1KP8: Chain G TLS Analysis

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1

1KP8: Chain G TLS Analysis

Chain G 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 G

# 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=11.08 and residual=10.34)
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	59.0	26.40	1.00	11.31	46.5	0.00, 4.12, 0.00	59.0	0.62

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=9.41 and residual=7.46)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-111	110	785	39.5	9.76	1.00	6.57	32.6	5.14, 0.42, 0.00	39.5	0.82
	112-526	415	3070	64.0	27.00	1.00	10.57	51.2	0.00, 4.16, 0.00	64.0	0.61

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=7.28 and residual=4.47)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-136	135	972	39.2	9.72	1.00	7.24	26.1	3.19, 0.82, 0.00	39.2	0.83
	137-401	265	1980	78.3	22.46	1.00	8.20	40.4	0.00, 3.24, 5.15	78.3	0.71
	402-526	125	903	38.2	9.89	1.00	5.92	27.5	6.17, 1.08, 0.38	38.2	0.81

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=6.62 and residual=3.69)
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	39.1	9.67	1.00	7.05	28.1	3.05, 1.20, 0.00	39.1	0.82
	129-285	157	1166	79.9	25.02	1.00	7.69	40.7	0.00, 1.26, 6.54	79.9	0.68
	286-401	116	875	73.5	19.62	1.00	6.79	45.4	0.00, 6.52, 5.10	73.5	0.73
	402-526	125	903	38.2	9.89	1.00	5.92	27.5	6.17, 1.08, 0.38	38.2	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=6.22 and residual=3.26)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-102	101	730	39.7	9.92	1.00	6.46	29.8	5.62, 0.61, 0.00	39.7	0.80
	103-184	82	577	48.9	14.73	1.00	7.15	28.3	8.87, 0.00, 2.22	48.9	0.74
	185-305	121	914	90.3	19.80	1.00	6.79	51.6	0.00, 6.10, 3.85	90.3	0.77
	306-401	96	731	72.9	19.70	1.00	6.28	45.9	0.00, 6.67, 4.54	72.9	0.74
	402-526	125	903	38.2	9.89	1.00	5.92	27.5	6.17, 1.08, 0.38	38.2	0.81

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=5.92 and residual=2.95)
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	40.3	9.93	1.00	6.05	34.0	9.23, 0.00, 0.00	40.3	0.81
	79-150	72	498	39.3	9.27	1.00	5.89	26.3	11.80, 0.00, 2.92	39.3	0.81
	151-184	34	240	61.2	12.26	1.00	4.50	46.5	16.77, 0.00, 7.74	61.2	0.82
	185-305	121	914	90.3	19.80	1.00	6.79	51.6	0.00, 6.10, 3.85	90.3	0.77
	306-401	96	731	72.9	19.70	1.00	6.28	45.9	0.00, 6.67, 4.54	72.9	0.74
	402-526	125	903	38.2	9.89	1.00	5.92	27.5	6.17, 1.08, 0.38	38.2	0.81

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=5.70 and residual=2.74)
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	40.3	9.93	1.00	6.05	34.0	9.23, 0.00, 0.00	40.3	0.81
	79-150	72	498	39.3	9.27	1.00	5.89	26.3	11.80, 0.00, 2.92	39.3	0.81
	151-183	33	231	60.2	11.37	1.00	4.43	46.0	17.01, 7.76, 0.00	60.2	0.83
	184-267	84	646	92.8	19.13	1.00	6.18	62.3	0.00, 5.37, 3.04	92.8	0.77
	268-307	40	289	85.8	20.52	1.00	6.06	56.2	15.90, 0.00, 1.55	85.8	0.76
	308-401	94	719	72.1	18.97	1.00	6.05	47.0	0.00, 7.64, 3.99	72.1	0.75
	402-526	125	903	38.2	9.89	1.00	5.92	27.5	6.17, 1.08, 0.38	38.2	0.81

Summary of Optimal TLS Group Partition using 8 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 8 Chain Segments (overall rmsd_b=5.47 and residual=2.52)
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	40.3	9.93	1.00	6.05	34.0	9.23, 0.00, 0.00	40.3	0.81
	79-150	72	498	39.3	9.27	1.00	5.89	26.3	11.80, 0.00, 2.92	39.3	0.81
	151-183	33	231	60.2	11.37	1.00	4.43	46.0	17.01, 7.76, 0.00	60.2	0.83
	184-267	84	646	92.8	19.13	1.00	6.18	62.3	0.00, 5.37, 3.04	92.8	0.77
	268-307	40	289	85.8	20.52	1.00	6.06	56.2	15.90, 0.00, 1.55	85.8	0.76
	308-401	94	719	72.1	18.97	1.00	6.05	47.0	0.00, 7.64, 3.99	72.1	0.75
	402-444	43	298	37.8	8.77	1.00	4.75	27.4	13.75, 2.14, 0.00	37.8	0.80
	445-526	82	605	38.3	10.39	1.00	5.35	25.1	10.31, 0.00, 2.22	38.3	0.79

Summary of Optimal TLS Group Partition using 9 Groups
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Analysis of TLS Group 9 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	40.3	9.93	1.00	6.05	34.0	9.23, 0.00, 0.00	40.3	0.81
	79-150	72	498	39.3	9.27	1.00	5.89	26.3	11.80, 0.00, 2.92	39.3	0.81
	151-184	34	240	61.2	12.26	1.00	4.50	46.5	16.77, 0.00, 7.74	61.2	0.82
	185-226	42	336	81.8	14.58	1.00	4.78	58.0	0.00, 6.42, 3.64	81.8	0.79
	227-272	46	340	106.3	15.45	1.00	6.76	103.9	0.00, 3.63, 0.00	106.3	0.83
	273-307	35	250	81.3	18.27	1.00	5.98	46.5	18.85, 0.00, 0.64	81.3	0.77
	308-401	94	719	72.1	18.97	1.00	6.05	47.0	0.00, 7.64, 3.99	72.1	0.75
	402-444	43	298	37.8	8.77	1.00	4.75	27.4	13.75, 2.14, 0.00	37.8	0.80
	445-526	82	605	38.3	10.39	1.00	5.35	25.1	10.31, 0.00, 2.22	38.3	0.79

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=5.11 and residual=2.20)
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	40.3	9.93	1.00	6.05	34.0	9.23, 0.00, 0.00	40.3	0.81
	79-150	72	498	39.3	9.27	1.00	5.89	26.3	11.80, 0.00, 2.92	39.3	0.81
	151-184	34	240	61.2	12.26	1.00	4.50	46.5	16.77, 0.00, 7.74	61.2	0.82
	185-226	42	336	81.8	14.58	1.00	4.78	58.0	0.00, 6.42, 3.64	81.8	0.79
	227-272	46	340	106.3	15.45	1.00	6.76	103.9	0.00, 3.63, 0.00	106.3	0.83
	273-303	31	221	76.9	14.32	1.00	4.97	48.7	18.00, 0.73, 0.00	76.9	0.81
	304-322	19	147	104.5	16.11	1.00	4.08	48.2	11.13, 1.40, 0.00	104.5	0.83
	323-401	79	601	66.3	12.91	1.00	5.88	46.9	0.00, 8.30, 4.51	66.3	0.83
	402-444	43	298	37.8	8.77	1.00	4.75	27.4	13.75, 2.14, 0.00	37.8	0.80
	445-526	82	605	38.3	10.39	1.00	5.35	25.1	10.31, 0.00, 2.22	38.3	0.79

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=4.94 and residual=2.06)
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	40.3	9.93	1.00	6.05	34.0	9.23, 0.00, 0.00	40.3	0.81
	79-150	72	498	39.3	9.27	1.00	5.89	26.3	11.80, 0.00, 2.92	39.3	0.81
	151-184	34	240	61.2	12.26	1.00	4.50	46.5	16.77, 0.00, 7.74	61.2	0.82
	185-226	42	336	81.8	14.58	1.00	4.78	58.0	0.00, 6.42, 3.64	81.8	0.79
	227-272	46	340	106.3	15.45	1.00	6.76	103.9	0.00, 3.63, 0.00	106.3	0.83
	273-303	31	221	76.9	14.32	1.00	4.97	48.7	18.00, 0.73, 0.00	76.9	0.81
	304-320	17	127	109.0	12.22	1.00	3.42	106.5	8.01, 0.00, 0.00	109.0	0.87
	321-368	48	383	65.5	9.89	1.00	5.37	52.4	11.98, 0.00, 4.12	65.5	0.85
	369-403	35	250	67.3	16.62	1.00	4.30	38.7	0.00, 7.20, 4.59	67.3	0.75
	404-444	41	286	37.4	8.73	1.00	4.64	27.0	15.00, 1.46, 0.00	37.4	0.81
	445-526	82	605	38.3	10.39	1.00	5.35	25.1	10.31, 0.00, 2.22	38.3	0.79

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=4.78 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>
	2-78	77	569	40.3	9.93	1.00	6.05	34.0	9.23, 0.00, 0.00	40.3	0.81
	79-150	72	498	39.3	9.27	1.00	5.89	26.3	11.80, 0.00, 2.92	39.3	0.81
	151-184	34	240	61.2	12.26	1.00	4.50	46.5	16.77, 0.00, 7.74	61.2	0.82
	185-226	42	336	81.8	14.58	1.00	4.78	58.0	0.00, 6.42, 3.64	81.8	0.79
	227-272	46	340	106.3	15.45	1.00	6.76	103.9	0.00, 3.63, 0.00	106.3	0.83
	273-303	31	221	76.9	14.32	1.00	4.97	48.7	18.00, 0.73, 0.00	76.9	0.81
	304-320	17	127	109.0	12.22	1.00	3.42	106.5	8.01, 0.00, 0.00	109.0	0.87
	321-368	48	383	65.5	9.89	1.00	5.37	52.4	11.98, 0.00, 4.12	65.5	0.85
	369-403	35	250	67.3	16.62	1.00	4.30	38.7	0.00, 7.20, 4.59	67.3	0.75
	404-444	41	286	37.4	8.73	1.00	4.64	27.0	15.00, 1.46, 0.00	37.4	0.81
	445-494	50	370	38.5	7.84	1.00	4.32	24.6	0.00, 9.87, 4.99	38.5	0.82
	495-526	32	235	38.2	13.46	1.00	4.20	29.9	0.00, 17.95, 0.00	38.2	0.75

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=4.63 and residual=1.81)
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	40.3	9.93	1.00	6.05	34.0	9.23, 0.00, 0.00	40.3	0.81
	79-128	50	342	37.0	8.85	1.00	5.07	25.7	0.00, 9.09, 5.45	37.0	0.80
	129-155	27	189	47.9	10.58	1.00	4.62	35.1	16.64, 0.00, 5.03	47.9	0.79
	156-183	28	198	59.5	12.03	1.00	4.12	45.0	21.08, 0.00, 8.68	59.5	0.82
	184-226	43	345	82.0	14.44	1.00	4.84	59.0	0.00, 6.15, 3.56	82.0	0.79
	227-272	46	340	106.3	15.45	1.00	6.76	103.9	0.00, 3.63, 0.00	106.3	0.83
	273-303	31	221	76.9	14.32	1.00	4.97	48.7	18.00, 0.73, 0.00	76.9	0.81
	304-320	17	127	109.0	12.22	1.00	3.42	106.5	8.01, 0.00, 0.00	109.0	0.87
	321-368	48	383	65.5	9.89	1.00	5.37	52.4	11.98, 0.00, 4.12	65.5	0.85
	369-403	35	250	67.3	16.62	1.00	4.30	38.7	0.00, 7.20, 4.59	67.3	0.75
	404-444	41	286	37.4	8.73	1.00	4.64	27.0	15.00, 1.46, 0.00	37.4	0.81
	445-494	50	370	38.5	7.84	1.00	4.32	24.6	0.00, 9.87, 4.99	38.5	0.82
	495-526	32	235	38.2	13.46	1.00	4.20	29.9	0.00, 17.95, 0.00	38.2	0.75

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=4.50 and residual=1.71)
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	40.3	9.93	1.00	6.05	34.0	9.23, 0.00, 0.00	40.3	0.81
	79-128	50	342	37.0	8.85	1.00	5.07	25.7	0.00, 9.09, 5.45	37.0	0.80
	129-155	27	189	47.9	10.58	1.00	4.62	35.1	16.64, 0.00, 5.03	47.9	0.79
	156-183	28	198	59.5	12.03	1.00	4.12	45.0	21.08, 0.00, 8.68	59.5	0.82
	184-226	43	345	82.0	14.44	1.00	4.84	59.0	0.00, 6.15, 3.56	82.0	0.79
	227-245	19	141	109.2	9.70	1.00	4.20	109.2	0.00, 0.00, 0.00	109.2	0.90
	246-272	27	199	104.3	18.19	1.00	6.22	101.8	0.00, 5.34, 0.00	104.3	0.80
	273-303	31	221	76.9	14.32	1.00	4.97	48.7	18.00, 0.73, 0.00	76.9	0.81
	304-320	17	127	109.0	12.22	1.00	3.42	106.5	8.01, 0.00, 0.00	109.0	0.87
	321-368	48	383	65.5	9.89	1.00	5.37	52.4	11.98, 0.00, 4.12	65.5	0.85
	369-403	35	250	67.3	16.62	1.00	4.30	38.7	0.00, 7.20, 4.59	67.3	0.75
	404-444	41	286	37.4	8.73	1.00	4.64	27.0	15.00, 1.46, 0.00	37.4	0.81
	445-494	50	370	38.5	7.84	1.00	4.32	24.6	0.00, 9.87, 4.99	38.5	0.82
	495-526	32	235	38.2	13.46	1.00	4.20	29.9	0.00, 17.95, 0.00	38.2	0.75

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=4.38 and residual=1.61)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-48	47	338	39.1	10.93	1.00	5.06	31.1	9.97, 0.00, 0.00	39.1	0.76
	49-78	30	231	42.0	7.95	1.00	4.22	32.9	18.55, 4.32, 0.00	42.0	0.84
	79-128	50	342	37.0	8.85	1.00	5.07	25.7	0.00, 9.09, 5.45	37.0	0.80
	129-155	27	189	47.9	10.58	1.00	4.62	35.1	16.64, 0.00, 5.03	47.9	0.79
	156-183	28	198	59.5	12.03	1.00	4.12	45.0	21.08, 0.00, 8.68	59.5	0.82
	184-226	43	345	82.0	14.44	1.00	4.84	59.0	0.00, 6.15, 3.56	82.0	0.79
	227-245	19	141	109.2	9.70	1.00	4.20	109.2	0.00, 0.00, 0.00	109.2	0.90
	246-272	27	199	104.3	18.19	1.00	6.22	101.8	0.00, 5.34, 0.00	104.3	0.80
	273-303	31	221	76.9	14.32	1.00	4.97	48.7	18.00, 0.73, 0.00	76.9	0.81
	304-320	17	127	109.0	12.22	1.00	3.42	106.5	8.01, 0.00, 0.00	109.0	0.87
	321-368	48	383	65.5	9.89	1.00	5.37	52.4	11.98, 0.00, 4.12	65.5	0.85
	369-403	35	250	67.3	16.62	1.00	4.30	38.7	0.00, 7.20, 4.59	67.3	0.75
	404-444	41	286	37.4	8.73	1.00	4.64	27.0	15.00, 1.46, 0.00	37.4	0.81
	445-494	50	370	38.5	7.84	1.00	4.32	24.6	0.00, 9.87, 4.99	38.5	0.82
	495-526	32	235	38.2	13.46	1.00	4.20	29.9	0.00, 17.95, 0.00	38.2	0.75

Summary of Optimal TLS Group Partition using 16 Groups
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Analysis of TLS Group 16 Chain Segments (overall rmsd_b=4.26 and residual=1.53)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-48	47	338	39.1	10.93	1.00	5.06	31.1	9.97, 0.00, 0.00	39.1	0.76
	49-78	30	231	42.0	7.95	1.00	4.22	32.9	18.55, 4.32, 0.00	42.0	0.84
	79-128	50	342	37.0	8.85	1.00	5.07	25.7	0.00, 9.09, 5.45	37.0	0.80
	129-155	27	189	47.9	10.58	1.00	4.62	35.1	16.64, 0.00, 5.03	47.9	0.79
	156-183	28	198	59.5	12.03	1.00	4.12	45.0	21.08, 0.00, 8.68	59.5	0.82
	184-226	43	345	82.0	14.44	1.00	4.84	59.0	0.00, 6.15, 3.56	82.0	0.79
	227-245	19	141	109.2	9.70	1.00	4.20	109.2	0.00, 0.00, 0.00	109.2	0.90
	246-272	27	199	104.3	18.19	1.00	6.22	101.8	0.00, 5.34, 0.00	104.3	0.80
	273-303	31	221	76.9	14.32	1.00	4.97	48.7	18.00, 0.73, 0.00	76.9	0.81
	304-320	17	127	109.0	12.22	1.00	3.42	106.5	8.01, 0.00, 0.00	109.0	0.87
	321-360	40	309	67.3	9.44	1.00	4.81	50.8	11.46, 0.00, 3.66	67.3	0.85
	361-380	20	152	55.0	7.60	1.00	3.62	46.1	26.67, 2.39, 0.00	55.0	0.88
	381-412	32	236	65.2	20.57	1.00	3.98	60.1	0.00, 20.36, 0.00	65.2	0.68
	413-447	35	246	36.7	8.42	1.00	5.15	27.3	27.85, 0.00, 1.78	36.7	0.81
	448-494	47	346	38.3	7.22	1.00	3.84	28.0	0.00, 10.24, 6.55	38.3	0.83
	495-526	32	235	38.2	13.46	1.00	4.20	29.9	0.00, 17.95, 0.00	38.2	0.75

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=4.15 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>
	2-18	17	126	41.3	7.60	1.00	4.84	36.8	0.00, 21.52, 0.00	41.3	0.86
	19-48	30	212	37.9	12.31	1.00	3.41	29.4	0.00, 6.59, 4.36	37.9	0.71
	49-78	30	231	42.0	7.95	1.00	4.22	32.9	18.55, 4.32, 0.00	42.0	0.84
	79-128	50	342	37.0	8.85	1.00	5.07	25.7	0.00, 9.09, 5.45	37.0	0.80
	129-155	27	189	47.9	10.58	1.00	4.62	35.1	16.64, 0.00, 5.03	47.9	0.79
	156-183	28	198	59.5	12.03	1.00	4.12	45.0	21.08, 0.00, 8.68	59.5	0.82
	184-226	43	345	82.0	14.44	1.00	4.84	59.0	0.00, 6.15, 3.56	82.0	0.79
	227-245	19	141	109.2	9.70	1.00	4.20	109.2	0.00, 0.00, 0.00	109.2	0.90
	246-272	27	199	104.3	18.19	1.00	6.22	101.8	0.00, 5.34, 0.00	104.3	0.80
	273-303	31	221	76.9	14.32	1.00	4.97	48.7	18.00, 0.73, 0.00	76.9	0.81
	304-320	17	127	109.0	12.22	1.00	3.42	106.5	8.01, 0.00, 0.00	109.0	0.87
	321-360	40	309	67.3	9.44	1.00	4.81	50.8	11.46, 0.00, 3.66	67.3	0.85
	361-380	20	152	55.0	7.60	1.00	3.62	46.1	26.67, 2.39, 0.00	55.0	0.88
	381-412	32	236	65.2	20.57	1.00	3.98	60.1	0.00, 20.36, 0.00	65.2	0.68
	413-447	35	246	36.7	8.42	1.00	5.15	27.3	27.85, 0.00, 1.78	36.7	0.81
	448-494	47	346	38.3	7.22	1.00	3.84	28.0	0.00, 10.24, 6.55	38.3	0.83
	495-526	32	235	38.2	13.46	1.00	4.20	29.9	0.00, 17.95, 0.00	38.2	0.75

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=4.04 and residual=1.37)
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	41.3	7.60	1.00	4.84	36.8	0.00, 21.52, 0.00	41.3	0.86
	19-48	30	212	37.9	12.31	1.00	3.41	29.4	0.00, 6.59, 4.36	37.9	0.71
	49-78	30	231	42.0	7.95	1.00	4.22	32.9	18.55, 4.32, 0.00	42.0	0.84
	79-128	50	342	37.0	8.85	1.00	5.07	25.7	0.00, 9.09, 5.45	37.0	0.80
	129-155	27	189	47.9	10.58	1.00	4.62	35.1	16.64, 0.00, 5.03	47.9	0.79
	156-183	28	198	59.5	12.03	1.00	4.12	45.0	21.08, 0.00, 8.68	59.5	0.82
	184-226	43	345	82.0	14.44	1.00	4.84	59.0	0.00, 6.15, 3.56	82.0	0.79
	227-245	19	141	109.2	9.70	1.00	4.20	109.2	0.00, 0.00, 0.00	109.2	0.90
	246-272	27	199	104.3	18.19	1.00	6.22	101.8	0.00, 5.34, 0.00	104.3	0.80
	273-303	31	221	76.9	14.32	1.00	4.97	48.7	18.00, 0.73, 0.00	76.9	0.81
	304-320	17	127	109.0	12.22	1.00	3.42	106.5	8.01, 0.00, 0.00	109.0	0.87
	321-361	41	317	67.2	9.41	1.00	4.89	51.2	11.29, 0.00, 3.49	67.2	0.85
	362-379	18	135	54.0	7.05	1.00	2.91	49.0	30.04, 0.36, 0.00	54.0	0.88
	380-403	24	181	73.7	15.13	1.00	3.87	-6.0	9.01, 0.00, 1.90	73.7	0.78
	404-444	41	286	37.4	8.73	1.00	4.64	27.0	15.00, 1.46, 0.00	37.4	0.81
	445-473	29	211	38.6	8.73	1.00	4.07	22.3	14.03, 2.74, 0.00	38.6	0.78
	474-516	43	318	35.8	6.21	1.00	3.35	23.1	9.45, 0.00, 2.34	35.8	0.85
	517-526	10	76	48.3	19.01	1.00	2.42	27.7	20.31, 10.64, 0.00	48.3	0.63

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=3.92 and residual=1.30)
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	41.3	7.60	1.00	4.84	36.8	0.00, 21.52, 0.00	41.3	0.86
	19-48	30	212	37.9	12.31	1.00	3.41	29.4	0.00, 6.59, 4.36	37.9	0.71
	49-78	30	231	42.0	7.95	1.00	4.22	32.9	18.55, 4.32, 0.00	42.0	0.84
	79-128	50	342	37.0	8.85	1.00	5.07	25.7	0.00, 9.09, 5.45	37.0	0.80
	129-155	27	189	47.9	10.58	1.00	4.62	35.1	16.64, 0.00, 5.03	47.9	0.79
	156-183	28	198	59.5	12.03	1.00	4.12	45.0	21.08, 0.00, 8.68	59.5	0.82
	184-226	43	345	82.0	14.44	1.00	4.84	59.0	0.00, 6.15, 3.56	82.0	0.79
	227-245	19	141	109.2	9.70	1.00	4.20	109.2	0.00, 0.00, 0.00	109.2	0.90
	246-267	22	160	101.8	19.28	1.00	5.48	98.2	0.00, 8.95, 0.00	101.8	0.78
	268-283	16	111	92.7	18.50	1.00	3.22	76.5	0.00, 12.08, 0.00	92.7	0.79
	284-303	20	149	74.8	15.30	1.00	3.97	58.9	0.00, 6.17, 17.07	74.8	0.79
	304-320	17	127	109.0	12.22	1.00	3.42	106.5	8.01, 0.00, 0.00	109.0	0.87
	321-361	41	317	67.2	9.41	1.00	4.89	51.2	11.29, 0.00, 3.49	67.2	0.85
	362-379	18	135	54.0	7.05	1.00	2.91	49.0	30.04, 0.36, 0.00	54.0	0.88
	380-403	24	181	73.7	15.13	1.00	3.87	-6.0	9.01, 0.00, 1.90	73.7	0.78
	404-444	41	286	37.4	8.73	1.00	4.64	27.0	15.00, 1.46, 0.00	37.4	0.81
	445-473	29	211	38.6	8.73	1.00	4.07	22.3	14.03, 2.74, 0.00	38.6	0.78
	474-516	43	318	35.8	6.21	1.00	3.35	23.1	9.45, 0.00, 2.34	35.8	0.85
	517-526	10	76	48.3	19.01	1.00	2.42	27.7	20.31, 10.64, 0.00	48.3	0.63

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=3.82 and residual=1.23)
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	41.3	7.60	1.00	4.84	36.8	0.00, 21.52, 0.00	41.3	0.86
	19-48	30	212	37.9	12.31	1.00	3.41	29.4	0.00, 6.59, 4.36	37.9	0.71
	49-78	30	231	42.0	7.95	1.00	4.22	32.9	18.55, 4.32, 0.00	42.0	0.84
	79-101	23	152	37.4	9.70	1.00	2.96	30.5	9.83, 1.45, 0.00	37.4	0.76
	102-128	27	190	36.6	8.08	1.00	4.13	27.7	25.54, 2.67, 0.00	36.6	0.81
	129-155	27	189	47.9	10.58	1.00	4.62	35.1	16.64, 0.00, 5.03	47.9	0.79
	156-183	28	198	59.5	12.03	1.00	4.12	45.0	21.08, 0.00, 8.68	59.5	0.82
	184-226	43	345	82.0	14.44	1.00	4.84	59.0	0.00, 6.15, 3.56	82.0	0.79
	227-245	19	141	109.2	9.70	1.00	4.20	109.2	0.00, 0.00, 0.00	109.2	0.90
	246-267	22	160	101.8	19.28	1.00	5.48	98.2	0.00, 8.95, 0.00	101.8	0.78
	268-283	16	111	92.7	18.50	1.00	3.22	76.5	0.00, 12.08, 0.00	92.7	0.79
	284-303	20	149	74.8	15.30	1.00	3.97	58.9	0.00, 6.17, 17.07	74.8	0.79
	304-320	17	127	109.0	12.22	1.00	3.42	106.5	8.01, 0.00, 0.00	109.0	0.87
	321-361	41	317	67.2	9.41	1.00	4.89	51.2	11.29, 0.00, 3.49	67.2	0.85
	362-379	18	135	54.0	7.05	1.00	2.91	49.0	30.04, 0.36, 0.00	54.0	0.88
	380-403	24	181	73.7	15.13	1.00	3.87	-6.0	9.01, 0.00, 1.90	73.7	0.78
	404-444	41	286	37.4	8.73	1.00	4.64	27.0	15.00, 1.46, 0.00	37.4	0.81
	445-473	29	211	38.6	8.73	1.00	4.07	22.3	14.03, 2.74, 0.00	38.6	0.78
	474-516	43	318	35.8	6.21	1.00	3.35	23.1	9.45, 0.00, 2.34	35.8	0.85
	517-526	10	76	48.3	19.01	1.00	2.42	27.7	20.31, 10.64, 0.00	48.3	0.63

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1 Released 11 February 2010