1KP8: Chain J TLS Analysis

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1

1KP8: Chain J TLS Analysis

Chain J 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 J

# 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=12.92 and residual=14.06)
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	81.7	37.53	1.00	13.04	66.4	3.57, 0.37, 0.00	81.7	0.59

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=9.56 and residual=7.70)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-137	136	979	45.4	10.23	1.00	6.64	37.2	3.79, 1.28, 0.00	45.4	0.83
	138-526	389	2876	94.0	35.42	1.00	12.49	79.7	3.84, 0.29, 0.00	94.0	0.65

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=6.16 and residual=3.20)
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	45.6	10.49	1.00	6.63	37.2	3.80, 1.34, 0.00	45.6	0.83
	139-395	257	1920	116.1	18.00	1.00	6.36	56.2	6.32, 0.66, 0.00	116.1	0.83
	396-526	131	950	49.4	12.77	1.00	6.21	33.0	5.95, 2.14, 0.00	49.4	0.78

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=5.74 and residual=2.77)
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	44.7	9.72	1.00	5.37	38.1	10.51, 0.00, 0.00	44.7	0.83
	79-156	78	540	54.8	17.90	1.00	5.24	32.4	12.14, 4.49, 0.00	54.8	0.69
	157-395	239	1796	118.5	15.89	1.00	6.11	77.7	6.08, 0.94, 0.00	118.5	0.85
	396-526	131	950	49.4	12.77	1.00	6.21	33.0	5.95, 2.14, 0.00	49.4	0.78

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=5.29 and residual=2.36)
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	44.7	9.72	1.00	5.37	38.1	10.51, 0.00, 0.00	44.7	0.83
	79-184	106	738	65.2	23.33	1.00	6.36	35.6	8.23, 0.00, 3.02	65.2	0.64
	185-335	151	1140	122.7	12.06	1.00	4.39	85.8	0.00, 1.55, 2.80	122.7	0.89
	336-395	60	458	118.9	16.91	1.00	4.99	93.3	0.00, 7.58, 4.70	118.9	0.84
	396-526	131	950	49.4	12.77	1.00	6.21	33.0	5.95, 2.14, 0.00	49.4	0.78

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=4.94 and residual=2.05)
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	44.7	9.72	1.00	5.37	38.1	10.51, 0.00, 0.00	44.7	0.83
	79-149	71	490	51.6	15.23	1.00	5.04	33.1	11.03, 4.47, 0.00	51.6	0.73
	150-197	48	355	95.7	8.84	1.00	4.72	79.7	0.00, 2.81, 3.93	95.7	0.91
	198-368	171	1300	126.0	10.85	1.00	4.81	110.5	4.60, 2.04, 0.48	126.0	0.91
	369-415	47	327	86.4	21.35	1.00	4.95	80.6	0.00, 6.11, 0.00	86.4	0.73
	416-526	111	814	46.8	10.16	1.00	5.93	34.2	5.21, 0.00, 2.03	46.8	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=4.59 and residual=1.77)
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	44.7	9.72	1.00	5.37	38.1	10.51, 0.00, 0.00	44.7	0.83
	79-150	72	498	52.0	15.42	1.00	5.14	32.9	11.36, 4.53, 0.00	52.0	0.72
	151-203	53	396	98.9	11.01	1.00	4.58	85.1	4.96, 2.05, 1.36	98.9	0.89
	204-303	100	741	126.2	10.09	1.00	3.75	107.6	0.00, 2.62, 1.44	126.2	0.91
	304-368	65	510	126.5	11.94	1.00	3.31	86.2	4.40, 0.70, 0.05	126.5	0.88
	369-415	47	327	86.4	21.35	1.00	4.95	80.6	0.00, 6.11, 0.00	86.4	0.73
	416-526	111	814	46.8	10.16	1.00	5.93	34.2	5.21, 0.00, 2.03	46.8	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=4.32 and residual=1.57)
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	44.7	9.72	1.00	5.37	38.1	10.51, 0.00, 0.00	44.7	0.83
	79-150	72	498	52.0	15.42	1.00	5.14	32.9	11.36, 4.53, 0.00	52.0	0.72
	151-203	53	396	98.9	11.01	1.00	4.58	85.1	4.96, 2.05, 1.36	98.9	0.89
	204-303	100	741	126.2	10.09	1.00	3.75	107.6	0.00, 2.62, 1.44	126.2	0.91
	304-368	65	510	126.5	11.94	1.00	3.31	86.2	4.40, 0.70, 0.05	126.5	0.88
	369-415	47	327	86.4	21.35	1.00	4.95	80.6	0.00, 6.11, 0.00	86.4	0.73
	416-459	44	323	43.2	7.01	1.00	4.89	36.0	12.72, 0.63, 0.00	43.2	0.87
	460-526	67	491	49.1	11.18	1.00	5.44	32.4	8.50, 0.00, 3.00	49.1	0.80

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=4.15 and residual=1.45)
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	44.7	9.72	1.00	5.37	38.1	10.51, 0.00, 0.00	44.7	0.83
	79-150	72	498	52.0	15.42	1.00	5.14	32.9	11.36, 4.53, 0.00	52.0	0.72
	151-203	53	396	98.9	11.01	1.00	4.58	85.1	4.96, 2.05, 1.36	98.9	0.89
	204-303	100	741	126.2	10.09	1.00	3.75	107.6	0.00, 2.62, 1.44	126.2	0.91
	304-368	65	510	126.5	11.94	1.00	3.31	86.2	4.40, 0.70, 0.05	126.5	0.88
	369-414	46	323	86.9	20.90	1.00	4.88	81.0	0.00, 6.36, 0.00	86.9	0.74
	415-450	36	258	44.3	6.94	1.00	4.60	37.3	16.34, 1.89, 0.00	44.3	0.87
	451-494	44	325	49.6	8.77	1.00	4.48	36.4	0.00, 11.18, 6.99	49.6	0.83
	495-526	32	235	45.5	13.42	1.00	4.30	36.5	17.91, 0.00, 0.04	45.5	0.78

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=4.01 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	44.7	9.72	1.00	5.37	38.1	10.51, 0.00, 0.00	44.7	0.83
	79-150	72	498	52.0	15.42	1.00	5.14	32.9	11.36, 4.53, 0.00	52.0	0.72
	151-183	33	231	92.1	7.11	1.00	3.51	82.3	0.00, 5.99, 5.73	92.1	0.93
	184-203	20	165	108.5	7.98	1.00	2.49	103.8	6.00, 0.36, 0.00	108.5	0.92
	204-303	100	741	126.2	10.09	1.00	3.75	107.6	0.00, 2.62, 1.44	126.2	0.91
	304-368	65	510	126.5	11.94	1.00	3.31	86.2	4.40, 0.70, 0.05	126.5	0.88
	369-414	46	323	86.9	20.90	1.00	4.88	81.0	0.00, 6.36, 0.00	86.9	0.74
	415-450	36	258	44.3	6.94	1.00	4.60	37.3	16.34, 1.89, 0.00	44.3	0.87
	451-494	44	325	49.6	8.77	1.00	4.48	36.4	0.00, 11.18, 6.99	49.6	0.83
	495-526	32	235	45.5	13.42	1.00	4.30	36.5	17.91, 0.00, 0.04	45.5	0.78

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=3.87 and residual=1.26)
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	44.7	9.72	1.00	5.37	38.1	10.51, 0.00, 0.00	44.7	0.83
	79-150	72	498	52.0	15.42	1.00	5.14	32.9	11.36, 4.53, 0.00	52.0	0.72
	151-183	33	231	92.1	7.11	1.00	3.51	82.3	0.00, 5.99, 5.73	92.1	0.93
	184-209	26	217	113.2	11.00	1.00	2.69	109.3	6.90, 0.00, 0.00	113.2	0.88
	210-271	62	459	131.3	7.77	1.00	3.11	86.9	2.37, 0.00, 0.86	131.3	0.93
	272-303	32	230	115.7	6.50	1.00	2.97	109.8	6.46, 2.25, 0.00	115.7	0.94
	304-368	65	510	126.5	11.94	1.00	3.31	86.2	4.40, 0.70, 0.05	126.5	0.88
	369-414	46	323	86.9	20.90	1.00	4.88	81.0	0.00, 6.36, 0.00	86.9	0.74
	415-450	36	258	44.3	6.94	1.00	4.60	37.3	16.34, 1.89, 0.00	44.3	0.87
	451-494	44	325	49.6	8.77	1.00	4.48	36.4	0.00, 11.18, 6.99	49.6	0.83
	495-526	32	235	45.5	13.42	1.00	4.30	36.5	17.91, 0.00, 0.04	45.5	0.78

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=3.74 and residual=1.18)
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	44.7	9.72	1.00	5.37	38.1	10.51, 0.00, 0.00	44.7	0.83
	79-128	50	342	43.6	9.07	1.00	4.50	33.0	0.00, 9.43, 5.12	43.6	0.82
	129-156	28	198	74.2	11.74	1.00	4.02	55.4	13.61, 0.00, 4.21	74.2	0.83
	157-183	27	189	92.8	7.29	1.00	3.11	86.1	10.11, 0.14, 0.00	92.8	0.92
	184-209	26	217	113.2	11.00	1.00	2.69	109.3	6.90, 0.00, 0.00	113.2	0.88
	210-271	62	459	131.3	7.77	1.00	3.11	86.9	2.37, 0.00, 0.86	131.3	0.93
	272-303	32	230	115.7	6.50	1.00	2.97	109.8	6.46, 2.25, 0.00	115.7	0.94
	304-368	65	510	126.5	11.94	1.00	3.31	86.2	4.40, 0.70, 0.05	126.5	0.88
	369-414	46	323	86.9	20.90	1.00	4.88	81.0	0.00, 6.36, 0.00	86.9	0.74
	415-450	36	258	44.3	6.94	1.00	4.60	37.3	16.34, 1.89, 0.00	44.3	0.87
	451-494	44	325	49.6	8.77	1.00	4.48	36.4	0.00, 11.18, 6.99	49.6	0.83
	495-526	32	235	45.5	13.42	1.00	4.30	36.5	17.91, 0.00, 0.04	45.5	0.78

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=3.61 and residual=1.10)
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	44.7	9.72	1.00	5.37	38.1	10.51, 0.00, 0.00	44.7	0.83
	79-128	50	342	43.6	9.07	1.00	4.50	33.0	0.00, 9.43, 5.12	43.6	0.82
	129-156	28	198	74.2	11.74	1.00	4.02	55.4	13.61, 0.00, 4.21	74.2	0.83
	157-183	27	189	92.8	7.29	1.00	3.11	86.1	10.11, 0.14, 0.00	92.8	0.92
	184-209	26	217	113.2	11.00	1.00	2.69	109.3	6.90, 0.00, 0.00	113.2	0.88
	210-271	62	459	131.3	7.77	1.00	3.11	86.9	2.37, 0.00, 0.86	131.3	0.93
	272-303	32	230	115.7	6.50	1.00	2.97	109.8	6.46, 2.25, 0.00	115.7	0.94
	304-367	64	499	126.7	11.96	1.00	3.18	73.8	4.13, 0.53, 0.00	126.7	0.88
	368-406	39	282	94.7	14.75	1.00	4.61	86.3	0.00, 6.91, 0.00	94.7	0.83
	407-444	38	265	45.7	7.17	1.00	3.73	39.2	10.63, 1.14, 0.00	45.7	0.86
	445-475	31	223	46.4	9.51	1.00	4.03	30.6	10.49, 1.60, 4.04	46.4	0.82
	476-514	39	291	47.3	8.00	1.00	3.76	22.3	6.57, 0.00, 1.48	47.3	0.84
	515-526	12	91	51.3	19.30	1.00	3.31	31.5	20.28, 9.87, 0.00	51.3	0.67

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=3.49 and residual=1.02)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-23	22	160	42.3	7.43	1.00	5.05	38.5	14.64, 0.00, 0.00	42.3	0.86
	24-78	55	409	45.6	10.34	1.00	4.46	36.8	9.82, 0.00, 2.49	45.6	0.78
	79-128	50	342	43.6	9.07	1.00	4.50	33.0	0.00, 9.43, 5.12	43.6	0.82
	129-156	28	198	74.2	11.74	1.00	4.02	55.4	13.61, 0.00, 4.21	74.2	0.83
	157-183	27	189	92.8	7.29	1.00	3.11	86.1	10.11, 0.14, 0.00	92.8	0.92
	184-209	26	217	113.2	11.00	1.00	2.69	109.3	6.90, 0.00, 0.00	113.2	0.88
	210-271	62	459	131.3	7.77	1.00	3.11	86.9	2.37, 0.00, 0.86	131.3	0.93
	272-303	32	230	115.7	6.50	1.00	2.97	109.8	6.46, 2.25, 0.00	115.7	0.94
	304-367	64	499	126.7	11.96	1.00	3.18	73.8	4.13, 0.53, 0.00	126.7	0.88
	368-406	39	282	94.7	14.75	1.00	4.61	86.3	0.00, 6.91, 0.00	94.7	0.83
	407-444	38	265	45.7	7.17	1.00	3.73	39.2	10.63, 1.14, 0.00	45.7	0.86
	445-475	31	223	46.4	9.51	1.00	4.03	30.6	10.49, 1.60, 4.04	46.4	0.82
	476-514	39	291	47.3	8.00	1.00	3.76	22.3	6.57, 0.00, 1.48	47.3	0.84
	515-526	12	91	51.3	19.30	1.00	3.31	31.5	20.28, 9.87, 0.00	51.3	0.67

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=3.35 and residual=0.95)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-23	22	160	42.3	7.43	1.00	5.05	38.5	14.64, 0.00, 0.00	42.3	0.86
	24-69	46	346	45.1	10.53	1.00	4.14	36.2	8.49, 1.21, 0.00	45.1	0.78
	70-85	16	109	52.7	8.95	1.00	4.53	49.8	0.00, 31.63, 0.00	52.7	0.83
	86-128	43	296	41.2	7.09	1.00	4.47	32.0	0.00, 8.42, 5.69	41.2	0.85
	129-156	28	198	74.2	11.74	1.00	4.02	55.4	13.61, 0.00, 4.21	74.2	0.83
	157-183	27	189	92.8	7.29	1.00	3.11	86.1	10.11, 0.14, 0.00	92.8	0.92
	184-209	26	217	113.2	11.00	1.00	2.69	109.3	6.90, 0.00, 0.00	113.2	0.88
	210-271	62	459	131.3	7.77	1.00	3.11	86.9	2.37, 0.00, 0.86	131.3	0.93
	272-303	32	230	115.7	6.50	1.00	2.97	109.8	6.46, 2.25, 0.00	115.7	0.94
	304-367	64	499	126.7	11.96	1.00	3.18	73.8	4.13, 0.53, 0.00	126.7	0.88
	368-406	39	282	94.7	14.75	1.00	4.61	86.3	0.00, 6.91, 0.00	94.7	0.83
	407-444	38	265	45.7	7.17	1.00	3.73	39.2	10.63, 1.14, 0.00	45.7	0.86
	445-475	31	223	46.4	9.51	1.00	4.03	30.6	10.49, 1.60, 4.04	46.4	0.82
	476-514	39	291	47.3	8.00	1.00	3.76	22.3	6.57, 0.00, 1.48	47.3	0.84
	515-526	12	91	51.3	19.30	1.00	3.31	31.5	20.28, 9.87, 0.00	51.3	0.67

Summary of Optimal TLS Group Partition using 16 Groups
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Analysis of TLS Group 16 Chain Segments (overall rmsd_b=3.23 and residual=0.88)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-23	22	160	42.3	7.43	1.00	5.05	38.5	14.64, 0.00, 0.00	42.3	0.86
	24-69	46	346	45.1	10.53	1.00	4.14	36.2	8.49, 1.21, 0.00	45.1	0.78
	70-85	16	109	52.7	8.95	1.00	4.53	49.8	0.00, 31.63, 0.00	52.7	0.83
	86-128	43	296	41.2	7.09	1.00	4.47	32.0	0.00, 8.42, 5.69	41.2	0.85
	129-156	28	198	74.2	11.74	1.00	4.02	55.4	13.61, 0.00, 4.21	74.2	0.83
	157-183	27	189	92.8	7.29	1.00	3.11	86.1	10.11, 0.14, 0.00	92.8	0.92
	184-209	26	217	113.2	11.00	1.00	2.69	109.3	6.90, 0.00, 0.00	113.2	0.88
	210-271	62	459	131.3	7.77	1.00	3.11	86.9	2.37, 0.00, 0.86	131.3	0.93
	272-303	32	230	115.7	6.50	1.00	2.97	109.8	6.46, 2.25, 0.00	115.7	0.94
	304-356	53	403	125.1	12.23	1.00	2.87	117.8	4.95, 0.48, 0.00	125.1	0.88
	357-377	21	161	121.2	17.09	1.00	2.60	121.0	0.00, 0.31, 0.00	121.2	0.85
	378-403	26	196	94.6	13.69	1.00	2.78	92.9	7.76, 0.00, 0.00	94.6	0.84
	404-444	41	286	47.5	9.83	1.00	4.17	38.0	11.49, 2.15, 0.00	47.5	0.82
	445-475	31	223	46.4	9.51	1.00	4.03	30.6	10.49, 1.60, 4.04	46.4	0.82
	476-514	39	291	47.3	8.00	1.00	3.76	22.3	6.57, 0.00, 1.48	47.3	0.84
	515-526	12	91	51.3	19.30	1.00	3.31	31.5	20.28, 9.87, 0.00	51.3	0.67

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=3.14 and residual=0.83)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-23	22	160	42.3	7.43	1.00	5.05	38.5	14.64, 0.00, 0.00	42.3	0.86
	24-69	46	346	45.1	10.53	1.00	4.14	36.2	8.49, 1.21, 0.00	45.1	0.78
	70-85	16	109	52.7	8.95	1.00	4.53	49.8	0.00, 31.63, 0.00	52.7	0.83
	86-128	43	296	41.2	7.09	1.00	4.47	32.0	0.00, 8.42, 5.69	41.2	0.85
	129-156	28	198	74.2	11.74	1.00	4.02	55.4	13.61, 0.00, 4.21	74.2	0.83
	157-183	27	189	92.8	7.29	1.00	3.11	86.1	10.11, 0.14, 0.00	92.8	0.92
	184-209	26	217	113.2	11.00	1.00	2.69	109.3	6.90, 0.00, 0.00	113.2	0.88
	210-271	62	459	131.3	7.77	1.00	3.11	86.9	2.37, 0.00, 0.86	131.3	0.93
	272-303	32	230	115.7	6.50	1.00	2.97	109.8	6.46, 2.25, 0.00	115.7	0.94
	304-356	53	403	125.1	12.23	1.00	2.87	117.8	4.95, 0.48, 0.00	125.1	0.88
	357-377	21	161	121.2	17.09	1.00	2.60	121.0	0.00, 0.31, 0.00	121.2	0.85
	378-400	23	174	97.7	11.14	1.00	2.67	95.9	7.76, 0.00, 0.00	97.7	0.87
	401-423	23	154	53.9	12.32	1.00	2.48	44.5	9.22, 2.85, 0.00	53.9	0.79
	424-444	21	154	44.3	7.16	1.00	3.20	34.9	11.90, 2.91, 0.00	44.3	0.85
	445-475	31	223	46.4	9.51	1.00	4.03	30.6	10.49, 1.60, 4.04	46.4	0.82
	476-514	39	291	47.3	8.00	1.00	3.76	22.3	6.57, 0.00, 1.48	47.3	0.84
	515-526	12	91	51.3	19.30	1.00	3.31	31.5	20.28, 9.87, 0.00	51.3	0.67

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=3.05 and residual=0.78)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-23	22	160	42.3	7.43	1.00	5.05	38.5	14.64, 0.00, 0.00	42.3	0.86
	24-69	46	346	45.1	10.53	1.00	4.14	36.2	8.49, 1.21, 0.00	45.1	0.78
	70-85	16	109	52.7	8.95	1.00	4.53	49.8	0.00, 31.63, 0.00	52.7	0.83
	86-128	43	296	41.2	7.09	1.00	4.47	32.0	0.00, 8.42, 5.69	41.2	0.85
	129-156	28	198	74.2	11.74	1.00	4.02	55.4	13.61, 0.00, 4.21	74.2	0.83
	157-183	27	189	92.8	7.29	1.00	3.11	86.1	10.11, 0.14, 0.00	92.8	0.92
	184-202	19	153	107.0	6.24	1.00	2.46	101.6	7.68, 0.00, 0.53	107.0	0.94
	203-225	23	183	124.9	4.07	1.00	1.18	115.6	4.99, 0.00, 0.80	124.9	0.96
	226-271	46	340	134.0	6.84	1.00	3.10	133.0	0.00, 1.66, 0.00	134.0	0.94
	272-303	32	230	115.7	6.50	1.00	2.97	109.8	6.46, 2.25, 0.00	115.7	0.94
	304-356	53	403	125.1	12.23	1.00	2.87	117.8	4.95, 0.48, 0.00	125.1	0.88
	357-377	21	161	121.2	17.09	1.00	2.60	121.0	0.00, 0.31, 0.00	121.2	0.85
	378-400	23	174	97.7	11.14	1.00	2.67	95.9	7.76, 0.00, 0.00	97.7	0.87
	401-423	23	154	53.9	12.32	1.00	2.48	44.5	9.22, 2.85, 0.00	53.9	0.79
	424-444	21	154	44.3	7.16	1.00	3.20	34.9	11.90, 2.91, 0.00	44.3	0.85
	445-475	31	223	46.4	9.51	1.00	4.03	30.6	10.49, 1.60, 4.04	46.4	0.82
	476-514	39	291	47.3	8.00	1.00	3.76	22.3	6.57, 0.00, 1.48	47.3	0.84
	515-526	12	91	51.3	19.30	1.00	3.31	31.5	20.28, 9.87, 0.00	51.3	0.67

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=2.96 and residual=0.74)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-23	22	160	42.3	7.43	1.00	5.05	38.5	14.64, 0.00, 0.00	42.3	0.86
	24-69	46	346	45.1	10.53	1.00	4.14	36.2	8.49, 1.21, 0.00	45.1	0.78
	70-87	18	121	52.7	8.53	1.00	4.76	50.8	0.00, 16.06, 0.00	52.7	0.84
	88-117	30	206	39.4	5.60	1.00	3.64	32.5	11.32, 0.00, 4.67	39.4	0.88
	118-128	11	78	44.3	8.40	1.00	3.13	39.6	0.00, 26.58, 0.00	44.3	0.84
	129-156	28	198	74.2	11.74	1.00	4.02	55.4	13.61, 0.00, 4.21	74.2	0.83
	157-183	27	189	92.8	7.29	1.00	3.11	86.1	10.11, 0.14, 0.00	92.8	0.92
	184-202	19	153	107.0	6.24	1.00	2.46	101.6	7.68, 0.00, 0.53	107.0	0.94
	203-225	23	183	124.9	4.07	1.00	1.18	115.6	4.99, 0.00, 0.80	124.9	0.96
	226-271	46	340	134.0	6.84	1.00	3.10	133.0	0.00, 1.66, 0.00	134.0	0.94
	272-303	32	230	115.7	6.50	1.00	2.97	109.8	6.46, 2.25, 0.00	115.7	0.94
	304-356	53	403	125.1	12.23	1.00	2.87	117.8	4.95, 0.48, 0.00	125.1	0.88
	357-377	21	161	121.2	17.09	1.00	2.60	121.0	0.00, 0.31, 0.00	121.2	0.85
	378-400	23	174	97.7	11.14	1.00	2.67	95.9	7.76, 0.00, 0.00	97.7	0.87
	401-423	23	154	53.9	12.32	1.00	2.48	44.5	9.22, 2.85, 0.00	53.9	0.79
	424-444	21	154	44.3	7.16	1.00	3.20	34.9	11.90, 2.91, 0.00	44.3	0.85
	445-475	31	223	46.4	9.51	1.00	4.03	30.6	10.49, 1.60, 4.04	46.4	0.82
	476-514	39	291	47.3	8.00	1.00	3.76	22.3	6.57, 0.00, 1.48	47.3	0.84
	515-526	12	91	51.3	19.30	1.00	3.31	31.5	20.28, 9.87, 0.00	51.3	0.67

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=2.88 and residual=0.70)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-23	22	160	42.3	7.43	1.00	5.05	38.5	14.64, 0.00, 0.00	42.3	0.86
	24-69	46	346	45.1	10.53	1.00	4.14	36.2	8.49, 1.21, 0.00	45.1	0.78
	70-87	18	121	52.7	8.53	1.00	4.76	50.8	0.00, 16.06, 0.00	52.7	0.84
	88-117	30	206	39.4	5.60	1.00	3.64	32.5	11.32, 0.00, 4.67	39.4	0.88
	118-127	10	71	43.8	8.64	1.00	3.17	39.5	0.00, 27.11, 0.00	43.8	0.84
	128-138	11	81	61.3	7.74	1.00	2.56	40.4	35.29, 0.00, 2.00	61.3	0.87
	139-156	18	124	81.2	7.70	1.00	2.96	68.9	13.25, 0.00, 6.32	81.2	0.90
	157-183	27	189	92.8	7.29	1.00	3.11	86.1	10.11, 0.14, 0.00	92.8	0.92
	184-202	19	153	107.0	6.24	1.00	2.46	101.6	7.68, 0.00, 0.53	107.0	0.94
	203-225	23	183	124.9	4.07	1.00	1.18	115.6	4.99, 0.00, 0.80	124.9	0.96
	226-271	46	340	134.0	6.84	1.00	3.10	133.0	0.00, 1.66, 0.00	134.0	0.94
	272-303	32	230	115.7	6.50	1.00	2.97	109.8	6.46, 2.25, 0.00	115.7	0.94
	304-356	53	403	125.1	12.23	1.00	2.87	117.8	4.95, 0.48, 0.00	125.1	0.88
	357-377	21	161	121.2	17.09	1.00	2.60	121.0	0.00, 0.31, 0.00	121.2	0.85
	378-400	23	174	97.7	11.14	1.00	2.67	95.9	7.76, 0.00, 0.00	97.7	0.87
	401-423	23	154	53.9	12.32	1.00	2.48	44.5	9.22, 2.85, 0.00	53.9	0.79
	424-444	21	154	44.3	7.16	1.00	3.20	34.9	11.90, 2.91, 0.00	44.3	0.85
	445-475	31	223	46.4	9.51	1.00	4.03	30.6	10.49, 1.60, 4.04	46.4	0.82
	476-514	39	291	47.3	8.00	1.00	3.76	22.3	6.57, 0.00, 1.48	47.3	0.84
	515-526	12	91	51.3	19.30	1.00	3.31	31.5	20.28, 9.87, 0.00	51.3	0.67

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1 Released 11 February 2010