1CTS: Chain A TLS Analysis

26 Mar 2010

JobID: TLSMD7774_BVFshZTn

TLSMD Version 1.4.1

1CTS: Chain A TLS Analysis

Chain A Optimization Residual

TLSMD selects the optimal partition of a chain into 1 to 20 TLS groups by minimizing an overall residual function. This plot shows the value of the residual as a function of the number of TLS groups allowed in the partition. Adding additional TLS groups will always make this residual lower, but there is an issue of diminishing returns as you go to larger numbers of groups. The individual TLS segments are analyzed below.

TLS Partition Segment Alignment of Chain A

# of TLS Groups	Segment/Sequence Alignment
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20

# of TLS
Groups

Segment/Sequence Alignment

This plot shows the location along the protein sequence of the optimal TLS group segments, and how those segments align with the optimal TLS group segments as the number of TLS groups used increases.

Summary of Optimal TLS Group Partition using 1 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 1 Chain Segments (overall rmsd_b=6.37 and residual=2.80)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-434	431	3312	24.2	7.50	1.00	6.37	17.0	1.30, 0.38, 0.14	24.2	0.84

Summary of Optimal TLS Group Partition using 2 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 2 Chain Segments (overall rmsd_b=6.19 and residual=2.65)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-280	277	2108	23.7	7.40	1.00	5.92	14.7	1.81, 0.79, 0.00	23.7	0.81
	281-434	154	1204	25.1	7.59	1.00	6.72	20.8	1.29, 0.28, 0.00	25.1	0.85

Summary of Optimal TLS Group Partition using 3 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 3 Chain Segments (overall rmsd_b=5.94 and residual=2.44)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-280	277	2108	23.7	7.40	1.00	5.92	14.7	1.81, 0.79, 0.00	23.7	0.81
	281-362	82	653	25.7	7.32	1.00	5.91	16.2	4.97, 1.57, 0.00	25.7	0.82
	363-434	72	551	24.3	7.84	1.00	6.13	22.2	1.07, 0.00, 0.00	24.3	0.79

Summary of Optimal TLS Group Partition using 4 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 4 Chain Segments (overall rmsd_b=5.85 and residual=2.37)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-280	277	2108	23.7	7.40	1.00	5.92	14.7	1.81, 0.79, 0.00	23.7	0.81
	281-349	69	550	26.1	7.48	1.00	5.99	15.9	4.88, 1.14, 0.22	26.1	0.82
	350-379	30	222	27.3	7.99	1.00	4.70	15.4	14.16, 0.00, 4.87	27.3	0.76
	380-434	55	432	22.6	6.83	1.00	6.07	20.3	1.30, 0.00, 0.00	22.6	0.85

Summary of Optimal TLS Group Partition using 5 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 5 Chain Segments (overall rmsd_b=5.77 and residual=2.30)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-277	274	2082	23.7	7.41	1.00	5.91	14.5	1.76, 0.04, 0.73	23.7	0.80
	278-315	38	298	27.7	7.30	1.00	5.83	20.7	0.00, 5.13, 4.55	27.7	0.83
	316-359	44	358	24.1	6.89	1.00	5.47	20.1	5.39, 0.00, 0.00	24.1	0.81
	360-373	14	102	32.1	7.75	1.00	4.83	25.1	0.00, 21.17, 0.00	32.1	0.81
	374-434	61	472	22.7	6.68	1.00	6.00	20.6	1.16, 0.00, 0.00	22.7	0.86

Summary of Optimal TLS Group Partition using 6 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 6 Chain Segments (overall rmsd_b=5.70 and residual=2.25)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-266	263	2011	23.9	7.41	1.00	5.92	14.4	1.80, 0.00, 0.76	23.9	0.80
	267-286	20	148	20.6	6.22	1.00	6.00	20.6	0.00, 0.00, 0.00	20.6	0.90
	287-315	29	221	29.4	6.80	1.00	5.31	26.0	10.78, 0.00, 0.00	29.4	0.84
	316-359	44	358	24.1	6.89	1.00	5.47	20.1	5.39, 0.00, 0.00	24.1	0.81
	360-373	14	102	32.1	7.75	1.00	4.83	25.1	0.00, 21.17, 0.00	32.1	0.81
	374-434	61	472	22.7	6.68	1.00	6.00	20.6	1.16, 0.00, 0.00	22.7	0.86

Summary of Optimal TLS Group Partition using 7 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 7 Chain Segments (overall rmsd_b=5.62 and residual=2.19)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-110	107	802	26.8	6.81	1.00	5.58	18.9	0.00, 1.67, 1.01	26.8	0.83
	111-142	32	249	22.2	7.24	1.00	6.04	15.2	6.35, 0.00, 1.38	22.2	0.82
	143-233	91	723	22.7	7.34	1.00	5.80	18.1	0.00, 2.50, 0.00	22.7	0.78
	234-315	82	606	23.4	7.80	1.00	5.72	19.8	0.00, 5.17, 0.00	23.4	0.78
	316-359	44	358	24.1	6.89	1.00	5.47	20.1	5.39, 0.00, 0.00	24.1	0.81
	360-373	14	102	32.1	7.75	1.00	4.83	25.1	0.00, 21.17, 0.00	32.1	0.81
	374-434	61	472	22.7	6.68	1.00	6.00	20.6	1.16, 0.00, 0.00	22.7	0.86

Summary of Optimal TLS Group Partition using 8 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 8 Chain Segments (overall rmsd_b=5.55 and residual=2.13)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-110	107	802	26.8	6.81	1.00	5.58	18.9	0.00, 1.67, 1.01	26.8	0.83
	111-142	32	249	22.2	7.24	1.00	6.04	15.2	6.35, 0.00, 1.38	22.2	0.82
	143-236	94	747	22.8	7.26	1.00	5.84	8.3	2.48, 0.00, 0.79	22.8	0.79
	237-279	43	301	19.1	5.86	1.00	4.94	17.1	3.80, 0.00, 0.08	19.1	0.84
	280-315	36	281	27.7	7.42	1.00	5.75	15.6	5.23, 3.06, 0.00	27.7	0.82
	316-359	44	358	24.1	6.89	1.00	5.47	20.1	5.39, 0.00, 0.00	24.1	0.81
	360-373	14	102	32.1	7.75	1.00	4.83	25.1	0.00, 21.17, 0.00	32.1	0.81
	374-434	61	472	22.7	6.68	1.00	6.00	20.6	1.16, 0.00, 0.00	22.7	0.86

Summary of Optimal TLS Group Partition using 9 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 9 Chain Segments (overall rmsd_b=5.48 and residual=2.08)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-110	107	802	26.8	6.81	1.00	5.58	18.9	0.00, 1.67, 1.01	26.8	0.83
	111-171	61	479	22.8	7.65	1.00	6.06	15.7	4.58, 0.00, 1.72	22.8	0.79
	172-211	40	309	21.6	6.32	1.00	5.09	20.0	0.00, 2.76, 0.00	21.6	0.78
	212-237	26	216	24.0	7.47	1.00	5.76	13.1	13.18, 2.06, 0.00	24.0	0.78
	238-279	42	293	18.7	5.52	1.00	4.86	16.5	2.94, 0.00, 0.68	18.7	0.87
	280-315	36	281	27.7	7.42	1.00	5.75	15.6	5.23, 3.06, 0.00	27.7	0.82
	316-359	44	358	24.1	6.89	1.00	5.47	20.1	5.39, 0.00, 0.00	24.1	0.81
	360-373	14	102	32.1	7.75	1.00	4.83	25.1	0.00, 21.17, 0.00	32.1	0.81
	374-434	61	472	22.7	6.68	1.00	6.00	20.6	1.16, 0.00, 0.00	22.7	0.86

Summary of Optimal TLS Group Partition using 10 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 10 Chain Segments (overall rmsd_b=5.42 and residual=2.03)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-110	107	802	26.8	6.81	1.00	5.58	18.9	0.00, 1.67, 1.01	26.8	0.83
	111-171	61	479	22.8	7.65	1.00	6.06	15.7	4.58, 0.00, 1.72	22.8	0.79
	172-211	40	309	21.6	6.32	1.00	5.09	20.0	0.00, 2.76, 0.00	21.6	0.78
	212-237	26	216	24.0	7.47	1.00	5.76	13.1	13.18, 2.06, 0.00	24.0	0.78
	238-279	42	293	18.7	5.52	1.00	4.86	16.5	2.94, 0.00, 0.68	18.7	0.87
	280-293	14	114	25.0	8.30	1.00	5.78	19.9	19.69, 0.00, 2.42	25.0	0.73
	294-315	22	167	29.5	6.12	1.00	4.39	26.2	15.65, 0.00, 0.00	29.5	0.84
	316-359	44	358	24.1	6.89	1.00	5.47	20.1	5.39, 0.00, 0.00	24.1	0.81
	360-373	14	102	32.1	7.75	1.00	4.83	25.1	0.00, 21.17, 0.00	32.1	0.81
	374-434	61	472	22.7	6.68	1.00	6.00	20.6	1.16, 0.00, 0.00	22.7	0.86

Summary of Optimal TLS Group Partition using 11 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 11 Chain Segments (overall rmsd_b=5.35 and residual=1.98)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-110	107	802	26.8	6.81	1.00	5.58	18.9	0.00, 1.67, 1.01	26.8	0.83
	111-142	32	249	22.2	7.24	1.00	6.04	15.2	6.35, 0.00, 1.38	22.2	0.82
	143-236	94	747	22.8	7.26	1.00	5.84	8.3	2.48, 0.00, 0.79	22.8	0.79
	237-279	43	301	19.1	5.86	1.00	4.94	17.1	3.80, 0.00, 0.08	19.1	0.84
	280-306	27	222	26.8	7.49	1.00	5.59	18.2	9.91, 2.97, 0.00	26.8	0.81
	307-323	17	116	27.4	8.05	1.00	5.32	21.5	8.25, 0.00, 0.00	27.4	0.75
	324-362	39	324	24.4	6.58	1.00	5.46	21.2	0.00, 5.11, 0.00	24.4	0.84
	363-394	32	250	26.7	7.61	1.00	5.05	22.7	4.56, 0.41, 0.00	26.7	0.79
	395-415	21	160	19.4	5.90	1.00	5.16	16.8	11.84, 0.00, 0.00	19.4	0.84
	416-424	9	72	23.8	8.71	1.00	7.02	20.1	39.84, 0.00, 0.00	23.8	0.77
	425-434	10	69	27.8	5.57	1.00	4.98	27.8	0.00, 0.00, 0.00	27.8	0.89

Summary of Optimal TLS Group Partition using 12 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 12 Chain Segments (overall rmsd_b=5.28 and residual=1.93)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-110	107	802	26.8	6.81	1.00	5.58	18.9	0.00, 1.67, 1.01	26.8	0.83
	111-171	61	479	22.8	7.65	1.00	6.06	15.7	4.58, 0.00, 1.72	22.8	0.79
	172-211	40	309	21.6	6.32	1.00	5.09	20.0	0.00, 2.76, 0.00	21.6	0.78
	212-237	26	216	24.0	7.47	1.00	5.76	13.1	13.18, 2.06, 0.00	24.0	0.78
	238-279	42	293	18.7	5.52	1.00	4.86	16.5	2.94, 0.00, 0.68	18.7	0.87
	280-306	27	222	26.8	7.49	1.00	5.59	18.2	9.91, 2.97, 0.00	26.8	0.81
	307-323	17	116	27.4	8.05	1.00	5.32	21.5	8.25, 0.00, 0.00	27.4	0.75
	324-362	39	324	24.4	6.58	1.00	5.46	21.2	0.00, 5.11, 0.00	24.4	0.84
	363-394	32	250	26.7	7.61	1.00	5.05	22.7	4.56, 0.41, 0.00	26.7	0.79
	395-415	21	160	19.4	5.90	1.00	5.16	16.8	11.84, 0.00, 0.00	19.4	0.84
	416-424	9	72	23.8	8.71	1.00	7.02	20.1	39.84, 0.00, 0.00	23.8	0.77
	425-434	10	69	27.8	5.57	1.00	4.98	27.8	0.00, 0.00, 0.00	27.8	0.89

Summary of Optimal TLS Group Partition using 13 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 13 Chain Segments (overall rmsd_b=5.21 and residual=1.88)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-110	107	802	26.8	6.81	1.00	5.58	18.9	0.00, 1.67, 1.01	26.8	0.83
	111-142	32	249	22.2	7.24	1.00	6.04	15.2	6.35, 0.00, 1.38	22.2	0.82
	143-190	48	378	22.2	7.35	1.00	5.35	13.5	3.65, 0.00, 0.00	22.2	0.76
	191-214	24	187	22.5	6.54	1.00	4.20	16.6	9.92, 0.21, 0.00	22.5	0.75
	215-237	23	190	24.5	7.58	1.00	5.84	15.3	13.33, 3.26, 0.00	24.5	0.78
	238-279	42	293	18.7	5.52	1.00	4.86	16.5	2.94, 0.00, 0.68	18.7	0.87
	280-306	27	222	26.8	7.49	1.00	5.59	18.2	9.91, 2.97, 0.00	26.8	0.81
	307-323	17	116	27.4	8.05	1.00	5.32	21.5	8.25, 0.00, 0.00	27.4	0.75
	324-362	39	324	24.4	6.58	1.00	5.46	21.2	0.00, 5.11, 0.00	24.4	0.84
	363-394	32	250	26.7	7.61	1.00	5.05	22.7	4.56, 0.41, 0.00	26.7	0.79
	395-415	21	160	19.4	5.90	1.00	5.16	16.8	11.84, 0.00, 0.00	19.4	0.84
	416-424	9	72	23.8	8.71	1.00	7.02	20.1	39.84, 0.00, 0.00	23.8	0.77
	425-434	10	69	27.8	5.57	1.00	4.98	27.8	0.00, 0.00, 0.00	27.8	0.89

Summary of Optimal TLS Group Partition using 14 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 14 Chain Segments (overall rmsd_b=5.15 and residual=1.83)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-110	107	802	26.8	6.81	1.00	5.58	18.9	0.00, 1.67, 1.01	26.8	0.83
	111-142	32	249	22.2	7.24	1.00	6.04	15.2	6.35, 0.00, 1.38	22.2	0.82
	143-190	48	378	22.2	7.35	1.00	5.35	13.5	3.65, 0.00, 0.00	22.2	0.76
	191-215	25	195	22.7	6.66	1.00	4.32	16.7	10.05, 0.37, 0.00	22.7	0.75
	216-224	9	72	26.2	8.15	1.00	4.72	16.7	32.73, 0.00, 0.00	26.2	0.73
	225-234	10	86	22.0	7.07	1.00	5.46	17.7	0.00, 21.34, 0.00	22.0	0.79
	235-279	45	317	19.4	5.89	1.00	4.90	17.7	0.00, 3.28, 0.00	19.4	0.83
	280-306	27	222	26.8	7.49	1.00	5.59	18.2	9.91, 2.97, 0.00	26.8	0.81
	307-323	17	116	27.4	8.05	1.00	5.32	21.5	8.25, 0.00, 0.00	27.4	0.75
	324-362	39	324	24.4	6.58	1.00	5.46	21.2	0.00, 5.11, 0.00	24.4	0.84
	363-394	32	250	26.7	7.61	1.00	5.05	22.7	4.56, 0.41, 0.00	26.7	0.79
	395-415	21	160	19.4	5.90	1.00	5.16	16.8	11.84, 0.00, 0.00	19.4	0.84
	416-424	9	72	23.8	8.71	1.00	7.02	20.1	39.84, 0.00, 0.00	23.8	0.77
	425-434	10	69	27.8	5.57	1.00	4.98	27.8	0.00, 0.00, 0.00	27.8	0.89

Summary of Optimal TLS Group Partition using 15 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 15 Chain Segments (overall rmsd_b=5.08 and residual=1.79)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-110	107	802	26.8	6.81	1.00	5.58	18.9	0.00, 1.67, 1.01	26.8	0.83
	111-142	32	249	22.2	7.24	1.00	6.04	15.2	6.35, 0.00, 1.38	22.2	0.82
	143-190	48	378	22.2	7.35	1.00	5.35	13.5	3.65, 0.00, 0.00	22.2	0.76
	191-215	25	195	22.7	6.66	1.00	4.32	16.7	10.05, 0.37, 0.00	22.7	0.75
	216-224	9	72	26.2	8.15	1.00	4.72	16.7	32.73, 0.00, 0.00	26.2	0.73
	225-233	9	78	21.4	7.14	1.00	5.64	17.7	0.00, 20.52, 0.00	21.4	0.78
	234-268	35	249	19.2	5.75	1.00	4.67	17.8	1.62, 0.00, 0.02	19.2	0.82
	269-286	18	136	21.0	6.22	1.00	5.93	20.9	0.00, 0.00, 0.00	21.0	0.89
	287-293	7	54	29.2	8.56	1.00	4.05	20.4	42.22, 10.72, 0.00	29.2	0.73
	294-315	22	167	29.5	6.12	1.00	4.39	26.2	15.65, 0.00, 0.00	29.5	0.84
	316-362	47	381	24.3	6.83	1.00	5.50	20.3	5.24, 0.00, 0.00	24.3	0.82
	363-394	32	250	26.7	7.61	1.00	5.05	22.7	4.56, 0.41, 0.00	26.7	0.79
	395-415	21	160	19.4	5.90	1.00	5.16	16.8	11.84, 0.00, 0.00	19.4	0.84
	416-424	9	72	23.8	8.71	1.00	7.02	20.1	39.84, 0.00, 0.00	23.8	0.77
	425-434	10	69	27.8	5.57	1.00	4.98	27.8	0.00, 0.00, 0.00	27.8	0.89

Summary of Optimal TLS Group Partition using 16 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 16 Chain Segments (overall rmsd_b=5.01 and residual=1.74)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-110	107	802	26.8	6.81	1.00	5.58	18.9	0.00, 1.67, 1.01	26.8	0.83
	111-142	32	249	22.2	7.24	1.00	6.04	15.2	6.35, 0.00, 1.38	22.2	0.82
	143-190	48	378	22.2	7.35	1.00	5.35	13.5	3.65, 0.00, 0.00	22.2	0.76
	191-215	25	195	22.7	6.66	1.00	4.32	16.7	10.05, 0.37, 0.00	22.7	0.75
	216-224	9	72	26.2	8.15	1.00	4.72	16.7	32.73, 0.00, 0.00	26.2	0.73
	225-233	9	78	21.4	7.14	1.00	5.64	17.7	0.00, 20.52, 0.00	21.4	0.78
	234-268	35	249	19.2	5.75	1.00	4.67	17.8	1.62, 0.00, 0.02	19.2	0.82
	269-286	18	136	21.0	6.22	1.00	5.93	20.9	0.00, 0.00, 0.00	21.0	0.89
	287-293	7	54	29.2	8.56	1.00	4.05	20.4	42.22, 10.72, 0.00	29.2	0.73
	294-315	22	167	29.5	6.12	1.00	4.39	26.2	15.65, 0.00, 0.00	29.5	0.84
	316-355	40	328	24.4	7.02	1.00	5.45	20.1	5.39, 0.00, 0.00	24.4	0.80
	356-369	14	96	30.2	8.72	1.00	4.32	25.5	21.09, 0.00, 0.00	30.2	0.74
	370-388	19	151	24.6	6.27	1.00	5.20	21.4	14.63, 0.39, 0.00	24.6	0.85
	389-415	27	216	20.5	5.81	1.00	5.05	16.3	7.31, 1.11, 0.00	20.5	0.84
	416-424	9	72	23.8	8.71	1.00	7.02	20.1	39.84, 0.00, 0.00	23.8	0.77
	425-434	10	69	27.8	5.57	1.00	4.98	27.8	0.00, 0.00, 0.00	27.8	0.89

Summary of Optimal TLS Group Partition using 17 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 17 Chain Segments (overall rmsd_b=4.95 and residual=1.69)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-36	33	246	30.2	6.17	1.00	5.17	27.8	1.71, 0.00, 0.00	30.2	0.86
	37-110	74	556	25.3	6.54	1.00	5.60	20.5	3.58, 0.00, 1.12	25.3	0.85
	111-142	32	249	22.2	7.24	1.00	6.04	15.2	6.35, 0.00, 1.38	22.2	0.82
	143-190	48	378	22.2	7.35	1.00	5.35	13.5	3.65, 0.00, 0.00	22.2	0.76
	191-215	25	195	22.7	6.66	1.00	4.32	16.7	10.05, 0.37, 0.00	22.7	0.75
	216-224	9	72	26.2	8.15	1.00	4.72	16.7	32.73, 0.00, 0.00	26.2	0.73
	225-233	9	78	21.4	7.14	1.00	5.64	17.7	0.00, 20.52, 0.00	21.4	0.78
	234-268	35	249	19.2	5.75	1.00	4.67	17.8	1.62, 0.00, 0.02	19.2	0.82
	269-286	18	136	21.0	6.22	1.00	5.93	20.9	0.00, 0.00, 0.00	21.0	0.89
	287-293	7	54	29.2	8.56	1.00	4.05	20.4	42.22, 10.72, 0.00	29.2	0.73
	294-315	22	167	29.5	6.12	1.00	4.39	26.2	15.65, 0.00, 0.00	29.5	0.84
	316-355	40	328	24.4	7.02	1.00	5.45	20.1	5.39, 0.00, 0.00	24.4	0.80
	356-369	14	96	30.2	8.72	1.00	4.32	25.5	21.09, 0.00, 0.00	30.2	0.74
	370-388	19	151	24.6	6.27	1.00	5.20	21.4	14.63, 0.39, 0.00	24.6	0.85
	389-415	27	216	20.5	5.81	1.00	5.05	16.3	7.31, 1.11, 0.00	20.5	0.84
	416-424	9	72	23.8	8.71	1.00	7.02	20.1	39.84, 0.00, 0.00	23.8	0.77
	425-434	10	69	27.8	5.57	1.00	4.98	27.8	0.00, 0.00, 0.00	27.8	0.89

Summary of Optimal TLS Group Partition using 18 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 18 Chain Segments (overall rmsd_b=4.88 and residual=1.65)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-36	33	246	30.2	6.17	1.00	5.17	27.8	1.71, 0.00, 0.00	30.2	0.86
	37-110	74	556	25.3	6.54	1.00	5.60	20.5	3.58, 0.00, 1.12	25.3	0.85
	111-123	13	101	24.3	8.07	1.00	4.24	1.2	14.87, 0.00, 4.67	24.3	0.70
	124-142	19	148	20.9	6.25	1.00	5.98	19.6	6.18, 0.00, 0.00	20.9	0.91
	143-190	48	378	22.2	7.35	1.00	5.35	13.5	3.65, 0.00, 0.00	22.2	0.76
	191-215	25	195	22.7	6.66	1.00	4.32	16.7	10.05, 0.37, 0.00	22.7	0.75
	216-224	9	72	26.2	8.15	1.00	4.72	16.7	32.73, 0.00, 0.00	26.2	0.73
	225-233	9	78	21.4	7.14	1.00	5.64	17.7	0.00, 20.52, 0.00	21.4	0.78
	234-268	35	249	19.2	5.75	1.00	4.67	17.8	1.62, 0.00, 0.02	19.2	0.82
	269-286	18	136	21.0	6.22	1.00	5.93	20.9	0.00, 0.00, 0.00	21.0	0.89
	287-293	7	54	29.2	8.56	1.00	4.05	20.4	42.22, 10.72, 0.00	29.2	0.73
	294-315	22	167	29.5	6.12	1.00	4.39	26.2	15.65, 0.00, 0.00	29.5	0.84
	316-355	40	328	24.4	7.02	1.00	5.45	20.1	5.39, 0.00, 0.00	24.4	0.80
	356-369	14	96	30.2	8.72	1.00	4.32	25.5	21.09, 0.00, 0.00	30.2	0.74
	370-388	19	151	24.6	6.27	1.00	5.20	21.4	14.63, 0.39, 0.00	24.6	0.85
	389-415	27	216	20.5	5.81	1.00	5.05	16.3	7.31, 1.11, 0.00	20.5	0.84
	416-424	9	72	23.8	8.71	1.00	7.02	20.1	39.84, 0.00, 0.00	23.8	0.77
	425-434	10	69	27.8	5.57	1.00	4.98	27.8	0.00, 0.00, 0.00	27.8	0.89

Summary of Optimal TLS Group Partition using 19 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 19 Chain Segments (overall rmsd_b=4.81 and residual=1.60)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-34	31	231	30.6	5.76	1.00	5.02	28.6	1.57, 0.00, 0.00	30.6	0.89
	35-48	14	98	23.9	6.55	1.00	5.62	21.6	0.00, 14.97, 0.00	23.9	0.85
	49-62	14	109	25.7	7.65	1.00	5.48	21.0	0.00, 18.58, 0.00	25.7	0.79
	63-110	48	364	25.4	6.22	1.00	4.88	20.5	0.00, 5.63, 4.17	25.4	0.84
	111-142	32	249	22.2	7.24	1.00	6.04	15.2	6.35, 0.00, 1.38	22.2	0.82
	143-190	48	378	22.2	7.35	1.00	5.35	13.5	3.65, 0.00, 0.00	22.2	0.76
	191-215	25	195	22.7	6.66	1.00	4.32	16.7	10.05, 0.37, 0.00	22.7	0.75
	216-224	9	72	26.2	8.15	1.00	4.72	16.7	32.73, 0.00, 0.00	26.2	0.73
	225-233	9	78	21.4	7.14	1.00	5.64	17.7	0.00, 20.52, 0.00	21.4	0.78
	234-268	35	249	19.2	5.75	1.00	4.67	17.8	1.62, 0.00, 0.02	19.2	0.82
	269-286	18	136	21.0	6.22	1.00	5.93	20.9	0.00, 0.00, 0.00	21.0	0.89
	287-293	7	54	29.2	8.56	1.00	4.05	20.4	42.22, 10.72, 0.00	29.2	0.73
	294-315	22	167	29.5	6.12	1.00	4.39	26.2	15.65, 0.00, 0.00	29.5	0.84
	316-355	40	328	24.4	7.02	1.00	5.45	20.1	5.39, 0.00, 0.00	24.4	0.80
	356-369	14	96	30.2	8.72	1.00	4.32	25.5	21.09, 0.00, 0.00	30.2	0.74
	370-388	19	151	24.6	6.27	1.00	5.20	21.4	14.63, 0.39, 0.00	24.6	0.85
	389-415	27	216	20.5	5.81	1.00	5.05	16.3	7.31, 1.11, 0.00	20.5	0.84
	416-424	9	72	23.8	8.71	1.00	7.02	20.1	39.84, 0.00, 0.00	23.8	0.77
	425-434	10	69	27.8	5.57	1.00	4.98	27.8	0.00, 0.00, 0.00	27.8	0.89

Summary of Optimal TLS Group Partition using 20 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 20 Chain Segments (overall rmsd_b=4.75 and residual=1.56)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-34	31	231	30.6	5.76	1.00	5.02	28.6	1.57, 0.00, 0.00	30.6	0.89
	35-48	14	98	23.9	6.55	1.00	5.62	21.6	0.00, 14.97, 0.00	23.9	0.85
	49-62	14	109	25.7	7.65	1.00	5.48	21.0	0.00, 18.58, 0.00	25.7	0.79
	63-110	48	364	25.4	6.22	1.00	4.88	20.5	0.00, 5.63, 4.17	25.4	0.84
	111-123	13	101	24.3	8.07	1.00	4.24	1.2	14.87, 0.00, 4.67	24.3	0.70
	124-142	19	148	20.9	6.25	1.00	5.98	19.6	6.18, 0.00, 0.00	20.9	0.91
	143-190	48	378	22.2	7.35	1.00	5.35	13.5	3.65, 0.00, 0.00	22.2	0.76
	191-215	25	195	22.7	6.66	1.00	4.32	16.7	10.05, 0.37, 0.00	22.7	0.75
	216-224	9	72	26.2	8.15	1.00	4.72	16.7	32.73, 0.00, 0.00	26.2	0.73
	225-233	9	78	21.4	7.14	1.00	5.64	17.7	0.00, 20.52, 0.00	21.4	0.78
	234-268	35	249	19.2	5.75	1.00	4.67	17.8	1.62, 0.00, 0.02	19.2	0.82
	269-286	18	136	21.0	6.22	1.00	5.93	20.9	0.00, 0.00, 0.00	21.0	0.89
	287-293	7	54	29.2	8.56	1.00	4.05	20.4	42.22, 10.72, 0.00	29.2	0.73
	294-315	22	167	29.5	6.12	1.00	4.39	26.2	15.65, 0.00, 0.00	29.5	0.84
	316-355	40	328	24.4	7.02	1.00	5.45	20.1	5.39, 0.00, 0.00	24.4	0.80
	356-369	14	96	30.2	8.72	1.00	4.32	25.5	21.09, 0.00, 0.00	30.2	0.74
	370-388	19	151	24.6	6.27	1.00	5.20	21.4	14.63, 0.39, 0.00	24.6	0.85
	389-415	27	216	20.5	5.81	1.00	5.05	16.3	7.31, 1.11, 0.00	20.5	0.84
	416-424	9	72	23.8	8.71	1.00	7.02	20.1	39.84, 0.00, 0.00	23.8	0.77
	425-434	10	69	27.8	5.57	1.00	4.98	27.8	0.00, 0.00, 0.00	27.8	0.89

26 Mar 2010

JobID: TLSMD7774_BVFshZTn

TLSMD Version 1.4.1 Released 11 February 2010