CGEE - BACSU - GREMLIN Contacts

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CGEE - Uncharacterized N-acetyltransferase CgeE

UniProt:	P42093	Sequences: MTGHYSKTEHQYILLTSESASFDHYSVYRDPQLPQIFSHNFVQLHDTFPLERLLNFLPSVPKLLDANYLHLKASPQHVFPLGLKQSLVKSGFVVEDELLYDMKLSDWKGQMGHPLTAWGTAKSLSDGSSIMKIYDSIYIGEAIAEQKLKRKYPFYEADIIILVVCYSDQAQKVPIGCGELFIDHQEKTAKIEEVAILDQFQRKGYGSILVKEMLSIAKSLGMEAAYLVAASTDGATQFYEKLTFKKYERVHTVFHYFLT	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	259 (227)
Sequences:	104 (95)
Seq/√Len:	6.3

BACSU - CGEE

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
210_V	244_F	4.819	0.98
210_V	242_L	3.665	0.91
21_S	45_H	3.326	0.86
26_S	45_H	3.132	0.83
44_L	56_F	2.949	0.79
209_L	213_M	2.647	0.70
24_H	91_G	2.553	0.67
124_L	191_I	2.174	0.54
79_F	130_I	2.157	0.54
22_F	25_Y	2.098	0.51
21_S	225_A	2.082	0.51
120_T	203_K	2.039	0.49
79_F	94_V	2.021	0.49
194_V	206_G	2.003	0.48
30_D	33_L	1.998	0.48
64_L	100_Y	1.953	0.46
233_D	241_K	1.939	0.46
95_E	193_E	1.891	0.44
36_I	39_H	1.868	0.43
48_F	192_E	1.865	0.43
53_L	98_L	1.864	0.43
104_L	107_W	1.861	0.43
78_V	249_R	1.846	0.42
48_F	190_K	1.820	0.41
73_A	210_V	1.813	0.41
104_L	214_L	1.803	0.41
21_S	26_S	1.795	0.41
167_S	203_K	1.792	0.40
113_H	116_T	1.788	0.40
115_L	124_L	1.782	0.40
30_D	143_I	1.750	0.39
100_Y	233_D	1.749	0.39
38_S	72_K	1.745	0.39
164_V	171_Q	1.742	0.39
41_F	209_L	1.701	0.37
190_K	226_Y	1.695	0.37
49_P	87_L	1.673	0.36
135_D	194_V	1.596	0.34
27_V	60_V	1.586	0.33
230_A	233_D	1.555	0.32
70_H	188_T	1.552	0.32
248_E	255_H	1.549	0.32
165_C	192_E	1.537	0.32
126_D	166_Y	1.534	0.32
50_L	106_D	1.529	0.32
107_W	214_L	1.521	0.31
64_L	231_S	1.513	0.31
70_H	119_G	1.497	0.31
192_E	226_Y	1.489	0.30
57_L	92_F	1.446	0.29
192_E	205_Y	1.436	0.29
36_I	143_I	1.422	0.28
201_Q	224_A	1.411	0.28
48_F	73_A	1.408	0.28
127_G	192_E	1.394	0.28
73_A	244_F	1.381	0.27
71_L	189_A	1.380	0.27
210_V	226_Y	1.373	0.27
87_L	124_L	1.370	0.27
140_G	210_V	1.350	0.26
131_M	193_E	1.341	0.26
214_L	225_A	1.337	0.26
236_T	254_F	1.334	0.26
126_D	236_T	1.334	0.26
201_Q	206_G	1.316	0.25
229_A	233_D	1.309	0.25
190_K	205_Y	1.289	0.25
127_G	190_K	1.288	0.25
153_P	225_A	1.276	0.24
105_S	116_T	1.274	0.24
20_A	25_Y	1.267	0.24
117_A	207_S	1.266	0.24
116_T	136_S	1.266	0.24
132_K	136_S	1.264	0.24
130_I	174_P	1.233	0.23
131_M	177_C	1.229	0.23
70_H	174_P	1.229	0.23
226_Y	244_F	1.222	0.23
163_V	202_R	1.220	0.23
102_M	174_P	1.217	0.23
25_Y	53_L	1.211	0.23
45_H	207_S	1.200	0.22
194_V	238_F	1.192	0.22
85_Q	171_Q	1.188	0.22
29_R	68_Y	1.185	0.22
98_L	119_G	1.184	0.22
194_V	209_L	1.179	0.22
80_P	112_G	1.178	0.22
34_P	146_Q	1.174	0.22
79_F	127_G	1.166	0.21
60_V	217_A	1.161	0.21
102_M	181_F	1.150	0.21
83_L	94_V	1.149	0.21
194_V	235_A	1.147	0.21
140_G	236_T	1.147	0.21
110_Q	146_Q	1.143	0.21
198_D	202_R	1.141	0.21
124_L	130_I	1.113	0.20
19_S	114_P	1.112	0.20
44_L	107_W	1.111	0.20
25_Y	124_L	1.107	0.20
126_D	199_Q	1.095	0.20
27_V	198_D	1.093	0.20
51_E	170_A	1.085	0.20
200_F	219_S	1.078	0.19
39_H	248_E	1.078	0.19
190_K	244_F	1.076	0.19
51_E	168_D	1.075	0.19
49_P	237_Q	1.069	0.19
44_L	244_F	1.065	0.19
202_R	241_K	1.056	0.19
234_G	237_Q	1.049	0.19
227_L	239_Y	1.040	0.19
142_A	153_P	1.039	0.18
101_D	157_A	1.029	0.18
34_P	188_T	1.029	0.18
190_K	210_V	1.028	0.18
131_M	147_K	1.026	0.18
48_F	205_Y	1.019	0.18
40_N	238_F	1.013	0.18
134_Y	195_A	1.003	0.18
192_E	244_F	0.998	0.18
165_C	190_K	0.981	0.17
126_D	157_A	0.977	0.17
38_S	53_L	0.976	0.17
177_C	193_E	0.971	0.17
83_L	158_D	0.965	0.17
125_S	152_Y	0.961	0.17
192_E	213_M	0.957	0.17
140_G	196_I	0.957	0.17
100_Y	241_K	0.957	0.17
140_G	244_F	0.954	0.17
41_F	57_L	0.947	0.17
70_H	102_M	0.946	0.17
105_S	175_I	0.942	0.16
43_Q	209_L	0.938	0.16
28_Y	42_V	0.936	0.16
72_K	127_G	0.932	0.16
140_G	242_L	0.931	0.16
26_S	37_F	0.928	0.16
64_L	70_H	0.928	0.16
197_L	215_S	0.927	0.16
75_P	127_G	0.921	0.16
176_G	189_A	0.913	0.16
174_P	187_K	0.908	0.16
67_N	193_E	0.905	0.16
111_M	200_F	0.905	0.16
117_A	178_G	0.902	0.16
179_E	231_S	0.902	0.16
54_L	143_I	0.899	0.16
50_L	86_S	0.892	0.15
89_K	161_I	0.890	0.15
162_L	235_A	0.881	0.15
161_I	198_D	0.879	0.15
192_E	229_A	0.877	0.15
246_K	249_R	0.875	0.15
68_Y	252_T	0.871	0.15
55_N	158_D	0.868	0.15
28_Y	255_H	0.867	0.15
171_Q	203_K	0.866	0.15
40_N	239_Y	0.863	0.15
91_G	203_K	0.861	0.15
143_I	254_F	0.861	0.15
23_D	168_D	0.859	0.15
174_P	201_Q	0.857	0.15
44_L	210_V	0.855	0.15
64_L	251_H	0.847	0.15
42_V	245_K	0.844	0.15
82_G	105_S	0.843	0.15
100_Y	246_K	0.841	0.15
134_Y	177_C	0.840	0.15
21_S	49_P	0.836	0.14
116_T	165_C	0.836	0.14
163_V	231_S	0.835	0.14
44_L	214_L	0.832	0.14
52_R	245_K	0.828	0.14
234_G	238_F	0.828	0.14
61_P	139_I	0.827	0.14
38_S	70_H	0.821	0.14
42_V	60_V	0.818	0.14
41_F	70_H	0.812	0.14
234_G	250_V	0.808	0.14
151_K	206_G	0.808	0.14
147_K	252_T	0.808	0.14
48_F	165_C	0.806	0.14
189_A	203_K	0.806	0.14
161_I	170_A	0.801	0.14
227_L	238_F	0.801	0.14
63_L	235_A	0.797	0.14
63_L	99_L	0.791	0.14
21_S	234_G	0.790	0.14
85_Q	89_K	0.789	0.14
50_L	68_Y	0.788	0.14
149_K	168_D	0.781	0.13
32_Q	248_E	0.780	0.13
127_G	196_I	0.777	0.13
23_D	197_L	0.774	0.13
29_R	162_L	0.774	0.13
84_K	202_R	0.770	0.13
27_V	147_K	0.769	0.13
126_D	164_V	0.769	0.13
41_F	44_L	0.766	0.13
209_L	236_T	0.766	0.13
243_T	254_F	0.764	0.13
79_F	129_S	0.763	0.13
48_F	127_G	0.757	0.13
135_D	170_A	0.757	0.13
36_I	126_D	0.757	0.13
120_T	189_A	0.753	0.13
57_L	248_E	0.749	0.13
119_G	242_L	0.746	0.13
170_A	245_K	0.744	0.13
73_A	178_G	0.744	0.13
165_C	205_Y	0.740	0.13
80_P	209_L	0.740	0.13
176_G	239_Y	0.738	0.13
178_G	209_L	0.734	0.13
193_E	235_A	0.733	0.13
44_L	68_Y	0.731	0.13
54_L	129_S	0.729	0.13
92_F	135_D	0.729	0.13
159_I	200_F	0.728	0.13
80_P	245_K	0.725	0.13
46_D	49_P	0.722	0.13
60_V	114_P	0.721	0.12
133_I	186_E	0.720	0.12
75_P	132_K	0.719	0.12
128_S	140_G	0.712	0.12
71_L	171_Q	0.709	0.12
98_L	244_F	0.708	0.12
82_G	114_P	0.703	0.12
181_F	190_K	0.701	0.12
67_N	233_D	0.698	0.12
149_K	171_Q	0.694	0.12
230_A	234_G	0.693	0.12
91_G	108_K	0.691	0.12
93_V	171_Q	0.691	0.12
39_H	144_A	0.691	0.12
48_F	210_V	0.674	0.12
93_V	232_T	0.672	0.12
44_L	92_F	0.669	0.12
232_T	253_V	0.668	0.12
171_Q	254_F	0.667	0.12
124_L	201_Q	0.667	0.12
74_S	254_F	0.659	0.12
65_D	89_K	0.657	0.12
65_D	191_I	0.656	0.11
132_K	144_A	0.655	0.11
163_V	219_S	0.651	0.11
26_S	197_L	0.646	0.11
123_S	228_V	0.645	0.11
59_S	209_L	0.645	0.11
190_K	213_M	0.644	0.11
116_T	203_K	0.643	0.11
47_T	143_I	0.638	0.11
210_V	238_F	0.634	0.11
60_V	64_L	0.633	0.11
44_L	139_I	0.632	0.11
176_G	204_G	0.631	0.11
99_L	230_A	0.627	0.11
89_K	160_I	0.626	0.11
194_V	204_G	0.626	0.11
153_P	240_E	0.626	0.11
127_G	226_Y	0.625	0.11
64_L	73_A	0.624	0.11
90_S	121_A	0.624	0.11
92_F	107_W	0.624	0.11
98_L	191_I	0.619	0.11
198_D	225_A	0.616	0.11
114_P	237_Q	0.612	0.11
98_L	210_V	0.612	0.11
54_L	171_Q	0.608	0.11
109_G	158_D	0.600	0.11
45_H	92_F	0.599	0.11
53_L	60_V	0.599	0.11
73_A	190_K	0.599	0.11
160_I	179_E	0.598	0.11
70_H	231_S	0.598	0.11
25_Y	147_K	0.593	0.11
38_S	54_L	0.592	0.11
165_C	229_A	0.592	0.11
26_S	236_T	0.590	0.11
72_K	228_V	0.590	0.11
139_I	168_D	0.586	0.10
56_F	243_T	0.585	0.10
158_D	163_V	0.585	0.10
198_D	201_Q	0.583	0.10
207_S	218_K	0.581	0.10
58_P	136_S	0.580	0.10
86_S	127_G	0.580	0.10
35_Q	193_E	0.577	0.10
56_F	139_I	0.575	0.10
192_E	210_V	0.575	0.10
83_L	109_G	0.574	0.10
190_K	238_F	0.570	0.10
56_F	92_F	0.568	0.10
93_V	109_G	0.568	0.10
91_G	228_V	0.566	0.10
114_P	244_F	0.566	0.10
25_Y	228_V	0.565	0.10
25_Y	191_I	0.565	0.10
19_S	79_F	0.564	0.10
104_L	211_K	0.563	0.10
21_S	107_W	0.560	0.10
201_Q	219_S	0.560	0.10
206_G	228_V	0.559	0.10
167_S	187_K	0.559	0.10
145_E	203_K	0.558	0.10
100_Y	249_R	0.558	0.10
41_F	194_V	0.555	0.10
28_Y	211_K	0.554	0.10
64_L	98_L	0.553	0.10
163_V	212_E	0.552	0.10
47_T	254_F	0.548	0.10
127_G	194_V	0.546	0.10
201_Q	205_Y	0.541	0.10
65_D	120_T	0.541	0.10
56_F	107_W	0.540	0.10
116_T	201_Q	0.539	0.10
44_L	242_L	0.537	0.10
81_L	219_S	0.537	0.10
62_K	168_D	0.533	0.10
34_P	217_A	0.527	0.10
49_P	164_V	0.524	0.10
55_N	247_Y	0.523	0.10
91_G	111_M	0.522	0.10
204_G	238_F	0.521	0.10
76_Q	200_F	0.521	0.10
82_G	149_K	0.520	0.10
192_E	242_L	0.520	0.10
166_Y	217_A	0.511	0.10
55_N	89_K	0.511	0.10
67_N	100_Y	0.509	0.09
26_S	126_D	0.508	0.09
99_L	192_E	0.507	0.09
44_L	60_V	0.506	0.09
141_E	203_K	0.504	0.09
52_R	211_K	0.504	0.09
99_L	190_K	0.502	0.09
19_S	208_I	0.500	0.09

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
3frmA	3	0.9498	100	0.682	Contact Map
1sqhA	1	0.9112	99.6	0.811	Contact Map
1s3zA	2	0.5405	99.6	0.813	Contact Map
1z4rA	1	0.5521	99.6	0.814	Contact Map
1n71A	4	0.5444	99.5	0.818	Contact Map
1qsmA	3	0.5444	99.5	0.818	Contact Map
1vkcA	2	0.5405	99.5	0.819	Contact Map
1yghA	1	0.5483	99.5	0.822	Contact Map
3pp9A	2	0.5598	99.5	0.822	Contact Map
3gy9A	3	0.5367	99.5	0.822	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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