Comparisons between final model coordinates and target structures

Structure/Model		Alignment		Core			All Residues				(In)accessible		Secondary Structure				Correctly aligned residues				Atom stats		Common Residues
scode	ccode	structalignperc	avshift	perccore	rmscore	rmsnoncore	rmsall	rmsca	rmsbb	rmssc	rmssurf	rmsinternal	rmsalpha	rmsbeta	rmsss	rmsnoss	alnall	alnca	alnbb	alnsc	missing	nfitted	rmscommon	rmscommall
T0001.1.1	T0001CM120.1	98.1	0	88.5	1.47	3.731	2.661	1.972	1.952	3.257	2.08	1.241	1.227	0.912	1.178	2.636	2.661	1.972	1.952	3.257	2	155	1.972	2.661
T0001.1.1	T0001CM121.4	88.1	0.13	88.5	1.732	4.226	3.255	2.276	2.233	4.072	2.391	1.48	1.255	1.452	1.62	2.852	2.426	1.789	1.783	2.972	0	157	2.256	3.134
T0001.1.1	T0001CM122.1	90.7	0.29	88.5	3.933	4.302	4.765	4.027	4.027	5.445	4.289	2.267	1.45	5.043	4.385	3.442	2.966	2.262	2.246	3.589	0	157	3.747	4.477
T0001.1.1	T0001CM123.1	90.7	0.29	88.5	4.02	4.269	4.791	4.102	4.115	5.418	4.362	2.366	1.481	5.097	4.449	3.528	2.985	2.306	2.288	3.593	0	157	3.821	4.493
T0001.1.1	T0001CM124.1	90.7	0.29	88.5	4.03	4.261	4.767	4.113	4.141	5.355	4.372	2.37	1.6	5.135	4.49	3.512	2.997	2.309	2.3	3.606	0	157	3.832	4.444
T0001.1.1	T0001CM141.2	80.9	0.15	88.5	2.686	3.697	4.252	2.918	2.83	5.376	2.985	2.399	2.255	2.636	2.646	3.192	3.958	2.764	2.694	4.983	0	157	2.926	4.264
T0001.1.1	T0001CM156.3	96.9	0	88.5	1.441	4.007	2.923	2.056	2.032	3.635	2.139	1.551	1.268	0.932	1.297	2.641	2.923	2.056	2.032	3.635	0	157	2.035	2.914
T0001.1.1	T0001CM157.1	91.1	0.07	88.5	1.612	3.732	3.218	2.046	2.008	4.138	2.137	1.453	1.43	1.334	1.51	2.541	2.566	1.743	1.712	3.249	0	157	2.019	3.106
T0001.1.1	T0001CM181.1	83.3	0.32	88.5	3.659	5.044	4.734	3.934	3.92	5.471	4.165	2.529	1.66	4.384	3.927	3.884	3.159	2.353	2.371	3.819	0	157	3.744	4.522
T0001.1.1	T0001CM187.1	86.4	0.34	88.5	3.876	3.334	4.712	3.904	3.896	5.453	4.147	2.298	0.971	5.074	4.348	3.148	2.306	1.515	1.571	2.899	0	157	3.587	4.282
T0001.1.1	T0001CM200.1	96.9	0	88.5	1.3	3.618	2.683	1.878	1.826	3.368	1.959	1.249	1.189	0.735	1.025	2.526	2.683	1.878	1.826	3.368	0	157	1.889	2.696
T0001.1.1	T0001CM204.1	91.4	0.11	88.5	1.988	3.575	3.176	2.333	2.286	3.912	2.44	1.614	1.194	2.16	2.035	2.613	2.72	1.891	1.843	3.435	0	157	2.259	3.056
T0001.1.1	T0001CM230.1	90.7	0.1	88.5	1.542	3.808	2.911	2.215	2.186	3.524	2.325	1.352	1.61	0.978	1.431	2.837	2.51	1.844	1.86	3.061	0	157	2.228	2.924
T0001.1.1	T0001CM300.1	96.9	0	88.5	1.574	3.851	2.768	2.019	2.011	3.395	2.132	1.299	1.422	1.123	1.37	2.594	2.768	2.019	2.011	3.395	0	157	2.031	2.773
T0002.1.1	T0002CM287.1	67.9	1.11	71.7	4.895	8.679	6.667	6.249	6.16	7.233	6.918	4.214	5.769	4.512	5.573	7.004	4.688	4.179	4.125	5.27	14	322	6.249	6.668
T0003.1.1	T0003CM143.2	92.9	0.07	91.6	2.257	4.456	4.157	3.027	2.97	5.167	3.254	2.089	1.009	2.35	2.309	3.453	4.001	2.876	2.819	4.986	0	154	2.479	3.469
T0003.1.1	T0003CM144.1	88.3	0.11	91.6	1.583	3.607	3.295	2.441	2.377	4.083	2.693	1.274	0.831	1.413	1.362	2.99	2.86	2.208	2.153	3.469	0	154	1.752	2.542
T0003.1.1	T0003CM145.1	91.6	0.07	91.6	1.602	3.98	3.417	2.536	2.484	4.219	2.806	1.316	0.793	1.426	1.365	3.129	2.99	2.303	2.25	3.63	0	154	1.791	2.629
T0003.1.1	T0003CM146.1	91.6	0.07	91.6	1.58	3.701	3.362	2.485	2.429	4.159	2.738	1.304	0.733	1.416	1.37	3.047	2.88	2.227	2.18	3.485	0	154	1.753	2.622
T0003.1.1	T0003CM150.4	84.4	0.12	91.6	1.535	2.383	2.497	1.659	1.652	3.197	1.752	1.261	0.747	1.415	1.36	1.851	1.703	1.184	1.203	2.13	0	148	1.668	2.51
T0003.1.1	T0003CM176.1	91.6	0.07	91.6	1.575	3.691	3.433	2.504	2.457	4.263	2.765	1.264	0.714	1.409	1.355	3.083	2.976	2.214	2.189	3.644	0	154	1.76	2.661
T0003.1.1	T0003CM182.1	88.3	0.07	91.6	1.857	2.812	2.915	2.091	2.063	3.645	2.339	0.896	0.777	1.141	1.176	2.576	2.343	1.67	1.651	2.927	0	148	2.097	2.927
T0003.1.1	T0003CM185.2	95.5	0.04	91.6	1.403	4.702	4.98	4.217	4.159	5.76	4.778	1.187	0.835	1.226	1.272	5.362	4.972	4.272	4.214	5.699	0	154	1.46	2.254
T0003.1.1	T0003CM197.1	100	0	91.6	1.156	3.908	2.992	2.214	2.16	3.701	2.504	0.824	0.633	0.804	0.852	2.838	2.992	2.214	2.16	3.701	0	154	1.341	2.119
T0003.1.1	T0003CM221.2	88.3	0.11	91.6	1.749	4.283	3.582	2.721	2.66	4.377	3	1.435	0.65	1.66	1.572	3.318	3.012	2.333	2.268	3.637	0	154	2.003	2.691
T0003.1.1	T0003CM222.1	82.5	0.35	91.6	4.452	6.479	6.703	6.002	5.968	7.439	6.493	4.002	0.752	5.527	5.161	6.556	2.18	1.598	1.578	2.701	0	154	3.055	3.578
T0003.1.1	T0003CM223.1	92.9	0.06	91.6	1.667	5.607	3.188	2.399	2.359	3.906	2.634	1.42	0.676	1.527	1.463	2.92	2.756	2.035	2.004	3.384	0	154	1.9	2.46
T0004.1.1	T0004CM288.1	38.1	1.44	47.4	7.097	7.363	8.125	7.384	7.276	8.836	7.457	5.951	2.111	7.278	7.08	6.878	3.746	2.483	2.587	4.504	0	76	7.384	8.125
T0009.1.1	T0009CM322.1	65.7	0.24	80.6	2.722	3.868	4.726	3.307	3.343	5.736	3.409	2.344	2.627	2.28	2.6	3.493	4.241	2.753	2.826	5.219	0	94	3.307	4.726
T0009.1.1	T0009CM323.1	82.4	0.07	80.6	1.456	4.536	3.599	2.587	2.483	4.448	2.732	1.542	2.576	0.808	1.949	2.882	3.169	2.174	2.101	3.95	0	94	2.587	3.599
T0009.1.1	T0009CM325.1	83.3	0.16	80.6	1.933	4.941	4.186	3.079	3.034	5.133	3.289	1.234	2.509	1.398	1.826	3.465	3.181	2.391	2.38	3.85	0	108	2.805	4.001
T0009.1.1	T0009CM328.1	81.5	0.18	80.6	1.705	4.24	4.1	2.752	2.713	5.17	2.845	2.039	3.257	1.447	2.336	2.952	3.352	2.25	2.218	4.205	0	108	2.67	4.138
T0009.1.1	T0009CM329.1	100	0	80.6	1.209	4.04	3.437	2.2	2.235	4.343	2.282	1.542	2.287	0.576	1.576	2.385	3.437	2.2	2.235	4.343	0	108	2.282	3.518
T0017.1.1	T0017CM443.4	100	0	100	0.467	0	0.951	0.467	0.478	1.234	0.507	0.294	0.44	0.129	0.412	0.504	0.951	0.467	0.478	1.234	0	217	0.435	0.896
T0017.1.1	T0017CM447.1	100	0	100	1.851	0	2.644	1.851	1.914	3.162	2.033	1.051	1.08	1.035	1.123	2.467	2.644	1.851	1.914	3.162	0	217	1.804	2.507
T0017.1.1	T0017CM465.2	100	0	100	0.5	0	1.184	0.5	0.531	1.555	0.545	0.297	0.359	0.166	0.341	0.633	1.184	0.5	0.531	1.555	0	217	0.436	1.076
T0017.1.1	T0017CM519.1	100	0	100	0.561	0	1.055	0.561	0.597	1.345	0.602	0.387	0.509	0.26	0.48	0.62	1.055	0.561	0.597	1.345	0	217	0.545	1.028
T0017.1.1	T0017CM521.1	100	0	100	0.455	0	1.001	0.455	0.47	1.31	0.493	0.291	0.407	0.149	0.382	0.513	1.001	0.455	0.47	1.31	0	217	0.409	0.933
T0017.1.1	T0017CM525.1	100	0	100	0.523	0	0.972	0.523	0.567	1.231	0.565	0.342	0.429	0.312	0.427	0.627	0.972	0.523	0.567	1.231	0	217	0.462	0.919
T0017.1.1	T0017CM529.1	100	0	100	1.117	0	1.599	1.117	1.147	1.921	1.247	0.51	0.593	0.257	0.565	1.54	1.599	1.117	1.147	1.921	0	217	0.726	1.172
T0017.1.1	T0017CM533.2	89.4	0	100	2.692	0	3.584	2.692	2.665	4.247	2.73	2.377	1.606	0.996	1.588	3.937	3.584	2.692	2.665	4.247	0	194	2.692	3.584
T0017.1.1	T0017CM591.2	100	0	100	0.488	0	0.998	0.488	0.493	1.299	0.531	0.306	0.453	0.145	0.425	0.536	0.998	0.488	0.493	1.299	0	217	0.449	0.942
T0017.1.1	T0017CM642.1	100	0	100	0.461	0	1.111	0.461	0.473	1.468	0.5	0.294	0.443	0.12	0.414	0.492	1.111	0.461	0.473	1.468	0	217	0.428	1.019
T0017.1.1	T0017CM651.1	100	0	100	0.722	0	1.437	0.722	0.77	1.847	0.774	0.498	0.572	0.566	0.598	0.853	1.437	0.722	0.77	1.847	0	217	0.707	1.396
T0017.1.1	T0017CM652.1	100	0	100	0.712	0	1.44	0.712	0.762	1.855	0.758	0.53	0.66	0.455	0.64	0.793	1.44	0.712	0.762	1.855	0	217	0.698	1.37
T0017.1.1	T0017CM950.1	100	0	100	0.448	0	0.982	0.448	0.464	1.284	0.484	0.294	0.435	0.118	0.406	0.475	0.982	0.448	0.464	1.284	0	217	0.415	0.92
T0024.2.1	T0024CM361.1	86.1	0.09	68.8	1.696	3.85	3.449	2.599	2.48	4.19	2.836	1.292	3.355	1.919	2.962	2.008	2.488	1.718	1.68	3.076	0	157	2.599	3.449
T0024.2.1	T0024CM366.1	84.3	0.39	68.8	2.74	4.564	4.553	3.689	3.61	5.321	3.95	2.129	3.23	2.501	3.102	4.149	3.941	3.241	3.21	4.547	0	160	3.475	4.423
T0024.2.1	T0024CM375.1	81.9	0.14	68.8	1.661	5.086	4.08	3.327	3.211	4.779	3.644	1.239	3.446	1.213	2.891	3.638	2.59	1.89	1.871	3.141	0	160	2.689	3.598
T0024.2.1	T0024CM401.2	86.1	0.09	68.8	1.575	4.93	3.973	3.343	3.308	4.531	3.659	1.286	3.357	0.974	2.792	3.727	2.575	2.002	2.093	2.961	0	160	2.687	3.437
T0024.2.1	T0024CM411.1	84.3	0.11	68.8	1.641	4.411	3.614	2.821	2.649	4.354	3.084	1.272	3.416	1.419	2.905	2.609	2.627	1.942	1.884	3.188	0	158	2.71	3.556
T0024.2.1	T0024CM429.1	86.1	0.09	68.8	1.72	3.389	3.282	2.475	2.361	3.99	2.667	1.39	3.417	0.71	2.818	1.954	2.262	1.531	1.539	2.79	0	158	2.391	3.243
T0027.2.1	T0027CM670.1	7	10.4	56	15.206	19.088	18.956	18.682	18.603	19.337	19.666	16.497	12.258	17.552	17.635	19.048	3.381	2.802	2.858	3.696	18	359	18.682	18.953
T0027.2.1	T0027CM673.1	7.2	10.54	56	15.471	19.283	19.295	18.951	18.867	19.753	19.945	16.728	12.515	17.69	17.917	19.281	3.839	2.858	2.951	4.463	18	359	18.951	19.292
T0027.2.1	T0027CM674.1	7	10.4	56	15.206	19.088	18.956	18.682	18.603	19.337	19.666	16.497	12.258	17.552	17.635	19.048	3.381	2.802	2.858	3.696	18	359	18.682	18.953
T0027.2.1	T0027CM675.1	7.2	10.54	56	15.471	19.283	19.295	18.951	18.867	19.753	19.945	16.728	12.515	17.69	17.917	19.281	3.839	2.858	2.951	4.463	18	359	18.951	19.292
T0028.1.1	T0028CM542.4	92.5	0.37	71.2	4.564	6.581	5.412	5.261	5.249	5.593	5.912	2.892	2.202	6.174	5.705	4.905	2.866	2.566	2.562	3.181	1	371	5.261	5.412
T0028.1.1	T0028CM619.1	99.7	0	71.2	2.767	5.872	4.425	4.021	4.01	4.859	4.464	2.541	2.229	3.876	3.742	4.128	4.43	4.026	4.015	4.864	0	371	4.021	4.426
T0028.1.1	T0028CM632.1	97.3	0.04	71.2	2.503	4.68	3.749	3.366	3.388	4.128	3.674	2.416	2.215	2.929	2.901	3.594	3.659	3.282	3.313	4.024	0	371	3.366	3.75
T0028.1.1	T0028CM707.1	99.5	0	71.2	2.636	5.739	4.424	4.053	4.024	4.85	4.448	2.69	2.225	3.972	3.768	4.156	4.431	4.061	4.027	4.86	0	371	4.053	4.425

scode Target structure identifier
ccode Model coordinate set identifier
structalignperc Percentage correct structural alignment. This is calculated by performing a SSAP alignment between the model coordinates and the structure coordinates and calculating the percentage of residues which have been corretly aligned (a model provides a definition of where the author has assigned each residue to be in space).
avshift Average residue shift in structural alignment.
perccore Percentage of residues which are in the structural core
rmscore RMS deviation on core defined between the structure and the best parent
rmsnoncore RMS deviation on non-core residues where core is defined between the structure and the best parent
rmsall RMS deviation calculated on all atoms using the author's alignment between the structures.
rmsca RMS deviation calculated on CA atoms using the author's alignment between the structures.
rmsbb RMS deviation calculated on backbone atoms using the author's alignment between the structures.
rmssc RMS deviation calculated on sidechain atoms using the author's alignment between the structures.
rmssurf RMS deviation (CA atoms) calculated on surface residues (≥5% SA) Equivalences from author's alignment between the structures. Accessibility calculated on target structure.
rmsinternal RMS deviation (CA atoms) calculated on buried residues (<5% SA) Equivalences from author's alignment between the structures. Accessibility calculated on target structure.
rmsalpha RMS deviation (CA atoms) on alpha residues. Secondary structure calculated on target structure.
rmsbeta RMS deviation (CA atoms) on beta residues Secondary structure calculated on target structure.
rmsss RMS deviation (CA atoms) on alpha/beta residues Secondary structure calculated on target structure.
rmsnoss RMS deviation (CA atoms) on non-alpha/beta residues Secondary structure calculated on target structure.
alnall RMS deviation (all atoms) on correctly structurally aligned residues
alnca RMS deviation (CA atoms) on correctly structurally aligned residues
alnbb RMS deviation (backbone atoms) on correctly structurally aligned residues
alnsc RMS deviation (sidechain atoms) on correctly structurally aligned residues
missing Number of missing atoms from model coordinates while calculating all-atom RMSd
nfitted Number of atoms fitted when calculating rmsca
rmscommon CA-RMSD calculated over residues common to all submitted models and the crystal structure.
rmscommallAll atom RMSD calculated over residues common to all submitted models and the crystal structure.