGASRAGIKTVWINRTDKKNETDVKPDYIISSLHDLFPILEK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	260 (209)
Sequences:	1038 (863)
Seq/√Len:	59.7

ECOLI - YIGB GPH YJJG YIEH YRFG YNIC YFBT PGMB YQAB YIHX
BACSU - YSAA YFNB YHCW PPAX PGMB
HALSA - Q9HQE2 Q9HSS2 Q9HP74 Q9HMC4
SULSO - Q7LXL6 Q97ZU6 Q7LX46 Q97WT6 Q97YZ1 Q97X58

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
208_I	229_V	3.657	1.00
135_E	233_R	3.631	1.00
197_L	207_A	3.502	1.00
221_A	228_T	3.481	1.00
144_K	175_N	3.120	1.00
161_K	182_A	3.018	1.00
160_Q	163_K	3.016	1.00
249_S	253_D	2.664	1.00
148_E	175_N	2.655	1.00
197_L	226_I	2.615	1.00
133_Y	233_R	2.521	1.00
211_G	217_D	2.440	1.00
202_I	207_A	2.426	1.00
203_E	206_D	2.342	1.00
207_A	226_I	2.289	1.00
150_L	176_E	2.255	1.00
118_L	122_F	2.223	1.00
193_F	220_G	2.211	1.00
248_I	254_L	2.161	1.00
122_F	126_R	2.083	1.00
192_I	196_C	1.899	1.00
229_V	254_L	1.848	1.00
53_Y	56_Y	1.841	1.00
155_G	160_Q	1.746	0.99
190_V	194_E	1.745	0.99
178_V	196_C	1.729	0.99
140_L	149_L	1.710	0.99
154_N	217_D	1.673	0.99
135_E	138_A	1.647	0.99
254_L	258_L	1.627	0.99
150_L	200_M	1.621	0.99
133_Y	136_T	1.609	0.99
48_A	51_E	1.564	0.99
135_E	139_V	1.561	0.99
152_L	192_I	1.544	0.98
163_K	212_D	1.543	0.98
135_E	251_L	1.515	0.98
62_T	66_G	1.514	0.98
164_L	211_G	1.505	0.98
153_T	160_Q	1.503	0.98
155_G	159_L	1.476	0.98
248_I	253_D	1.472	0.98
150_L	196_C	1.467	0.98
180_S	211_G	1.441	0.97
141_D	173_Y	1.427	0.97
71_E	74_W	1.425	0.97
222_S	245_D	1.420	0.97
160_Q	186_G	1.419	0.97
138_A	141_D	1.394	0.97
115_G	122_F	1.393	0.97
152_L	209_M	1.393	0.97
195_H	199_L	1.366	0.97
91_I	94_E	1.338	0.96
218_I	228_T	1.326	0.96
157_P	182_A	1.310	0.96
94_E	98_N	1.308	0.96
178_V	195_H	1.301	0.95
92_V	96_R	1.296	0.95
155_G	163_K	1.296	0.95
160_Q	179_I	1.291	0.95
98_N	102_N	1.281	0.95
219_L	223_R	1.278	0.95
250_S	255_F	1.269	0.95
227_K	245_D	1.266	0.95
174_F	177_I	1.264	0.95
157_P	181_G	1.249	0.94
246_Y	257_I	1.247	0.94
149_L	174_F	1.245	0.94
119_G	126_R	1.237	0.94
210_V	229_V	1.236	0.94
51_E	54_M	1.235	0.94
178_V	192_I	1.229	0.94
180_S	192_I	1.219	0.93
232_N	247_I	1.207	0.93
183_F	192_I	1.192	0.93
154_N	188_P	1.170	0.92
135_E	232_N	1.164	0.92
193_F	221_A	1.155	0.91
145_G	203_E	1.148	0.91
221_A	226_I	1.142	0.91
53_Y	57_E	1.134	0.91
194_E	198_K	1.127	0.90
137_F	141_D	1.100	0.89
231_I	234_T	1.090	0.89
208_I	227_K	1.089	0.89
132_V	137_F	1.087	0.89
153_T	163_K	1.082	0.89
156_D	160_Q	1.080	0.88
97_R	116_E	1.079	0.88
176_E	199_L	1.078	0.88
151_L	179_I	1.077	0.88
221_A	224_A	1.072	0.88
85_F	88_L	1.070	0.88
153_T	186_G	1.065	0.88
185_K	191_S	1.041	0.87
119_G	123_A	1.040	0.87
226_I	233_R	1.039	0.86
154_N	230_W	1.034	0.86
140_L	174_F	1.032	0.86
231_I	248_I	1.030	0.86
155_G	179_I	1.024	0.86
135_E	250_S	1.016	0.85
180_S	220_G	1.014	0.85
52_L	55_S	1.013	0.85
66_G	70_F	1.006	0.85
155_G	193_F	0.997	0.84
185_K	189_D	0.997	0.84
138_A	252_H	0.993	0.84
96_R	163_K	0.986	0.83
61_Y	196_C	0.986	0.83
222_S	228_T	0.982	0.83
154_N	211_G	0.976	0.83
160_Q	230_W	0.974	0.83
213_N	220_G	0.972	0.83
151_L	174_F	0.970	0.82
155_G	230_W	0.970	0.82
193_F	209_M	0.968	0.82
115_G	119_G	0.965	0.82
202_I	206_D	0.963	0.82
183_F	195_H	0.961	0.82
209_M	221_A	0.959	0.82
49_A	53_Y	0.953	0.81
112_P	116_E	0.948	0.81
142_Q	145_G	0.944	0.81
154_N	210_V	0.934	0.80
74_W	78_S	0.927	0.79
72_G	76_N	0.925	0.79
117_Y	124_A	0.919	0.79
77_F	81_I	0.919	0.79
157_P	161_K	0.919	0.79
114_Y	118_L	0.916	0.79
70_F	74_W	0.913	0.78
139_V	255_F	0.912	0.78
218_I	230_W	0.910	0.78
71_E	75_S	0.909	0.78
178_V	199_L	0.906	0.78
186_G	211_G	0.903	0.78
190_V	223_R	0.902	0.78
132_V	170_L	0.898	0.77
164_L	174_F	0.896	0.77
195_H	198_K	0.895	0.77
187_K	217_D	0.892	0.77
101_T	115_G	0.874	0.75
142_Q	255_F	0.873	0.75
96_R	158_S	0.872	0.75
140_L	154_N	0.872	0.75
88_L	99_A	0.870	0.75
92_V	100_W	0.870	0.75
84_G	87_K	0.868	0.75
113_A	201_N	0.866	0.75
179_I	220_G	0.864	0.74
139_V	210_V	0.864	0.74
179_I	183_F	0.855	0.74
66_G	69_P	0.855	0.74
159_L	209_M	0.846	0.73
118_L	123_A	0.839	0.72
213_N	216_T	0.833	0.72
160_Q	209_M	0.826	0.71
248_I	255_F	0.819	0.70
232_N	235_D	0.810	0.70
96_R	160_Q	0.808	0.69
147_Y	258_L	0.807	0.69
165_A	171_A	0.806	0.69
190_V	198_K	0.803	0.69
112_P	194_E	0.802	0.69
155_G	181_G	0.800	0.69
96_R	100_W	0.795	0.68
140_L	170_L	0.783	0.67
71_E	82_S	0.782	0.67
100_W	122_F	0.776	0.66
163_K	230_W	0.776	0.66
130_P	153_T	0.774	0.66
73_L	77_F	0.774	0.66
240_T	243_K	0.770	0.66
128_K	132_V	0.767	0.65
105_K	110_D	0.763	0.65
155_G	209_M	0.762	0.65
218_I	229_V	0.758	0.64
49_A	52_L	0.757	0.64
133_Y	232_N	0.754	0.64
209_M	217_D	0.749	0.64
136_T	251_L	0.748	0.63
190_V	196_C	0.748	0.63
181_G	186_G	0.743	0.63
84_G	89_N	0.742	0.63
115_G	118_L	0.742	0.63
52_L	57_E	0.739	0.63
94_E	97_R	0.739	0.63
78_S	82_S	0.736	0.62
190_V	224_A	0.735	0.62
153_T	212_D	0.730	0.62
154_N	186_G	0.729	0.61
208_I	245_D	0.728	0.61
130_P	155_G	0.727	0.61
50_R	54_M	0.724	0.61
252_H	255_F	0.724	0.61
152_L	211_G	0.719	0.60
51_E	199_L	0.717	0.60
67_I	71_E	0.707	0.59
93_P	143_L	0.706	0.59
112_P	115_G	0.704	0.59
88_L	226_I	0.703	0.59
153_T	222_S	0.692	0.57
217_D	220_G	0.690	0.57
68_N	229_V	0.690	0.57
96_R	212_D	0.688	0.57
135_E	152_L	0.687	0.57
102_N	105_K	0.685	0.57
75_S	214_L	0.685	0.57
164_L	212_D	0.681	0.56
165_A	234_T	0.679	0.56
54_M	63_V	0.679	0.56
218_I	246_Y	0.677	0.56
108_G	145_G	0.676	0.56
90_K	94_E	0.676	0.56
209_M	216_T	0.676	0.56
211_G	220_G	0.675	0.56
142_Q	258_L	0.669	0.55
69_P	72_G	0.669	0.55
154_N	220_G	0.665	0.54
139_V	143_L	0.662	0.54
196_C	199_L	0.661	0.54
131_F	134_D	0.659	0.54
243_K	247_I	0.659	0.54
65_I	68_N	0.658	0.54
136_T	175_N	0.654	0.53
100_W	126_R	0.654	0.53
48_A	53_Y	0.649	0.53
186_G	212_D	0.648	0.53
171_A	174_F	0.643	0.52
165_A	253_D	0.642	0.52
141_D	198_K	0.642	0.52
113_A	141_D	0.639	0.52
149_L	206_D	0.639	0.52
212_D	230_W	0.639	0.52
136_T	220_G	0.631	0.51
241_D	252_H	0.631	0.51
156_D	212_D	0.630	0.51
197_L	204_K	0.628	0.50
177_I	207_A	0.617	0.49
154_N	180_S	0.616	0.49
114_Y	124_A	0.616	0.49
138_A	250_S	0.615	0.49
49_A	57_E	0.615	0.49
130_P	156_D	0.613	0.49
119_G	124_A	0.611	0.48
162_E	166_G	0.611	0.48
51_E	55_S	0.608	0.48
238_N	242_V	0.605	0.48
159_L	174_F	0.601	0.47
233_R	236_K	0.601	0.47
247_I	253_D	0.599	0.47
130_P	139_V	0.598	0.47
143_L	210_V	0.597	0.47
153_T	234_T	0.595	0.47
97_R	112_P	0.593	0.46
125_E	128_K	0.592	0.46
121_F	125_E	0.592	0.46
185_K	192_I	0.591	0.46
139_V	233_R	0.588	0.46
82_S	85_F	0.586	0.46
227_K	246_Y	0.586	0.46
153_T	218_I	0.585	0.46
122_F	127_R	0.584	0.45
131_F	139_V	0.579	0.45
54_M	84_G	0.578	0.45
156_D	179_I	0.578	0.45
100_W	159_L	0.574	0.44
135_E	231_I	0.572	0.44
153_T	179_I	0.565	0.43
100_W	153_T	0.562	0.43
66_G	75_S	0.561	0.43
181_G	216_T	0.559	0.43
160_Q	164_L	0.558	0.43
165_A	182_A	0.558	0.43
80_P	84_G	0.554	0.42
98_N	101_T	0.554	0.42
67_I	75_S	0.551	0.42
182_A	252_H	0.551	0.42
142_Q	146_K	0.550	0.42
181_G	213_N	0.548	0.41
165_A	252_H	0.547	0.41
133_Y	213_N	0.546	0.41
76_N	106_A	0.545	0.41
156_D	163_K	0.544	0.41
249_S	252_H	0.543	0.41
159_L	163_K	0.540	0.41
149_L	175_N	0.538	0.40
156_D	209_M	0.535	0.40
105_K	190_V	0.534	0.40
115_G	204_K	0.532	0.40
163_K	179_I	0.531	0.40
153_T	229_V	0.530	0.40
76_N	80_P	0.530	0.40
80_P	105_K	0.528	0.39
201_N	243_K	0.528	0.39
182_A	201_N	0.527	0.39
117_Y	223_R	0.524	0.39
188_P	217_D	0.523	0.39
214_L	219_L	0.523	0.39
90_K	121_F	0.523	0.39
220_G	224_A	0.521	0.39
249_S	256_P	0.518	0.38
75_S	82_S	0.514	0.38
208_I	220_G	0.510	0.37
70_F	73_L	0.506	0.37
209_M	213_N	0.506	0.37
143_L	254_L	0.506	0.37
121_F	124_A	0.505	0.37
120_E	123_A	0.504	0.37
94_E	171_A	0.503	0.37
186_G	233_R	0.503	0.37
176_E	200_M	0.502	0.37
48_A	52_L	0.500	0.36

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
3qnmA	1	0.8808	100	0.39	Contact Map
3ed5A	1	0.8654	100	0.395	Contact Map
3k1zA	1	0.8885	100	0.416	Contact Map
3umgA	2	0.8731	100	0.42	Contact Map
3u26A	1	0.8731	100	0.421	Contact Map
4uw9A	1	0.8154	100	0.422	Contact Map
3smvA	1	0.8462	100	0.422	Contact Map
2om6A	2	0.8615	100	0.423	Contact Map
3umcA	2	0.8615	100	0.426	Contact Map
3vayA	2	0.8615	100	0.427	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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