1KP8: Chain N TLS Analysis

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1

1KP8: Chain N TLS Analysis

Chain N 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 N

# 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
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 1 Chain Segments (overall rmsd_b=11.93 and residual=11.98)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-526	525	3855	69.8	29.39	1.00	12.03	56.6	4.48, 0.31, 0.00	69.8	0.63

Summary of Optimal TLS Group Partition using 2 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 2 Chain Segments (overall rmsd_b=9.35 and residual=7.37)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-141	140	1005	43.3	11.52	1.00	6.74	33.3	3.61, 0.00, 1.67	43.3	0.81
	142-526	385	2850	79.2	28.04	1.00	11.69	64.8	5.17, 0.23, 0.00	79.2	0.68

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=6.78 and residual=3.87)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-138	137	985	42.5	10.15	1.00	6.78	33.1	3.58, 0.00, 1.60	42.5	0.83
	139-399	261	1949	95.3	17.18	1.00	7.55	71.3	7.47, 0.97, 1.99	95.3	0.82
	400-526	127	921	45.3	10.60	1.00	5.69	31.5	6.27, 0.43, 1.25	45.3	0.81

Summary of Optimal TLS Group Partition using 4 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 4 Chain Segments (overall rmsd_b=6.32 and residual=3.36)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-128	127	911	41.4	9.46	1.00	6.80	32.1	3.28, 0.00, 1.56	41.4	0.84
	129-222	94	701	81.5	14.61	1.00	7.97	73.0	0.00, 6.27, 0.00	81.5	0.82
	223-398	176	1317	100.5	16.66	1.00	7.12	73.7	6.67, 1.32, 2.90	100.5	0.83
	399-526	128	926	45.4	10.70	1.00	5.70	31.5	6.26, 0.32, 1.38	45.4	0.81

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=5.89 and residual=2.92)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-104	103	742	41.4	9.88	1.00	6.39	32.4	5.74, 1.04, 0.00	41.4	0.82
	105-185	81	573	64.8	18.75	1.00	5.83	33.3	10.04, 1.87, 0.00	64.8	0.70
	186-312	127	958	100.0	15.39	1.00	6.40	73.4	7.37, 0.17, 3.65	100.0	0.84
	313-398	86	656	97.0	17.51	1.00	6.27	75.4	6.33, 0.00, 2.98	97.0	0.82
	399-526	128	926	45.4	10.70	1.00	5.70	31.5	6.26, 0.32, 1.38	45.4	0.81

Summary of Optimal TLS Group Partition using 6 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 6 Chain Segments (overall rmsd_b=5.52 and residual=2.57)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-104	103	742	41.4	9.88	1.00	6.39	32.4	5.74, 1.04, 0.00	41.4	0.82
	105-185	81	573	64.8	18.75	1.00	5.83	33.3	10.04, 1.87, 0.00	64.8	0.70
	186-303	118	889	98.5	15.00	1.00	6.34	73.3	0.04, 3.80, 7.39	98.5	0.84
	304-367	64	499	105.5	16.91	1.00	4.89	34.8	6.75, 0.00, 0.89	105.5	0.82
	368-413	46	330	76.1	16.65	1.00	5.51	69.5	0.00, 5.83, 0.00	76.1	0.76
	414-526	113	822	43.9	9.59	1.00	5.42	32.1	5.65, 1.73, 0.00	43.9	0.82

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=5.13 and residual=2.22)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-78	77	569	41.8	9.58	1.00	5.55	35.1	10.25, 0.00, 0.00	41.8	0.83
	79-150	72	498	48.5	15.13	1.00	5.00	29.2	11.54, 0.00, 5.08	48.5	0.71
	151-200	50	371	81.4	8.57	1.00	4.73	71.4	7.62, 0.00, 3.44	81.4	0.90
	201-303	103	766	100.9	14.57	1.00	6.14	71.1	8.21, 2.10, 0.86	100.9	0.85
	304-367	64	499	105.5	16.91	1.00	4.89	34.8	6.75, 0.00, 0.89	105.5	0.82
	368-413	46	330	76.1	16.65	1.00	5.51	69.5	0.00, 5.83, 0.00	76.1	0.76
	414-526	113	822	43.9	9.59	1.00	5.42	32.1	5.65, 1.73, 0.00	43.9	0.82

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=4.91 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>
	2-78	77	569	41.8	9.58	1.00	5.55	35.1	10.25, 0.00, 0.00	41.8	0.83
	79-150	72	498	48.5	15.13	1.00	5.00	29.2	11.54, 0.00, 5.08	48.5	0.71
	151-200	50	371	81.4	8.57	1.00	4.73	71.4	7.62, 0.00, 3.44	81.4	0.90
	201-276	76	569	103.4	13.97	1.00	5.80	26.6	7.94, 0.00, 1.85	103.4	0.86
	277-303	27	197	93.6	13.78	1.00	4.78	88.6	0.00, 10.89, 0.00	93.6	0.84
	304-367	64	499	105.5	16.91	1.00	4.89	34.8	6.75, 0.00, 0.89	105.5	0.82
	368-413	46	330	76.1	16.65	1.00	5.51	69.5	0.00, 5.83, 0.00	76.1	0.76
	414-526	113	822	43.9	9.59	1.00	5.42	32.1	5.65, 1.73, 0.00	43.9	0.82

Summary of Optimal TLS Group Partition using 9 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 9 Chain Segments (overall rmsd_b=4.72 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>
	2-78	77	569	41.8	9.58	1.00	5.55	35.1	10.25, 0.00, 0.00	41.8	0.83
	79-150	72	498	48.5	15.13	1.00	5.00	29.2	11.54, 0.00, 5.08	48.5	0.71
	151-200	50	371	81.4	8.57	1.00	4.73	71.4	7.62, 0.00, 3.44	81.4	0.90
	201-276	76	569	103.4	13.97	1.00	5.80	26.6	7.94, 0.00, 1.85	103.4	0.86
	277-303	27	197	93.6	13.78	1.00	4.78	88.6	0.00, 10.89, 0.00	93.6	0.84
	304-367	64	499	105.5	16.91	1.00	4.89	34.8	6.75, 0.00, 0.89	105.5	0.82
	368-413	46	330	76.1	16.65	1.00	5.51	69.5	0.00, 5.83, 0.00	76.1	0.76
	414-459	46	331	41.1	7.47	1.00	4.39	29.6	13.19, 0.74, 0.00	41.1	0.84
	460-526	67	491	45.8	10.37	1.00	5.01	31.3	8.49, 0.00, 2.37	45.8	0.80

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=4.56 and residual=1.75)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-78	77	569	41.8	9.58	1.00	5.55	35.1	10.25, 0.00, 0.00	41.8	0.83
	79-150	72	498	48.5	15.13	1.00	5.00	29.2	11.54, 0.00, 5.08	48.5	0.71
	151-200	50	371	81.4	8.57	1.00	4.73	71.4	7.62, 0.00, 3.44	81.4	0.90
	201-276	76	569	103.4	13.97	1.00	5.80	26.6	7.94, 0.00, 1.85	103.4	0.86
	277-303	27	197	93.6	13.78	1.00	4.78	88.6	0.00, 10.89, 0.00	93.6	0.84
	304-367	64	499	105.5	16.91	1.00	4.89	34.8	6.75, 0.00, 0.89	105.5	0.82
	368-403	36	261	82.0	11.67	1.00	4.44	73.0	0.00, 6.93, 0.00	82.0	0.84
	404-444	41	286	45.3	10.03	1.00	4.27	35.4	14.70, 0.00, 1.66	45.3	0.81
	445-494	50	370	45.0	7.92	1.00	3.95	28.0	9.22, 0.00, 4.36	45.0	0.83
	495-526	32	235	43.2	13.10	1.00	4.15	34.9	18.44, 0.00, 0.00	43.2	0.76

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=4.41 and residual=1.64)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-78	77	569	41.8	9.58	1.00	5.55	35.1	10.25, 0.00, 0.00	41.8	0.83
	79-150	72	498	48.5	15.13	1.00	5.00	29.2	11.54, 0.00, 5.08	48.5	0.71
	151-183	33	231	79.0	8.08	1.00	3.51	68.0	8.81, 4.72, 1.75	79.0	0.90
	184-222	39	314	91.2	11.88	1.00	4.67	82.4	6.49, 2.94, 0.00	91.2	0.84
	223-267	45	332	107.3	13.72	1.00	6.00	-248.5	7.88, 0.52, 0.00	107.3	0.86
	268-303	36	260	96.0	13.85	1.00	4.81	84.6	0.00, 11.97, 0.00	96.0	0.84
	304-367	64	499	105.5	16.91	1.00	4.89	34.8	6.75, 0.00, 0.89	105.5	0.82
	368-403	36	261	82.0	11.67	1.00	4.44	73.0	0.00, 6.93, 0.00	82.0	0.84
	404-444	41	286	45.3	10.03	1.00	4.27	35.4	14.70, 0.00, 1.66	45.3	0.81
	445-494	50	370	45.0	7.92	1.00	3.95	28.0	9.22, 0.00, 4.36	45.0	0.83
	495-526	32	235	43.2	13.10	1.00	4.15	34.9	18.44, 0.00, 0.00	43.2	0.76

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=4.27 and residual=1.54)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-78	77	569	41.8	9.58	1.00	5.55	35.1	10.25, 0.00, 0.00	41.8	0.83
	79-150	72	498	48.5	15.13	1.00	5.00	29.2	11.54, 0.00, 5.08	48.5	0.71
	151-183	33	231	79.0	8.08	1.00	3.51	68.0	8.81, 4.72, 1.75	79.0	0.90
	184-222	39	314	91.2	11.88	1.00	4.67	82.4	6.49, 2.94, 0.00	91.2	0.84
	223-246	24	179	111.1	10.36	1.00	4.65	109.2	0.00, 2.90, 0.00	111.1	0.90
	247-267	21	153	102.8	15.66	1.00	4.52	98.9	10.44, 0.00, 0.00	102.8	0.82
	268-303	36	260	96.0	13.85	1.00	4.81	84.6	0.00, 11.97, 0.00	96.0	0.84
	304-367	64	499	105.5	16.91	1.00	4.89	34.8	6.75, 0.00, 0.89	105.5	0.82
	368-403	36	261	82.0	11.67	1.00	4.44	73.0	0.00, 6.93, 0.00	82.0	0.84
	404-444	41	286	45.3	10.03	1.00	4.27	35.4	14.70, 0.00, 1.66	45.3	0.81
	445-494	50	370	45.0	7.92	1.00	3.95	28.0	9.22, 0.00, 4.36	45.0	0.83
	495-526	32	235	43.2	13.10	1.00	4.15	34.9	18.44, 0.00, 0.00	43.2	0.76

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=4.14 and residual=1.44)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-78	77	569	41.8	9.58	1.00	5.55	35.1	10.25, 0.00, 0.00	41.8	0.83
	79-150	72	498	48.5	15.13	1.00	5.00	29.2	11.54, 0.00, 5.08	48.5	0.71
	151-183	33	231	79.0	8.08	1.00	3.51	68.0	8.81, 4.72, 1.75	79.0	0.90
	184-222	39	314	91.2	11.88	1.00	4.67	82.4	6.49, 2.94, 0.00	91.2	0.84
	223-246	24	179	111.1	10.36	1.00	4.65	109.2	0.00, 2.90, 0.00	111.1	0.90
	247-267	21	153	102.8	15.66	1.00	4.52	98.9	10.44, 0.00, 0.00	102.8	0.82
	268-303	36	260	96.0	13.85	1.00	4.81	84.6	0.00, 11.97, 0.00	96.0	0.84
	304-339	36	272	96.4	16.71	1.00	4.11	71.4	9.24, 0.00, 3.62	96.4	0.81
	340-367	28	227	116.3	8.92	1.00	3.20	114.0	0.00, 5.18, 0.00	116.3	0.91
	368-403	36	261	82.0	11.67	1.00	4.44	73.0	0.00, 6.93, 0.00	82.0	0.84
	404-444	41	286	45.3	10.03	1.00	4.27	35.4	14.70, 0.00, 1.66	45.3	0.81
	445-494	50	370	45.0	7.92	1.00	3.95	28.0	9.22, 0.00, 4.36	45.0	0.83
	495-526	32	235	43.2	13.10	1.00	4.15	34.9	18.44, 0.00, 0.00	43.2	0.76

Summary of Optimal TLS Group Partition using 14 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 14 Chain Segments (overall rmsd_b=4.02 and residual=1.36)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-52	51	370	41.1	10.02	1.00	5.13	32.8	9.20, 0.01, 0.00	41.1	0.80
	53-78	26	199	43.0	8.56	1.00	3.81	32.9	23.71, 0.00, 5.02	43.0	0.82
	79-150	72	498	48.5	15.13	1.00	5.00	29.2	11.54, 0.00, 5.08	48.5	0.71
	151-183	33	231	79.0	8.08	1.00	3.51	68.0	8.81, 4.72, 1.75	79.0	0.90
	184-222	39	314	91.2	11.88	1.00	4.67	82.4	6.49, 2.94, 0.00	91.2	0.84
	223-246	24	179	111.1	10.36	1.00	4.65	109.2	0.00, 2.90, 0.00	111.1	0.90
	247-267	21	153	102.8	15.66	1.00	4.52	98.9	10.44, 0.00, 0.00	102.8	0.82
	268-303	36	260	96.0	13.85	1.00	4.81	84.6	0.00, 11.97, 0.00	96.0	0.84
	304-339	36	272	96.4	16.71	1.00	4.11	71.4	9.24, 0.00, 3.62	96.4	0.81
	340-367	28	227	116.3	8.92	1.00	3.20	114.0	0.00, 5.18, 0.00	116.3	0.91
	368-403	36	261	82.0	11.67	1.00	4.44	73.0	0.00, 6.93, 0.00	82.0	0.84
	404-444	41	286	45.3	10.03	1.00	4.27	35.4	14.70, 0.00, 1.66	45.3	0.81
	445-494	50	370	45.0	7.92	1.00	3.95	28.0	9.22, 0.00, 4.36	45.0	0.83
	495-526	32	235	43.2	13.10	1.00	4.15	34.9	18.44, 0.00, 0.00	43.2	0.76

Summary of Optimal TLS Group Partition using 15 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 15 Chain Segments (overall rmsd_b=3.92 and residual=1.29)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-52	51	370	41.1	10.02	1.00	5.13	32.8	9.20, 0.01, 0.00	41.1	0.80
	53-78	26	199	43.0	8.56	1.00	3.81	32.9	23.71, 0.00, 5.02	43.0	0.82
	79-150	72	498	48.5	15.13	1.00	5.00	29.2	11.54, 0.00, 5.08	48.5	0.71
	151-183	33	231	79.0	8.08	1.00	3.51	68.0	8.81, 4.72, 1.75	79.0	0.90
	184-222	39	314	91.2	11.88	1.00	4.67	82.4	6.49, 2.94, 0.00	91.2	0.84
	223-246	24	179	111.1	10.36	1.00	4.65	109.2	0.00, 2.90, 0.00	111.1	0.90
	247-267	21	153	102.8	15.66	1.00	4.52	98.9	10.44, 0.00, 0.00	102.8	0.82
	268-283	16	111	101.4	11.60	1.00	2.79	80.6	7.73, 0.00, 2.11	101.4	0.88
	284-303	20	149	92.0	14.02	1.00	3.15	84.2	0.00, 4.71, 10.35	92.0	0.84
	304-339	36	272	96.4	16.71	1.00	4.11	71.4	9.24, 0.00, 3.62	96.4	0.81
	340-367	28	227	116.3	8.92	1.00	3.20	114.0	0.00, 5.18, 0.00	116.3	0.91
	368-403	36	261	82.0	11.67	1.00	4.44	73.0	0.00, 6.93, 0.00	82.0	0.84
	404-444	41	286	45.3	10.03	1.00	4.27	35.4	14.70, 0.00, 1.66	45.3	0.81
	445-494	50	370	45.0	7.92	1.00	3.95	28.0	9.22, 0.00, 4.36	45.0	0.83
	495-526	32	235	43.2	13.10	1.00	4.15	34.9	18.44, 0.00, 0.00	43.2	0.76

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=3.81 and residual=1.22)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-52	51	370	41.1	10.02	1.00	5.13	32.8	9.20, 0.01, 0.00	41.1	0.80
	53-78	26	199	43.0	8.56	1.00	3.81	32.9	23.71, 0.00, 5.02	43.0	0.82
	79-139	61	422	44.1	11.49	1.00	4.89	29.0	11.27, 0.00, 5.40	44.1	0.77
	140-177	38	267	75.8	7.26	1.00	3.63	65.8	16.48, 2.12, 0.00	75.8	0.91
	178-200	23	180	86.2	7.71	1.00	4.06	76.4	5.87, 3.01, 0.00	86.2	0.91
	201-225	25	196	96.8	11.92	1.00	3.62	66.8	11.09, 2.07, 0.00	96.8	0.86
	226-246	21	157	112.4	10.26	1.00	4.51	110.8	0.00, 2.55, 0.00	112.4	0.91
	247-267	21	153	102.8	15.66	1.00	4.52	98.9	10.44, 0.00, 0.00	102.8	0.82
	268-283	16	111	101.4	11.60	1.00	2.79	80.6	7.73, 0.00, 2.11	101.4	0.88
	284-303	20	149	92.0	14.02	1.00	3.15	84.2	0.00, 4.71, 10.35	92.0	0.84
	304-339	36	272	96.4	16.71	1.00	4.11	71.4	9.24, 0.00, 3.62	96.4	0.81
	340-367	28	227	116.3	8.92	1.00	3.20	114.0	0.00, 5.18, 0.00	116.3	0.91
	368-403	36	261	82.0	11.67	1.00	4.44	73.0	0.00, 6.93, 0.00	82.0	0.84
	404-444	41	286	45.3	10.03	1.00	4.27	35.4	14.70, 0.00, 1.66	45.3	0.81
	445-494	50	370	45.0	7.92	1.00	3.95	28.0	9.22, 0.00, 4.36	45.0	0.83
	495-526	32	235	43.2	13.10	1.00	4.15	34.9	18.44, 0.00, 0.00	43.2	0.76

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=3.71 and residual=1.16)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-17	16	115	43.0	6.40	1.00	4.39	38.5	18.53, 0.00, 0.00	43.0	0.88
	18-72	55	409	40.6	10.20	1.00	4.94	32.0	8.91, 1.46, 0.00	40.6	0.78
	73-86	14	95	51.8	5.90	1.00	3.74	49.7	0.00, 23.39, 0.00	51.8	0.90
	87-139	53	372	42.7	11.48	1.00	5.02	28.2	10.85, 0.00, 5.50	42.7	0.75
	140-177	38	267	75.8	7.26	1.00	3.63	65.8	16.48, 2.12, 0.00	75.8	0.91
	178-200	23	180	86.2	7.71	1.00	4.06	76.4	5.87, 3.01, 0.00	86.2	0.91
	201-225	25	196	96.8	11.92	1.00	3.62	66.8	11.09, 2.07, 0.00	96.8	0.86
	226-246	21	157	112.4	10.26	1.00	4.51	110.8	0.00, 2.55, 0.00	112.4	0.91
	247-267	21	153	102.8	15.66	1.00	4.52	98.9	10.44, 0.00, 0.00	102.8	0.82
	268-283	16	111	101.4	11.60	1.00	2.79	80.6	7.73, 0.00, 2.11	101.4	0.88
	284-303	20	149	92.0	14.02	1.00	3.15	84.2	0.00, 4.71, 10.35	92.0	0.84
	304-339	36	272	96.4	16.71	1.00	4.11	71.4	9.24, 0.00, 3.62	96.4	0.81
	340-367	28	227	116.3	8.92	1.00	3.20	114.0	0.00, 5.18, 0.00	116.3	0.91
	368-403	36	261	82.0	11.67	1.00	4.44	73.0	0.00, 6.93, 0.00	82.0	0.84
	404-444	41	286	45.3	10.03	1.00	4.27	35.4	14.70, 0.00, 1.66	45.3	0.81
	445-494	50	370	45.0	7.92	1.00	3.95	28.0	9.22, 0.00, 4.36	45.0	0.83
	495-526	32	235	43.2	13.10	1.00	4.15	34.9	18.44, 0.00, 0.00	43.2	0.76

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=3.60 and residual=1.09)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-17	16	115	43.0	6.40	1.00	4.39	38.5	18.53, 0.00, 0.00	43.0	0.88
	18-72	55	409	40.6	10.20	1.00	4.94	32.0	8.91, 1.46, 0.00	40.6	0.78
	73-86	14	95	51.8	5.90	1.00	3.74	49.7	0.00, 23.39, 0.00	51.8	0.90
	87-139	53	372	42.7	11.48	1.00	5.02	28.2	10.85, 0.00, 5.50	42.7	0.75
	140-177	38	267	75.8	7.26	1.00	3.63	65.8	16.48, 2.12, 0.00	75.8	0.91
	178-200	23	180	86.2	7.71	1.00	4.06	76.4	5.87, 3.01, 0.00	86.2	0.91
	201-225	25	196	96.8	11.92	1.00	3.62	66.8	11.09, 2.07, 0.00	96.8	0.86
	226-246	21	157	112.4	10.26	1.00	4.51	110.8	0.00, 2.55, 0.00	112.4	0.91
	247-267	21	153	102.8	15.66	1.00	4.52	98.9	10.44, 0.00, 0.00	102.8	0.82
	268-283	16	111	101.4	11.60	1.00	2.79	80.6	7.73, 0.00, 2.11	101.4	0.88
	284-303	20	149	92.0	14.02	1.00	3.15	84.2	0.00, 4.71, 10.35	92.0	0.84
	304-339	36	272	96.4	16.71	1.00	4.11	71.4	9.24, 0.00, 3.62	96.4	0.81
	340-365	26	209	116.9	8.98	1.00	2.88	115.1	0.00, 5.19, 0.00	116.9	0.91
	366-379	14	98	86.1	14.17	1.00	3.20	78.7	9.95, 0.00, 0.30	86.1	0.83
	380-413	34	250	74.6	18.10	1.00	4.53	69.7	0.00, 14.99, 0.00	74.6	0.75
	414-447	34	241	42.7	7.48	1.00	4.03	34.7	21.62, 1.59, 0.00	42.7	0.84
	448-494	47	346	45.2	7.74	1.00	3.80	31.8	0.00, 9.27, 5.60	45.2	0.83
	495-526	32	235	43.2	13.10	1.00	4.15	34.9	18.44, 0.00, 0.00	43.2	0.76

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=3.51 and residual=1.04)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-17	16	115	43.0	6.40	1.00	4.39	38.5	18.53, 0.00, 0.00	43.0	0.88
	18-72	55	409	40.6	10.20	1.00	4.94	32.0	8.91, 1.46, 0.00	40.6	0.78
	73-86	14	95	51.8	5.90	1.00	3.74	49.7	0.00, 23.39, 0.00	51.8	0.90
	87-139	53	372	42.7	11.48	1.00	5.02	28.2	10.85, 0.00, 5.50	42.7	0.75
	140-177	38	267	75.8	7.26	1.00	3.63	65.8	16.48, 2.12, 0.00	75.8	0.91
	178-200	23	180	86.2	7.71	1.00	4.06	76.4	5.87, 3.01, 0.00	86.2	0.91
	201-225	25	196	96.8	11.92	1.00	3.62	66.8	11.09, 2.07, 0.00	96.8	0.86
	226-246	21	157	112.4	10.26	1.00	4.51	110.8	0.00, 2.55, 0.00	112.4	0.91
	247-267	21	153	102.8	15.66	1.00	4.52	98.9	10.44, 0.00, 0.00	102.8	0.82
	268-283	16	111	101.4	11.60	1.00	2.79	80.6	7.73, 0.00, 2.11	101.4	0.88
	284-303	20	149	92.0	14.02	1.00	3.15	84.2	0.00, 4.71, 10.35	92.0	0.84
	304-339	36	272	96.4	16.71	1.00	4.11	71.4	9.24, 0.00, 3.62	96.4	0.81
	340-365	26	209	116.9	8.98	1.00	2.88	115.1	0.00, 5.19, 0.00	116.9	0.91
	366-379	14	98	86.1	14.17	1.00	3.20	78.7	9.95, 0.00, 0.30	86.1	0.83
	380-413	34	250	74.6	18.10	1.00	4.53	69.7	0.00, 14.99, 0.00	74.6	0.75
	414-447	34	241	42.7	7.48	1.00	4.03	34.7	21.62, 1.59, 0.00	42.7	0.84
	448-494	47	346	45.2	7.74	1.00	3.80	31.8	0.00, 9.27, 5.60	45.2	0.83
	495-517	23	166	39.0	4.13	1.00	1.92	34.7	20.68, 0.00, 0.94	39.0	0.90
	518-526	9	69	53.4	19.93	1.00	2.79	29.6	19.93, 16.62, 2.27	53.4	0.68

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=3.42 and residual=0.99)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-17	16	115	43.0	6.40	1.00	4.39	38.5	18.53, 0.00, 0.00	43.0	0.88
	18-52	35	255	40.3	11.18	1.00	4.53	31.2	8.63, 3.25, 0.00	40.3	0.76
	53-78	26	199	43.0	8.56	1.00	3.81	32.9	23.71, 0.00, 5.02	43.0	0.82
	79-99	21	137	40.9	11.47	1.00	2.52	28.9	0.00, 4.67, 7.78	40.9	0.74
	100-139	40	285	45.7	11.17	1.00	4.70	30.7	18.17, 0.00, 4.54	45.7	0.78
	140-177	38	267	75.8	7.26	1.00	3.63	65.8	16.48, 2.12, 0.00	75.8	0.91
	178-200	23	180	86.2	7.71	1.00	4.06	76.4	5.87, 3.01, 0.00	86.2	0.91
	201-225	25	196	96.8	11.92	1.00	3.62	66.8	11.09, 2.07, 0.00	96.8	0.86
	226-246	21	157	112.4	10.26	1.00	4.51	110.8	0.00, 2.55, 0.00	112.4	0.91
	247-267	21	153	102.8	15.66	1.00	4.52	98.9	10.44, 0.00, 0.00	102.8	0.82
	268-283	16	111	101.4	11.60	1.00	2.79	80.6	7.73, 0.00, 2.11	101.4	0.88
	284-303	20	149	92.0	14.02	1.00	3.15	84.2	0.00, 4.71, 10.35	92.0	0.84
	304-339	36	272	96.4	16.71	1.00	4.11	71.4	9.24, 0.00, 3.62	96.4	0.81
	340-365	26	209	116.9	8.98	1.00	2.88	115.1	0.00, 5.19, 0.00	116.9	0.91
	366-379	14	98	86.1	14.17	1.00	3.20	78.7	9.95, 0.00, 0.30	86.1	0.83
	380-413	34	250	74.6	18.10	1.00	4.53	69.7	0.00, 14.99, 0.00	74.6	0.75
	414-447	34	241	42.7	7.48	1.00	4.03	34.7	21.62, 1.59, 0.00	42.7	0.84
	448-494	47	346	45.2	7.74	1.00	3.80	31.8	0.00, 9.27, 5.60	45.2	0.83
	495-517	23	166	39.0	4.13	1.00	1.92	34.7	20.68, 0.00, 0.94	39.0	0.90
	518-526	9	69	53.4	19.93	1.00	2.79	29.6	19.93, 16.62, 2.27	53.4	0.68

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1 Released 11 February 2010