1KP8: Chain K TLS Analysis

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1

1KP8: Chain K TLS Analysis

Chain K 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 K

# 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=14.21 and residual=17.00)
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	88.4	43.55	1.00	14.34	71.2	3.34, 0.00, 0.00	88.4	0.57

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=10.85 and residual=9.92)
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	46.2	10.90	1.00	6.64	35.8	3.80, 0.96, 0.00	46.2	0.81
	139-526	388	2870	102.9	41.05	1.00	13.71	94.2	3.06, 0.00, 0.00	102.9	0.63

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=6.53 and residual=3.59)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-145	144	1032	47.9	13.37	1.00	6.60	36.9	3.83, 1.05, 0.00	47.9	0.78
	146-395	250	1873	129.9	19.30	1.00	7.09	122.6	4.93, 0.00, 0.00	129.9	0.84
	396-526	131	950	50.8	13.62	1.00	6.16	33.5	6.55, 2.52, 0.00	50.8	0.77

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=5.72 and residual=2.75)
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	44.8	10.64	1.00	6.43	32.9	6.28, 0.54, 0.00	44.8	0.80
	105-180	76	537	73.6	23.03	1.00	5.72	38.9	7.21, 2.64, 0.00	73.6	0.68
	181-395	215	1626	135.3	13.97	1.00	5.93	128.6	4.25, 0.00, 0.00	135.3	0.89
	396-526	131	950	50.8	13.62	1.00	6.16	33.5	6.55, 2.52, 0.00	50.8	0.77

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=5.07 and residual=2.16)
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	44.8	10.64	1.00	6.43	32.9	6.28, 0.54, 0.00	44.8	0.80
	105-193	89	633	80.0	26.12	1.00	6.01	37.6	6.07, 2.14, 0.00	80.0	0.67
	194-371	178	1360	139.8	10.02	1.00	4.58	130.4	3.87, 0.49, 0.00	139.8	0.92
	372-413	42	298	94.2	21.61	1.00	4.48	90.5	0.00, 5.35, 0.00	94.2	0.77
	414-526	113	822	47.3	9.33	1.00	5.41	34.8	5.40, 2.27, 0.00	47.3	0.83

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=4.62 and residual=1.80)
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	44.6	10.09	1.00	5.78	38.1	10.17, 0.00, 0.00	44.6	0.82
	79-150	72	498	54.0	16.69	1.00	4.62	33.0	11.63, 0.00, 4.62	54.0	0.70
	151-199	49	363	105.1	11.67	1.00	5.45	93.2	0.00, 2.36, 7.81	105.1	0.90
	200-371	172	1305	140.7	9.22	1.00	4.23	117.0	3.36, 0.56, 0.00	140.7	0.93
	372-413	42	298	94.2	21.61	1.00	4.48	90.5	0.00, 5.35, 0.00	94.2	0.77
	414-526	113	822	47.3	9.33	1.00	5.41	34.8	5.40, 2.27, 0.00	47.3	0.83

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=4.25 and residual=1.52)
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	44.6	10.09	1.00	5.78	38.1	10.17, 0.00, 0.00	44.6	0.82
	79-150	72	498	54.0	16.69	1.00	4.62	33.0	11.63, 0.00, 4.62	54.0	0.70
	151-183	33	231	98.1	8.33	1.00	3.33	88.5	8.18, 0.00, 2.26	98.1	0.92
	184-283	100	757	140.9	13.30	1.00	4.53	139.0	1.86, 0.00, 0.00	140.9	0.90
	284-371	88	680	135.9	7.22	1.00	3.06	119.2	2.95, 1.21, 0.14	135.9	0.94
	372-413	42	298	94.2	21.61	1.00	4.48	90.5	0.00, 5.35, 0.00	94.2	0.77
	414-526	113	822	47.3	9.33	1.00	5.41	34.8	5.40, 2.27, 0.00	47.3	0.83

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=4.00 and residual=1.35)
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	44.6	10.09	1.00	5.78	38.1	10.17, 0.00, 0.00	44.6	0.82
	79-150	72	498	54.0	16.69	1.00	4.62	33.0	11.63, 0.00, 4.62	54.0	0.70
	151-183	33	231	98.1	8.33	1.00	3.33	88.5	8.18, 0.00, 2.26	98.1	0.92
	184-283	100	757	140.9	13.30	1.00	4.53	139.0	1.86, 0.00, 0.00	140.9	0.90
	284-371	88	680	135.9	7.22	1.00	3.06	119.2	2.95, 1.21, 0.14	135.9	0.94
	372-413	42	298	94.2	21.61	1.00	4.48	90.5	0.00, 5.35, 0.00	94.2	0.77
	414-445	32	228	47.7	8.54	1.00	5.08	38.1	25.66, 2.03, 0.00	47.7	0.85
	446-526	81	594	47.1	9.62	1.00	4.53	31.8	7.65, 0.00, 3.21	47.1	0.81

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=3.80 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>
	2-78	77	569	44.6	10.09	1.00	5.78	38.1	10.17, 0.00, 0.00	44.6	0.82
	79-150	72	498	54.0	16.69	1.00	4.62	33.0	11.63, 0.00, 4.62	54.0	0.70
	151-183	33	231	98.1	8.33	1.00	3.33	88.5	8.18, 0.00, 2.26	98.1	0.92
	184-208	25	208	125.1	10.87	1.00	2.43	119.6	3.74, 0.00, 0.09	125.1	0.90
	209-287	79	585	145.8	8.97	1.00	3.20	144.9	0.00, 1.25, 0.00	145.8	0.93
	288-371	84	644	136.2	7.30	1.00	2.87	115.5	3.17, 0.97, 0.00	136.2	0.94
	372-413	42	298	94.2	21.61	1.00	4.48	90.5	0.00, 5.35, 0.00	94.2	0.77
	414-445	32	228	47.7	8.54	1.00	5.08	38.1	25.66, 2.03, 0.00	47.7	0.85
	446-526	81	594	47.1	9.62	1.00	4.53	31.8	7.65, 0.00, 3.21	47.1	0.81

Summary of Optimal TLS Group Partition using 10 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 10 Chain Segments (overall rmsd_b=3.63 and residual=1.11)
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	44.6	10.09	1.00	5.78	38.1	10.17, 0.00, 0.00	44.6	0.82
	79-150	72	498	54.0	16.69	1.00	4.62	33.0	11.63, 0.00, 4.62	54.0	0.70
	151-183	33	231	98.1	8.33	1.00	3.33	88.5	8.18, 0.00, 2.26	98.1	0.92
	184-208	25	208	125.1	10.87	1.00	2.43	119.6	3.74, 0.00, 0.09	125.1	0.90
	209-287	79	585	145.8	8.97	1.00	3.20	144.9	0.00, 1.25, 0.00	145.8	0.93
	288-371	84	644	136.2	7.30	1.00	2.87	115.5	3.17, 0.97, 0.00	136.2	0.94
	372-413	42	298	94.2	21.61	1.00	4.48	90.5	0.00, 5.35, 0.00	94.2	0.77
	414-445	32	228	47.7	8.54	1.00	5.08	38.1	25.66, 2.03, 0.00	47.7	0.85
	446-513	68	495	46.5	7.73	1.00	3.62	31.2	7.05, 3.06, 0.33	46.5	0.83
	514-526	13	99	50.1	15.67	1.00	3.00	34.3	24.95, 0.00, 9.35	50.1	0.71

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=3.50 and residual=1.03)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-16	15	107	44.9	6.01	1.00	4.14	41.3	13.91, 0.00, 0.00	44.9	0.88
	17-78	62	462	44.5	10.81	1.00	5.29	34.7	9.94, 2.43, 0.00	44.5	0.79
	79-150	72	498	54.0	16.69	1.00	4.62	33.0	11.63, 0.00, 4.62	54.0	0.70
	151-183	33	231	98.1	8.33	1.00	3.33	88.5	8.18, 0.00, 2.26	98.1	0.92
	184-208	25	208	125.1	10.87	1.00	2.43	119.6	3.74, 0.00, 0.09	125.1	0.90
	209-287	79	585	145.8	8.97	1.00	3.20	144.9	0.00, 1.25, 0.00	145.8	0.93
	288-371	84	644	136.2	7.30	1.00	2.87	115.5	3.17, 0.97, 0.00	136.2	0.94
	372-413	42	298	94.2	21.61	1.00	4.48	90.5	0.00, 5.35, 0.00	94.2	0.77
	414-445	32	228	47.7	8.54	1.00	5.08	38.1	25.66, 2.03, 0.00	47.7	0.85
	446-513	68	495	46.5	7.73	1.00	3.62	31.2	7.05, 3.06, 0.33	46.5	0.83
	514-526	13	99	50.1	15.67	1.00	3.00	34.3	24.95, 0.00, 9.35	50.1	0.71

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=3.37 and residual=0.96)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-18	17	126	45.1	6.90	1.00	4.62	41.4	16.62, 0.00, 0.00	45.1	0.88
	19-48	30	212	41.9	12.50	1.00	3.08	33.1	0.00, 7.02, 4.20	41.9	0.73
	49-78	30	231	46.8	8.32	1.00	3.71	37.9	21.13, 3.07, 0.00	46.8	0.84
	79-150	72	498	54.0	16.69	1.00	4.62	33.0	11.63, 0.00, 4.62	54.0	0.70
	151-183	33	231	98.1	8.33	1.00	3.33	88.5	8.18, 0.00, 2.26	98.1	0.92
	184-208	25	208	125.1	10.87	1.00	2.43	119.6	3.74, 0.00, 0.09	125.1	0.90
	209-287	79	585	145.8	8.97	1.00	3.20	144.9	0.00, 1.25, 0.00	145.8	0.93
	288-371	84	644	136.2	7.30	1.00	2.87	115.5	3.17, 0.97, 0.00	136.2	0.94
	372-413	42	298	94.2	21.61	1.00	4.48	90.5	0.00, 5.35, 0.00	94.2	0.77
	414-445	32	228	47.7	8.54	1.00	5.08	38.1	25.66, 2.03, 0.00	47.7	0.85
	446-513	68	495	46.5	7.73	1.00	3.62	31.2	7.05, 3.06, 0.33	46.5	0.83
	514-526	13	99	50.1	15.67	1.00	3.00	34.3	24.95, 0.00, 9.35	50.1	0.71

Summary of Optimal TLS Group Partition using 13 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 13 Chain Segments (overall rmsd_b=3.27 and residual=0.90)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-18	17	126	45.1	6.90	1.00	4.62	41.4	16.62, 0.00, 0.00	45.1	0.88
	19-48	30	212	41.9	12.50	1.00	3.08	33.1	0.00, 7.02, 4.20	41.9	0.73
	49-78	30	231	46.8	8.32	1.00	3.71	37.9	21.13, 3.07, 0.00	46.8	0.84
	79-150	72	498	54.0	16.69	1.00	4.62	33.0	11.63, 0.00, 4.62	54.0	0.70
	151-183	33	231	98.1	8.33	1.00	3.33	88.5	8.18, 0.00, 2.26	98.1	0.92
	184-208	25	208	125.1	10.87	1.00	2.43	119.6	3.74, 0.00, 0.09	125.1	0.90
	209-287	79	585	145.8	8.97	1.00	3.20	144.9	0.00, 1.25, 0.00	145.8	0.93
	288-371	84	644	136.2	7.30	1.00	2.87	115.5	3.17, 0.97, 0.00	136.2	0.94
	372-413	42	298	94.2	21.61	1.00	4.48	90.5	0.00, 5.35, 0.00	94.2	0.77
	414-445	32	228	47.7	8.54	1.00	5.08	38.1	25.66, 2.03, 0.00	47.7	0.85
	446-482	37	265	45.5	7.95	1.00	2.91	26.5	10.03, 2.21, 0.00	45.5	0.82
	483-516	34	253	47.2	7.32	1.00	2.98	33.0	6.72, 1.97, 0.00	47.2	0.84
	517-526	10	76	52.8	16.81	1.00	2.13	33.1	0.00, 14.14, 17.88	52.8	0.68

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=3.16 and residual=0.84)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-18	17	126	45.1	6.90	1.00	4.62	41.4	16.62, 0.00, 0.00	45.1	0.88
	19-48	30	212	41.9	12.50	1.00	3.08	33.1	0.00, 7.02, 4.20	41.9	0.73
	49-78	30	231	46.8	8.32	1.00	3.71	37.9	21.13, 3.07, 0.00	46.8	0.84
	79-150	72	498	54.0	16.69	1.00	4.62	33.0	11.63, 0.00, 4.62	54.0	0.70
	151-183	33	231	98.1	8.33	1.00	3.33	88.5	8.18, 0.00, 2.26	98.1	0.92
	184-208	25	208	125.1	10.87	1.00	2.43	119.6	3.74, 0.00, 0.09	125.1	0.90
	209-287	79	585	145.8	8.97	1.00	3.20	144.9	0.00, 1.25, 0.00	145.8	0.93
	288-371	84	644	136.2	7.30	1.00	2.87	115.5	3.17, 0.97, 0.00	136.2	0.94
	372-400	29	207	106.1	10.67	1.00	3.15	100.4	0.00, 7.98, 0.00	106.1	0.90
	401-422	22	149	57.8	16.30	1.00	2.96	41.3	13.44, 3.80, 0.00	57.8	0.74
	423-444	22	159	48.6	8.44	1.00	2.87	37.7	13.77, 8.31, 0.00	48.6	0.84
	445-482	38	276	45.9	8.55	1.00	3.48	28.2	10.22, 4.10, 0.00	45.9	0.82
	483-516	34	253	47.2	7.32	1.00	2.98	33.0	6.72, 1.97, 0.00	47.2	0.84
	517-526	10	76	52.8	16.81	1.00	2.13	33.1	0.00, 14.14, 17.88	52.8	0.68

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=3.06 and residual=0.79)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-18	17	126	45.1	6.90	1.00	4.62	41.4	16.62, 0.00, 0.00	45.1	0.88
	19-48	30	212	41.9	12.50	1.00	3.08	33.1	0.00, 7.02, 4.20	41.9	0.73
	49-78	30	231	46.8	8.32	1.00	3.71	37.9	21.13, 3.07, 0.00	46.8	0.84
	79-150	72	498	54.0	16.69	1.00	4.62	33.0	11.63, 0.00, 4.62	54.0	0.70
	151-179	29	208	96.2	6.35	1.00	3.26	87.8	9.37, 2.50, 0.00	96.2	0.94
	180-201	22	169	118.3	5.54	1.00	1.78	112.7	5.03, 0.79, 0.00	118.3	0.95
	202-226	25	199	140.9	2.15	1.00	1.40	139.2	0.00, 3.14, 0.00	140.9	0.99
	227-283	57	412	148.6	8.80	1.00	3.19	148.6	0.00, 0.00, 0.00	148.6	0.93
	284-371	88	680	135.9	7.22	1.00	3.06	119.2	2.95, 1.21, 0.14	135.9	0.94
	372-400	29	207	106.1	10.67	1.00	3.15	100.4	0.00, 7.98, 0.00	106.1	0.90
	401-422	22	149	57.8	16.30	1.00	2.96	41.3	13.44, 3.80, 0.00	57.8	0.74
	423-444	22	159	48.6	8.44	1.00	2.87	37.7	13.77, 8.31, 0.00	48.6	0.84
	445-482	38	276	45.9	8.55	1.00	3.48	28.2	10.22, 4.10, 0.00	45.9	0.82
	483-516	34	253	47.2	7.32	1.00	2.98	33.0	6.72, 1.97, 0.00	47.2	0.84
	517-526	10	76	52.8	16.81	1.00	2.13	33.1	0.00, 14.14, 17.88	52.8	0.68

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=2.95 and residual=0.73)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-18	17	126	45.1	6.90	1.00	4.62	41.4	16.62, 0.00, 0.00	45.1	0.88
	19-48	30	212	41.9	12.50	1.00	3.08	33.1	0.00, 7.02, 4.20	41.9	0.73
	49-78	30	231	46.8	8.32	1.00	3.71	37.9	21.13, 3.07, 0.00	46.8	0.84
	79-150	72	498	54.0	16.69	1.00	4.62	33.0	11.63, 0.00, 4.62	54.0	0.70
	151-179	29	208	96.2	6.35	1.00	3.26	87.8	9.37, 2.50, 0.00	96.2	0.94
	180-201	22	169	118.3	5.54	1.00	1.78	112.7	5.03, 0.79, 0.00	118.3	0.95
	202-226	25	199	140.9	2.15	1.00	1.40	139.2	0.00, 3.14, 0.00	140.9	0.99
	227-277	51	373	150.7	6.35	1.00	3.09	150.6	0.14, 0.00, 0.00	150.7	0.95
	278-356	79	591	136.0	6.99	1.00	2.69	130.2	2.67, 0.00, 0.41	136.0	0.94
	357-377	21	161	128.3	12.42	1.00	2.14	128.3	0.00, 0.01, 0.00	128.3	0.90
	378-400	23	174	105.6	11.21	1.00	3.14	103.9	0.00, 6.93, 0.00	105.6	0.89
	401-422	22	149	57.8	16.30	1.00	2.96	41.3	13.44, 3.80, 0.00	57.8	0.74
	423-444	22	159	48.6	8.44	1.00	2.87	37.7	13.77, 8.31, 0.00	48.6	0.84
	445-482	38	276	45.9	8.55	1.00	3.48	28.2	10.22, 4.10, 0.00	45.9	0.82
	483-516	34	253	47.2	7.32	1.00	2.98	33.0	6.72, 1.97, 0.00	47.2	0.84
	517-526	10	76	52.8	16.81	1.00	2.13	33.1	0.00, 14.14, 17.88	52.8	0.68

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=2.84 and residual=0.68)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-18	17	126	45.1	6.90	1.00	4.62	41.4	16.62, 0.00, 0.00	45.1	0.88
	19-48	30	212	41.9	12.50	1.00	3.08	33.1	0.00, 7.02, 4.20	41.9	0.73
	49-78	30	231	46.8	8.32	1.00	3.71	37.9	21.13, 3.07, 0.00	46.8	0.84
	79-150	72	498	54.0	16.69	1.00	4.62	33.0	11.63, 0.00, 4.62	54.0	0.70
	151-179	29	208	96.2	6.35	1.00	3.26	87.8	9.37, 2.50, 0.00	96.2	0.94
	180-201	22	169	118.3	5.54	1.00	1.78	112.7	5.03, 0.79, 0.00	118.3	0.95
	202-226	25	199	140.9	2.15	1.00	1.40	139.2	0.00, 3.14, 0.00	140.9	0.99
	227-272	46	340	151.9	5.10	1.00	2.72	151.3	1.32, 0.00, 0.00	151.9	0.96
	273-295	23	169	132.3	4.02	1.00	0.99	130.1	0.00, 5.62, 0.00	132.3	0.97
	296-356	61	455	137.6	7.20	1.00	2.25	133.8	2.35, 0.25, 0.00	137.6	0.94
	357-377	21	161	128.3	12.42	1.00	2.14	128.3	0.00, 0.01, 0.00	128.3	0.90
	378-400	23	174	105.6	11.21	1.00	3.14	103.9	0.00, 6.93, 0.00	105.6	0.89
	401-422	22	149	57.8	16.30	1.00	2.96	41.3	13.44, 3.80, 0.00	57.8	0.74
	423-444	22	159	48.6	8.44	1.00	2.87	37.7	13.77, 8.31, 0.00	48.6	0.84
	445-482	38	276	45.9	8.55	1.00	3.48	28.2	10.22, 4.10, 0.00	45.9	0.82
	483-516	34	253	47.2	7.32	1.00	2.98	33.0	6.72, 1.97, 0.00	47.2	0.84
	517-526	10	76	52.8	16.81	1.00	2.13	33.1	0.00, 14.14, 17.88	52.8	0.68

Summary of Optimal TLS Group Partition using 18 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 18 Chain Segments (overall rmsd_b=2.74 and residual=0.63)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-18	17	126	45.1	6.90	1.00	4.62	41.4	16.62, 0.00, 0.00	45.1	0.88
	19-48	30	212	41.9	12.50	1.00	3.08	33.1	0.00, 7.02, 4.20	41.9	0.73
	49-78	30	231	46.8	8.32	1.00	3.71	37.9	21.13, 3.07, 0.00	46.8	0.84
	79-126	48	330	45.0	10.00	1.00	4.05	33.7	10.09, 0.00, 4.35	45.0	0.80
	127-150	24	168	71.7	12.53	1.00	3.86	53.1	19.15, 5.97, 0.00	71.7	0.81
	151-179	29	208	96.2	6.35	1.00	3.26	87.8	9.37, 2.50, 0.00	96.2	0.94
	180-201	22	169	118.3	5.54	1.00	1.78	112.7	5.03, 0.79, 0.00	118.3	0.95
	202-226	25	199	140.9	2.15	1.00	1.40	139.2	0.00, 3.14, 0.00	140.9	0.99
	227-272	46	340	151.9	5.10	1.00	2.72	151.3	1.32, 0.00, 0.00	151.9	0.96
	273-295	23	169	132.3	4.02	1.00	0.99	130.1	0.00, 5.62, 0.00	132.3	0.97
	296-356	61	455	137.6	7.20	1.00	2.25	133.8	2.35, 0.25, 0.00	137.6	0.94
	357-377	21	161	128.3	12.42	1.00	2.14	128.3	0.00, 0.01, 0.00	128.3	0.90
	378-400	23	174	105.6	11.21	1.00	3.14	103.9	0.00, 6.93, 0.00	105.6	0.89
	401-422	22	149	57.8	16.30	1.00	2.96	41.3	13.44, 3.80, 0.00	57.8	0.74
	423-444	22	159	48.6	8.44	1.00	2.87	37.7	13.77, 8.31, 0.00	48.6	0.84
	445-482	38	276	45.9	8.55	1.00	3.48	28.2	10.22, 4.10, 0.00	45.9	0.82
	483-516	34	253	47.2	7.32	1.00	2.98	33.0	6.72, 1.97, 0.00	47.2	0.84
	517-526	10	76	52.8	16.81	1.00	2.13	33.1	0.00, 14.14, 17.88	52.8	0.68

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=2.65 and residual=0.59)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-18	17	126	45.1	6.90	1.00	4.62	41.4	16.62, 0.00, 0.00	45.1	0.88
	19-48	30	212	41.9	12.50	1.00	3.08	33.1	0.00, 7.02, 4.20	41.9	0.73
	49-78	30	231	46.8	8.32	1.00	3.71	37.9	21.13, 3.07, 0.00	46.8	0.84
	79-126	48	330	45.0	10.00	1.00	4.05	33.7	10.09, 0.00, 4.35	45.0	0.80
	127-138	12	86	61.4	7.11	1.00	2.14	47.3	34.48, 2.20, 0.00	61.4	0.88
	139-150	12	82	82.6	6.25	1.00	2.26	47.0	19.82, 1.49, 0.00	82.6	0.92
	151-179	29	208	96.2	6.35	1.00	3.26	87.8	9.37, 2.50, 0.00	96.2	0.94
	180-201	22	169	118.3	5.54	1.00	1.78	112.7	5.03, 0.79, 0.00	118.3	0.95
	202-226	25	199	140.9	2.15	1.00	1.40	139.2	0.00, 3.14, 0.00	140.9	0.99
	227-272	46	340	151.9	5.10	1.00	2.72	151.3	1.32, 0.00, 0.00	151.9	0.96
	273-295	23	169	132.3	4.02	1.00	0.99	130.1	0.00, 5.62, 0.00	132.3	0.97
	296-356	61	455	137.6	7.20	1.00	2.25	133.8	2.35, 0.25, 0.00	137.6	0.94
	357-377	21	161	128.3	12.42	1.00	2.14	128.3	0.00, 0.01, 0.00	128.3	0.90
	378-400	23	174	105.6	11.21	1.00	3.14	103.9	0.00, 6.93, 0.00	105.6	0.89
	401-422	22	149	57.8	16.30	1.00	2.96	41.3	13.44, 3.80, 0.00	57.8	0.74
	423-444	22	159	48.6	8.44	1.00	2.87	37.7	13.77, 8.31, 0.00	48.6	0.84
	445-482	38	276	45.9	8.55	1.00	3.48	28.2	10.22, 4.10, 0.00	45.9	0.82
	483-516	34	253	47.2	7.32	1.00	2.98	33.0	6.72, 1.97, 0.00	47.2	0.84
	517-526	10	76	52.8	16.81	1.00	2.13	33.1	0.00, 14.14, 17.88	52.8	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=2.58 and residual=0.56)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-18	17	126	45.1	6.90	1.00	4.62	41.4	16.62, 0.00, 0.00	45.1	0.88
	19-48	30	212	41.9	12.50	1.00	3.08	33.1	0.00, 7.02, 4.20	41.9	0.73
	49-74	26	201	45.4	7.62	1.00	3.60	37.1	22.03, 3.08, 0.00	45.4	0.85
	75-90	16	106	56.8	7.86	1.00	3.29	55.5	5.91, 0.00, 0.00	56.8	0.84
	91-126	36	254	41.4	7.28	1.00	4.02	32.6	9.72, 3.27, 0.00	41.4	0.84
	127-138	12	86	61.4	7.11	1.00	2.14	47.3	34.48, 2.20, 0.00	61.4	0.88
	139-150	12	82	82.6	6.25	1.00	2.26	47.0	19.82, 1.49, 0.00	82.6	0.92
	151-179	29	208	96.2	6.35	1.00	3.26	87.8	9.37, 2.50, 0.00	96.2	0.94
	180-201	22	169	118.3	5.54	1.00	1.78	112.7	5.03, 0.79, 0.00	118.3	0.95
	202-226	25	199	140.9	2.15	1.00	1.40	139.2	0.00, 3.14, 0.00	140.9	0.99
	227-272	46	340	151.9	5.10	1.00	2.72	151.3	1.32, 0.00, 0.00	151.9	0.96
	273-295	23	169	132.3	4.02	1.00	0.99	130.1	0.00, 5.62, 0.00	132.3	0.97
	296-356	61	455	137.6	7.20	1.00	2.25	133.8	2.35, 0.25, 0.00	137.6	0.94
	357-377	21	161	128.3	12.42	1.00	2.14	128.3	0.00, 0.01, 0.00	128.3	0.90
	378-400	23	174	105.6	11.21	1.00	3.14	103.9	0.00, 6.93, 0.00	105.6	0.89
	401-422	22	149	57.8	16.30	1.00	2.96	41.3	13.44, 3.80, 0.00	57.8	0.74
	423-444	22	159	48.6	8.44	1.00	2.87	37.7	13.77, 8.31, 0.00	48.6	0.84
	445-482	38	276	45.9	8.55	1.00	3.48	28.2	10.22, 4.10, 0.00	45.9	0.82
	483-516	34	253	47.2	7.32	1.00	2.98	33.0	6.72, 1.97, 0.00	47.2	0.84
	517-526	10	76	52.8	16.81	1.00	2.13	33.1	0.00, 14.14, 17.88	52.8	0.68

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1 Released 11 February 2010