Structural alphabets derived from attractors in conformational space

Pandini, Alessandro; Fornili, Arianna; Kleinjung, Jens

doi:10.1186/1471-2105-11-97

BMC Bioinformatics

Table 5 Performance of Structural Alphabets in local and global fit reconstruction of tCONCOORD ensembles.

From: Structural alphabets derived from attractors in conformational space

	M32K25 LF		M32K25 GF		CGT2004 LF		CGT2004 GF		MSM2000 LF		MSM2000 GF
PDB ID	/Å	IQD/Å	/Å	IQD/Å	/Å	IQD/Å	/Å	IQD/Å	/Å	IQD/Å	/Å	IQD/Å
1a4p	0.225	0.014	0.664	0.037	0.207	0.014	0.575	0.046	0.261	0.012	1.005	0.034
2dn2	0.203	0.009	0.659	0.045	0.192	0.009	0.541	0.043	0.260	0.008	1.017	0.028
2ilk	0.261	0.013	0.771	0.046	0.237	0.013	0.673	0.053	0.286	0.011	1.024	0.025
1v74	0.218	0.016	0.653	0.046	0.209	0.015	0.559	0.049	0.280	0.014	1.018	0.025
2hue	0.250	0.017	0.700	0.045	0.230	0.016	0.622	0.051	0.291	0.014	1.001	0.029
1mz4	0.273	0.013	0.756	0.032	0.260	0.011	0.667	0.030	0.317	0.011	0.960	0.023
1z5y	0.308	0.021	0.852	0.085	0.307	0.016	0.873	0.082	0.356	0.015	0.940	0.055
1n9r	0.328	0.020	0.844	0.061	0.310	0.017	0.803	0.049	0.352	0.016	0.847	0.032
2f3g	0.294	0.011	0.808	0.026	0.299	0.011	0.798	0.025	0.338	0.009	0.854	0.017
2z6k	0.300	0.015	0.811	0.048	0.298	0.013	0.807	0.039	0.333	0.013	0.883	0.024
2rac	0.308	0.017	0.810	0.050	0.307	0.015	0.819	0.051	0.354	0.013	0.869	0.025
1beh	0.313	0.013	0.863	0.034	0.305	0.011	0.831	0.032	0.351	0.008	0.925	0.016
1ay7	0.248	0.014	0.654	0.030	0.239	0.015	0.601	0.045	0.307	0.013	0.963	0.025
1qjc	0.262	0.012	0.725	0.026	0.253	0.010	0.666	0.028	0.307	0.010	0.957	0.021
2vrw	0.268	0.013	0.721	0.028	0.264	0.013	0.688	0.031	0.311	0.012	0.912	0.015
2d1p	0.275	0.018	0.749	0.032	0.269	0.016	0.718	0.032	0.331	0.014	0.913	0.023
2trx	0.305	0.016	0.763	0.032	0.289	0.015	0.703	0.035	0.328	0.011	0.929	0.023
1uex	0.279	0.012	0.763	0.029	0.265	0.010	0.722	0.028	0.318	0.014	0.975	0.018
1gy6	0.271	0.023	0.807	0.094	0.259	0.019	0.788	0.096	0.328	0.020	0.955	0.059
1oo0	0.279	0.020	0.797	0.071	0.263	0.018	0.739	0.072	0.320	0.016	0.969	0.039
1gd0	0.286	0.017	0.819	0.046	0.266	0.015	0.757	0.053	0.337	0.014	0.959	0.038
3eze	0.284	0.017	0.735	0.036	0.269	0.016	0.694	0.047	0.314	0.015	0.921	0.042
2uyz	0.268	0.015	0.745	0.044	0.268	0.013	0.745	0.045	0.313	0.011	0.946	0.022
2inc	0.268	0.016	0.728	0.052	0.285	0.016	0.744	0.049	0.324	0.014	0.878	0.035

: median cRMSD, IQD: inter-quartile distance of cRMSD. Values from the M32K25, CGT2004 and MSM2000 alphabets are calculated by local fit (LF) and global fit (GF) encoding.

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ISSN: 1471-2105

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