BLAC - BACSU - GREMLIN Contacts

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BLAC - Beta-lactamase

UniProt:	P39824	Sequences: MKLKTKASIKFGICVGLLCLSITGFTPFFNSTHAEAKSIEDTNMASCITNKKFVQLEKKFDARLGVYAIDIGSNKTIAYRPNERFAYASTYKVLAAAAVLKKNSIEKLNEVIHYSKDDLVTYSPITEKHLDTGMSLKEISEAAIRYSDNTAGNILLQQLGGPKGFEKSLKQIGDHVTKAKRFETDLNSAIPGDIRDTSTAKALATDLKAFTLDNTLTTDKRMILTDWMRGNATGDELIRAGAPIGWEVGDKSGAGSYGTRNDIAIVWPPNRAPIVVAILSNRFTKDANYDNALIAEAAKVVLNDLK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	306 (257)
Sequences:	3197 (2494)
Seq/√Len:	155.6

BACSU - BLAC

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
110_E	158_Q	4.179	1.00
78_A	81_P	3.036	1.00
204_A	277_A	2.766	1.00
80_R	83_E	2.759	1.00
65_G	85_F	2.618	1.00
104_S	217_T	2.557	1.00
67_Y	204_A	2.554	1.00
99_V	155_L	2.385	1.00
65_G	200_A	2.340	1.00
82_N	201_K	2.322	1.00
274_I	298_A	2.299	1.00
69_I	208_K	2.285	1.00
237_L	254_A	2.233	1.00
68_A	276_V	2.206	1.00
157_Q	182_F	2.158	1.00
111_V	133_G	2.155	1.00
95_A	152_G	2.153	1.00
96_A	140_S	2.064	1.00
104_S	220_K	2.031	1.00
96_A	224_L	2.014	1.00
226_D	230_G	1.991	1.00
229_R	247_E	1.980	1.00
237_L	260_R	1.933	1.00
137_K	223_I	1.907	1.00
200_A	279_L	1.892	1.00
203_L	279_L	1.881	1.00
204_A	275_V	1.859	1.00
96_A	144_I	1.857	1.00
99_V	140_S	1.846	1.00
98_A	102_K	1.837	1.00
177_T	198_S	1.834	1.00
278_I	294_I	1.807	1.00
299_K	303_N	1.804	1.00
90_T	279_L	1.796	1.00
141_E	145_R	1.742	1.00
70_D	73_S	1.741	1.00
118_D	157_Q	1.730	1.00
228_M	249_G	1.728	1.00
67_Y	201_K	1.724	1.00
217_T	220_K	1.714	1.00
93_V	263_I	1.713	1.00
101_K	105_I	1.705	1.00
63_R	281_N	1.688	1.00
59_K	296_E	1.685	1.00
113_H	133_G	1.679	1.00
145_R	230_G	1.672	1.00
96_A	143_A	1.642	1.00
56_L	293_L	1.621	1.00
120_V	123_S	1.591	1.00
263_I	277_A	1.580	1.00
98_A	168_S	1.558	1.00
250_D	262_D	1.552	1.00
81_P	201_K	1.551	1.00
207_L	263_I	1.540	1.00
101_K	168_S	1.498	1.00
216_L	221_R	1.496	1.00
238_I	298_A	1.477	1.00
64_L	280_S	1.452	1.00
99_V	136_L	1.450	1.00
147_S	251_K	1.448	1.00
166_E	170_K	1.407	1.00
139_I	151_A	1.388	1.00
139_I	155_L	1.386	1.00
98_A	159_L	1.380	1.00
93_V	207_L	1.374	1.00
92_K	147_S	1.367	1.00
103_N	106_E	1.365	1.00
201_K	205_T	1.354	1.00
103_N	108_L	1.353	1.00
238_I	278_I	1.351	1.00
50_N	54_V	1.342	1.00
168_S	172_I	1.340	1.00
95_A	156_L	1.335	1.00
85_F	200_A	1.328	1.00
89_S	147_S	1.327	1.00
70_D	271_R	1.318	1.00
63_R	83_E	1.317	1.00
266_V	274_I	1.309	1.00
95_A	143_A	1.306	1.00
94_L	169_L	1.298	1.00
60_F	293_L	1.290	1.00
203_L	263_I	1.289	1.00
223_I	226_D	1.280	1.00
276_V	298_A	1.275	1.00
138_E	141_E	1.257	1.00
182_F	185_D	1.241	1.00
229_R	249_G	1.241	1.00
225_T	229_R	1.234	1.00
90_T	203_L	1.231	1.00
100_L	223_I	1.227	1.00
107_K	110_E	1.227	1.00
90_T	261_N	1.224	1.00
267_W	273_P	1.223	1.00
92_K	149_N	1.223	1.00
111_V	135_S	1.215	1.00
237_L	252_S	1.209	1.00
250_D	264_A	1.203	1.00
167_K	171_Q	1.195	1.00
292_A	296_E	1.194	1.00
76_T	201_K	1.173	1.00
239_R	250_D	1.172	1.00
238_I	276_V	1.163	1.00
87_Y	198_S	1.159	1.00
90_T	263_I	1.158	1.00
242_A	248_V	1.158	1.00
89_S	92_K	1.154	1.00
174_D	177_T	1.153	1.00
223_I	227_W	1.145	1.00
260_R	291_N	1.142	1.00
92_K	251_K	1.141	1.00
100_L	224_L	1.140	1.00
169_L	177_T	1.139	1.00
86_A	281_N	1.138	1.00
136_L	155_L	1.136	1.00
93_V	228_M	1.131	1.00
109_N	137_K	1.130	1.00
156_L	182_F	1.129	1.00
52_K	55_Q	1.127	1.00
140_S	227_W	1.126	1.00
91_Y	156_L	1.116	1.00
135_S	138_E	1.105	0.99
94_L	97_A	1.101	0.99
93_V	144_I	1.093	0.99
168_S	171_Q	1.091	0.99
100_L	216_L	1.090	0.99
99_V	159_L	1.087	0.99
298_A	302_L	1.085	0.99
56_L	300_V	1.079	0.99
101_K	171_Q	1.071	0.99
238_I	264_A	1.070	0.99
84_R	197_T	1.067	0.99
174_D	202_A	1.066	0.99
205_T	209_A	1.062	0.99
176_V	199_T	1.056	0.99
136_L	139_I	1.054	0.99
222_M	226_D	1.047	0.99
123_S	127_E	1.045	0.99
266_V	276_V	1.041	0.99
156_L	179_A	1.038	0.99
141_E	230_G	1.038	0.99
62_A	293_L	1.036	0.99
72_G	273_P	1.035	0.99
114_Y	133_G	1.031	0.99
146_Y	232_A	1.026	0.99
177_T	202_A	1.025	0.99
114_Y	154_I	1.022	0.99
261_N	279_L	1.022	0.99
224_L	228_M	1.020	0.99
125_I	146_Y	1.015	0.99
67_Y	76_T	1.014	0.99
115_S	118_D	1.010	0.99
211_T	225_T	1.009	0.99
103_N	107_K	1.009	0.99
189_A	193_D	1.009	0.99
122_Y	126_T	0.989	0.99
213_D	221_R	0.985	0.99
78_A	201_K	0.984	0.99
95_A	155_L	0.982	0.99
89_S	251_K	0.972	0.99
229_R	267_W	0.964	0.99
94_L	206_D	0.946	0.98
88_A	255_G	0.946	0.98
209_A	214_N	0.940	0.98
207_L	265_I	0.940	0.98
66_V	278_I	0.934	0.98
91_Y	95_A	0.933	0.98
98_A	101_K	0.929	0.98
136_L	158_Q	0.925	0.98
176_V	202_A	0.915	0.98
91_Y	152_G	0.912	0.98
144_I	251_K	0.909	0.98
207_L	228_M	0.905	0.98
237_L	291_N	0.892	0.98
95_A	165_F	0.892	0.98
144_I	231_N	0.890	0.98
240_A	295_A	0.888	0.98
276_V	301_V	0.888	0.98
261_N	280_S	0.883	0.98
249_G	265_I	0.881	0.97
89_S	149_N	0.880	0.97
193_D	196_D	0.877	0.97
254_A	260_R	0.875	0.97
238_I	248_V	0.874	0.97
225_T	267_W	0.874	0.97
149_N	251_K	0.860	0.97
97_A	168_S	0.860	0.97
162_P	166_E	0.859	0.97
69_I	204_A	0.856	0.97
129_H	132_T	0.853	0.97
202_A	205_T	0.852	0.97
97_A	210_F	0.851	0.97
296_E	299_K	0.850	0.97
143_A	152_G	0.847	0.97
249_G	267_W	0.842	0.97
169_L	172_I	0.839	0.97
251_K	262_D	0.837	0.97
248_V	264_A	0.837	0.97
198_S	203_L	0.836	0.97
70_D	74_N	0.829	0.96
231_N	250_D	0.829	0.96
211_T	265_I	0.825	0.96
94_L	177_T	0.823	0.96
102_K	159_L	0.817	0.96
68_A	274_I	0.814	0.96
124_P	127_E	0.805	0.96
52_K	300_V	0.803	0.96
268_P	271_R	0.791	0.95
231_N	234_G	0.790	0.95
103_N	220_K	0.787	0.95
111_V	138_E	0.779	0.95
181_R	196_D	0.777	0.95
66_V	301_V	0.773	0.95
72_G	272_A	0.773	0.95
208_K	212_L	0.769	0.94
120_V	184_T	0.765	0.94
265_I	275_V	0.762	0.94
205_T	208_K	0.761	0.94
53_F	297_A	0.756	0.94
159_L	165_F	0.753	0.94
129_H	138_E	0.752	0.94
47_C	50_N	0.750	0.94
255_G	259_T	0.749	0.94
169_L	179_A	0.749	0.94
166_E	179_A	0.747	0.94
254_A	291_N	0.744	0.93
86_A	261_N	0.743	0.93
70_D	272_A	0.742	0.93
64_L	297_A	0.739	0.93
67_Y	81_P	0.739	0.93
119_L	130_L	0.739	0.93
164_G	167_K	0.737	0.93
212_L	275_V	0.732	0.93
231_N	252_S	0.730	0.93
54_V	79_Y	0.727	0.93
209_A	215_T	0.725	0.93
57_E	79_Y	0.721	0.92
238_I	294_I	0.719	0.92
126_T	134_M	0.718	0.92
55_Q	58_K	0.717	0.92
181_R	189_A	0.714	0.92
56_L	296_E	0.713	0.92
215_T	221_R	0.711	0.92
94_L	203_L	0.710	0.92
86_A	255_G	0.708	0.92
233_T	252_S	0.708	0.92
129_H	134_M	0.701	0.91
152_G	183_E	0.695	0.91
86_A	259_T	0.693	0.91
216_L	224_L	0.692	0.91
181_R	193_D	0.689	0.91
234_G	239_R	0.686	0.90
246_W	268_P	0.683	0.90
242_A	302_L	0.678	0.90
118_D	154_I	0.677	0.90
181_R	195_R	0.677	0.90
49_T	300_V	0.677	0.90
181_R	185_D	0.676	0.90
56_L	59_K	0.673	0.90
238_I	266_V	0.672	0.89
156_L	162_P	0.669	0.89
172_I	209_A	0.667	0.89
48_I	52_K	0.666	0.89
102_K	164_G	0.664	0.89
116_K	119_L	0.663	0.89
145_R	232_A	0.663	0.89
98_A	165_F	0.663	0.89
172_I	215_T	0.663	0.89
115_S	131_D	0.657	0.88
143_A	151_A	0.656	0.88
169_L	206_D	0.654	0.88
56_L	60_F	0.654	0.88
121_T	127_E	0.654	0.88
87_Y	91_Y	0.653	0.88
122_Y	146_Y	0.652	0.88
122_Y	125_I	0.647	0.88
134_M	139_I	0.645	0.87
60_F	296_E	0.644	0.87
165_F	169_L	0.643	0.87
54_V	58_K	0.642	0.87
225_T	249_G	0.642	0.87
60_F	280_S	0.641	0.87
163_K	167_K	0.640	0.87
50_N	77_I	0.640	0.87
101_K	104_S	0.639	0.87
214_N	221_R	0.638	0.87
68_A	77_I	0.636	0.87
154_I	158_Q	0.634	0.87
180_K	193_D	0.632	0.86
297_A	301_V	0.632	0.86
113_H	131_D	0.631	0.86
87_Y	179_A	0.631	0.86
43_N	46_S	0.631	0.86
202_A	206_D	0.630	0.86
142_A	146_Y	0.628	0.86
259_T	281_N	0.624	0.86
57_E	64_L	0.623	0.86
216_L	220_K	0.622	0.86
120_V	150_T	0.619	0.85
139_I	154_I	0.618	0.85
280_S	294_I	0.617	0.85
241_G	302_L	0.617	0.85
144_I	228_M	0.617	0.85
254_A	262_D	0.616	0.85
211_T	273_P	0.612	0.85
103_N	136_L	0.609	0.84
172_I	206_D	0.609	0.84
73_S	76_T	0.607	0.84
87_Y	261_N	0.604	0.84
114_Y	118_D	0.604	0.84
125_I	134_M	0.603	0.84
67_Y	200_A	0.601	0.84
45_A	50_N	0.599	0.83
211_T	267_W	0.599	0.83
262_D	265_I	0.598	0.83
290_D	294_I	0.597	0.83
96_A	99_V	0.597	0.83
49_T	301_V	0.596	0.83
126_T	142_A	0.595	0.83
100_L	108_L	0.595	0.83
69_I	76_T	0.590	0.82
92_K	253_G	0.588	0.82
70_D	75_K	0.587	0.82
123_S	126_T	0.587	0.82
124_P	128_K	0.586	0.82
241_G	295_A	0.586	0.82
149_N	253_G	0.585	0.82
163_K	244_I	0.584	0.82
51_K	55_Q	0.583	0.82
121_T	184_T	0.580	0.81
116_K	127_E	0.576	0.81
137_K	141_E	0.576	0.81
82_N	176_V	0.575	0.81
190_I	193_D	0.573	0.81
123_S	184_T	0.571	0.80
189_A	259_T	0.570	0.80
153_N	252_S	0.569	0.80
153_N	177_T	0.566	0.80
49_T	68_A	0.564	0.80
252_S	262_D	0.559	0.79
242_A	266_V	0.558	0.79
185_D	188_S	0.556	0.79
211_T	275_V	0.554	0.78
50_N	289_Y	0.550	0.78
233_T	261_N	0.546	0.77
43_N	48_I	0.545	0.77
89_S	253_G	0.544	0.77
287_A	291_N	0.540	0.77
168_S	215_T	0.539	0.76
57_E	297_A	0.537	0.76
125_I	142_A	0.536	0.76
141_E	146_Y	0.534	0.76
103_N	217_T	0.534	0.76
90_T	252_S	0.532	0.76
49_T	53_F	0.532	0.76
51_K	109_N	0.530	0.75
283_F	290_D	0.526	0.75
280_S	297_A	0.524	0.74
76_T	79_Y	0.523	0.74
114_Y	131_D	0.523	0.74
91_Y	183_E	0.522	0.74
234_G	252_S	0.522	0.74
291_N	295_A	0.522	0.74
290_D	293_L	0.520	0.74
160_G	164_G	0.520	0.74
220_K	224_L	0.520	0.74
177_T	206_D	0.519	0.74
234_G	250_D	0.518	0.74
93_V	203_L	0.516	0.73
298_A	301_V	0.515	0.73
280_S	290_D	0.513	0.73
119_L	124_P	0.510	0.72
48_I	51_K	0.509	0.72
141_E	227_W	0.509	0.72
71_I	275_V	0.507	0.72
189_A	281_N	0.507	0.72
183_E	187_N	0.506	0.72
88_A	259_T	0.505	0.72
180_K	197_T	0.505	0.72
287_A	290_D	0.505	0.72
229_R	232_A	0.504	0.72
266_V	302_L	0.503	0.71
226_D	229_R	0.502	0.71
122_Y	127_E	0.501	0.71
278_I	301_V	0.501	0.71
134_M	138_E	0.501	0.71
183_E	255_G	0.500	0.71

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
1w7fA	1	0.8333	100	0.387	Contact Map
3qhyA	1	0.8431	100	0.406	Contact Map
3dw0A	1	0.8366	100	0.411	Contact Map
3p09A	3	0.8301	100	0.415	Contact Map
3ny4A	1	0.8464	100	0.417	Contact Map
4m3kA	1	0.8431	100	0.423	Contact Map
3lezA	2	0.8431	100	0.426	Contact Map
1bueA	1	0.8497	100	0.429	Contact Map
1hzoA	1	0.8497	100	0.429	Contact Map
4zj1A	1	0.8497	100	0.43	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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