1KP8: Chain D TLS Analysis

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1

1KP8: Chain D TLS Analysis

Chain D 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 D

# 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=10.38 and residual=9.07)
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	55.6	23.00	1.00	10.50	44.2	0.00, 3.82, 0.00	55.6	0.64

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=9.03 and residual=6.87)
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	38.7	9.77	1.00	6.23	27.9	5.15, 0.00, 0.63	38.7	0.81
	112-526	415	3070	59.9	23.41	1.00	10.10	40.2	3.82, 0.23, 0.00	59.9	0.64

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=7.42 and residual=4.64)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-149	148	1059	39.1	9.45	1.00	6.66	24.8	3.63, 0.73, 0.00	39.1	0.84
	150-339	190	1417	77.3	18.99	1.00	8.05	47.4	7.75, 2.67, 0.91	77.3	0.75
	340-526	187	1379	46.0	15.97	1.00	8.04	30.4	0.00, 1.91, 3.06	46.0	0.72

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=6.67 and residual=3.75)
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	38.7	9.77	1.00	6.23	27.9	5.15, 0.00, 0.63	38.7	0.81
	112-285	174	1292	69.2	23.11	1.00	9.27	58.2	0.00, 4.71, 0.00	69.2	0.66
	286-398	113	852	69.6	17.76	1.00	7.03	45.3	0.00, 4.39, 5.72	69.6	0.75
	399-526	128	926	38.1	9.90	1.00	6.15	27.7	5.74, 0.89, 0.66	38.1	0.81

Summary of Optimal TLS Group Partition using 5 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 5 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>
	2-101	100	721	38.6	10.06	1.00	6.26	27.3	5.45, 0.00, 0.75	38.6	0.80
	102-187	86	611	48.6	13.86	1.00	6.84	26.9	9.12, 0.00, 2.95	48.6	0.75
	188-307	120	901	82.2	17.92	1.00	6.61	52.6	0.00, 7.59, 5.05	82.2	0.77
	308-398	91	696	68.3	16.93	1.00	6.42	47.4	7.27, 0.00, 3.51	68.3	0.77
	399-526	128	926	38.1	9.90	1.00	6.15	27.7	5.74, 0.89, 0.66	38.1	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=5.83 and residual=2.86)
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	39.6	10.16	1.00	5.80	33.2	9.41, 0.00, 0.00	39.6	0.80
	79-150	72	498	38.6	8.56	1.00	5.33	25.1	11.43, 0.00, 3.38	38.6	0.82
	151-193	43	308	59.5	11.67	1.00	5.38	46.6	14.46, 0.00, 6.96	59.5	0.82
	194-307	114	858	83.3	17.51	1.00	6.47	52.8	0.00, 7.79, 5.22	83.3	0.78
	308-398	91	696	68.3	16.93	1.00	6.42	47.4	7.27, 0.00, 3.51	68.3	0.77
	399-526	128	926	38.1	9.90	1.00	6.15	27.7	5.74, 0.89, 0.66	38.1	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=5.60 and residual=2.64)
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	39.6	10.16	1.00	5.80	33.2	9.41, 0.00, 0.00	39.6	0.80
	79-150	72	498	38.6	8.56	1.00	5.33	25.1	11.43, 0.00, 3.38	38.6	0.82
	151-193	43	308	59.5	11.67	1.00	5.38	46.6	14.46, 0.00, 6.96	59.5	0.82
	194-307	114	858	83.3	17.51	1.00	6.47	52.8	0.00, 7.79, 5.22	83.3	0.78
	308-397	90	688	68.4	16.99	1.00	6.38	47.7	7.49, 0.00, 3.47	68.4	0.77
	398-444	47	329	39.2	9.00	1.00	4.87	27.6	13.67, 1.67, 0.00	39.2	0.80
	445-526	82	605	37.8	10.55	1.00	5.70	24.4	9.70, 0.00, 2.48	37.8	0.78

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=5.43 and residual=2.48)
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	39.6	10.16	1.00	5.80	33.2	9.41, 0.00, 0.00	39.6	0.80
	79-150	72	498	38.6	8.56	1.00	5.33	25.1	11.43, 0.00, 3.38	38.6	0.82
	151-193	43	308	59.5	11.67	1.00	5.38	46.6	14.46, 0.00, 6.96	59.5	0.82
	194-283	90	680	84.9	16.63	1.00	6.01	53.3	0.00, 4.41, 7.07	84.9	0.79
	284-343	60	448	77.8	17.89	1.00	5.64	53.1	0.00, 8.84, 10.72	77.8	0.77
	344-397	54	418	62.1	13.85	1.00	6.63	46.3	8.54, 0.00, 4.09	62.1	0.80
	398-444	47	329	39.2	9.00	1.00	4.87	27.6	13.67, 1.67, 0.00	39.2	0.80
	445-526	82	605	37.8	10.55	1.00	5.70	24.4	9.70, 0.00, 2.48	37.8	0.78

Summary of Optimal TLS Group Partition using 9 Groups
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Analysis of TLS Group 9 Chain Segments (overall rmsd_b=5.22 and residual=2.29)
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	39.6	10.16	1.00	5.80	33.2	9.41, 0.00, 0.00	39.6	0.80
	79-150	72	498	38.6	8.56	1.00	5.33	25.1	11.43, 0.00, 3.38	38.6	0.82
	151-193	43	308	59.5	11.67	1.00	5.38	46.6	14.46, 0.00, 6.96	59.5	0.82
	194-283	90	680	84.9	16.63	1.00	6.01	53.3	0.00, 4.41, 7.07	84.9	0.79
	284-333	50	380	78.8	18.91	1.00	5.51	50.7	0.00, 9.47, 8.31	78.8	0.75
	334-368	35	279	60.6	10.41	1.00	5.73	48.0	22.04, 0.00, 5.30	60.6	0.84
	369-403	35	250	64.3	16.63	1.00	4.57	9.5	7.68, 0.00, 1.22	64.3	0.73
	404-444	41	286	37.7	8.44	1.00	4.70	25.9	15.02, 0.00, 1.07	37.7	0.81
	445-526	82	605	37.8	10.55	1.00	5.70	24.4	9.70, 0.00, 2.48	37.8	0.78

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=5.06 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>
	2-78	77	569	39.6	10.16	1.00	5.80	33.2	9.41, 0.00, 0.00	39.6	0.80
	79-150	72	498	38.6	8.56	1.00	5.33	25.1	11.43, 0.00, 3.38	38.6	0.82
	151-193	43	308	59.5	11.67	1.00	5.38	46.6	14.46, 0.00, 6.96	59.5	0.82
	194-283	90	680	84.9	16.63	1.00	6.01	53.3	0.00, 4.41, 7.07	84.9	0.79
	284-333	50	380	78.8	18.91	1.00	5.51	50.7	0.00, 9.47, 8.31	78.8	0.75
	334-368	35	279	60.6	10.41	1.00	5.73	48.0	22.04, 0.00, 5.30	60.6	0.84
	369-403	35	250	64.3	16.63	1.00	4.57	9.5	7.68, 0.00, 1.22	64.3	0.73
	404-444	41	286	37.7	8.44	1.00	4.70	25.9	15.02, 0.00, 1.07	37.7	0.81
	445-494	50	370	37.6	8.13	1.00	4.66	24.5	0.00, 9.55, 6.82	37.6	0.81
	495-526	32	235	38.0	13.50	1.00	4.50	30.3	18.68, 0.00, 0.00	38.0	0.72

Summary of Optimal TLS Group Partition using 11 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 11 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	39.6	10.16	1.00	5.80	33.2	9.41, 0.00, 0.00	39.6	0.80
	79-150	72	498	38.6	8.56	1.00	5.33	25.1	11.43, 0.00, 3.38	38.6	0.82
	151-183	33	231	57.6	10.96	1.00	4.26	43.2	0.00, 16.73, 8.79	57.6	0.82
	184-209	26	217	72.5	14.30	1.00	4.46	52.1	11.49, 2.93, 0.00	72.5	0.77
	210-283	74	540	87.1	16.53	1.00	6.01	47.5	0.00, 7.87, 5.63	87.1	0.80
	284-333	50	380	78.8	18.91	1.00	5.51	50.7	0.00, 9.47, 8.31	78.8	0.75
	334-368	35	279	60.6	10.41	1.00	5.73	48.0	22.04, 0.00, 5.30	60.6	0.84
	369-403	35	250	64.3	16.63	1.00	4.57	9.5	7.68, 0.00, 1.22	64.3	0.73
	404-444	41	286	37.7	8.44	1.00	4.70	25.9	15.02, 0.00, 1.07	37.7	0.81
	445-494	50	370	37.6	8.13	1.00	4.66	24.5	0.00, 9.55, 6.82	37.6	0.81
	495-526	32	235	38.0	13.50	1.00	4.50	30.3	18.68, 0.00, 0.00	38.0	0.72

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=4.77 and residual=1.92)
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	39.6	10.16	1.00	5.80	33.2	9.41, 0.00, 0.00	39.6	0.80
	79-150	72	498	38.6	8.56	1.00	5.33	25.1	11.43, 0.00, 3.38	38.6	0.82
	151-183	33	231	57.6	10.96	1.00	4.26	43.2	0.00, 16.73, 8.79	57.6	0.82
	184-209	26	217	72.5	14.30	1.00	4.46	52.1	11.49, 2.93, 0.00	72.5	0.77
	210-283	74	540	87.1	16.53	1.00	6.01	47.5	0.00, 7.87, 5.63	87.1	0.80
	284-333	50	380	78.8	18.91	1.00	5.51	50.7	0.00, 9.47, 8.31	78.8	0.75
	334-360	27	205	62.0	10.50	1.00	4.61	46.4	17.51, 0.00, 5.33	62.0	0.83
	361-388	28	205	61.7	15.84	1.00	5.02	44.3	23.39, 4.72, 0.00	61.7	0.76
	389-413	25	188	54.7	18.47	1.00	3.68	-38.8	24.46, 0.00, 0.98	54.7	0.66
	414-451	38	270	37.1	8.00	1.00	4.97	26.9	22.74, 1.59, 0.00	37.1	0.81
	452-494	43	317	37.9	7.68	1.00	4.31	26.7	0.00, 12.06, 8.56	37.9	0.82
	495-526	32	235	38.0	13.50	1.00	4.50	30.3	18.68, 0.00, 0.00	38.0	0.72

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=4.64 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	39.6	10.16	1.00	5.80	33.2	9.41, 0.00, 0.00	39.6	0.80
	79-150	72	498	38.6	8.56	1.00	5.33	25.1	11.43, 0.00, 3.38	38.6	0.82
	151-183	33	231	57.6	10.96	1.00	4.26	43.2	0.00, 16.73, 8.79	57.6	0.82
	184-209	26	217	72.5	14.30	1.00	4.46	52.1	11.49, 2.93, 0.00	72.5	0.77
	210-282	73	532	87.0	16.65	1.00	5.99	44.5	0.00, 7.89, 5.15	87.0	0.80
	283-302	20	148	70.4	13.61	1.00	3.79	56.0	17.57, 2.77, 0.00	70.4	0.81
	303-314	12	93	105.8	4.41	1.00	2.17	103.9	10.19, 0.00, 0.00	105.8	0.96
	315-360	46	352	65.6	11.81	1.00	4.79	45.6	0.00, 10.63, 4.86	65.6	0.82
	361-388	28	205	61.7	15.84	1.00	5.02	44.3	23.39, 4.72, 0.00	61.7	0.76
	389-413	25	188	54.7	18.47	1.00	3.68	-38.8	24.46, 0.00, 0.98	54.7	0.66
	414-451	38	270	37.1	8.00	1.00	4.97	26.9	22.74, 1.59, 0.00	37.1	0.81
	452-494	43	317	37.9	7.68	1.00	4.31	26.7	0.00, 12.06, 8.56	37.9	0.82
	495-526	32	235	38.0	13.50	1.00	4.50	30.3	18.68, 0.00, 0.00	38.0	0.72

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=4.51 and residual=1.72)
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	39.6	10.16	1.00	5.80	33.2	9.41, 0.00, 0.00	39.6	0.80
	79-131	53	368	37.2	8.69	1.00	4.80	24.8	0.00, 10.42, 5.81	37.2	0.80
	132-151	20	136	42.9	6.98	1.00	3.25	36.5	0.00, 27.27, 0.00	42.9	0.85
	152-183	32	225	57.7	11.08	1.00	4.10	43.4	17.90, 0.00, 8.19	57.7	0.82
	184-209	26	217	72.5	14.30	1.00	4.46	52.1	11.49, 2.93, 0.00	72.5	0.77
	210-282	73	532	87.0	16.65	1.00	5.99	44.5	0.00, 7.89, 5.15	87.0	0.80
	283-302	20	148	70.4	13.61	1.00	3.79	56.0	17.57, 2.77, 0.00	70.4	0.81
	303-314	12	93	105.8	4.41	1.00	2.17	103.9	10.19, 0.00, 0.00	105.8	0.96
	315-360	46	352	65.6	11.81	1.00	4.79	45.6	0.00, 10.63, 4.86	65.6	0.82
	361-388	28	205	61.7	15.84	1.00	5.02	44.3	23.39, 4.72, 0.00	61.7	0.76
	389-413	25	188	54.7	18.47	1.00	3.68	-38.8	24.46, 0.00, 0.98	54.7	0.66
	414-451	38	270	37.1	8.00	1.00	4.97	26.9	22.74, 1.59, 0.00	37.1	0.81
	452-494	43	317	37.9	7.68	1.00	4.31	26.7	0.00, 12.06, 8.56	37.9	0.82
	495-526	32	235	38.0	13.50	1.00	4.50	30.3	18.68, 0.00, 0.00	38.0	0.72

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>
	2-78	77	569	39.6	10.16	1.00	5.80	33.2	9.41, 0.00, 0.00	39.6	0.80
	79-149	71	490	38.4	8.50	1.00	5.19	25.3	11.03, 0.00, 3.32	38.4	0.82
	150-175	26	185	54.1	8.84	1.00	3.49	40.6	23.30, 0.00, 4.96	54.1	0.84
	176-200	25	194	65.3	10.30	1.00	4.99	52.9	0.00, 5.23, 6.32	65.3	0.85
	201-230	30	235	83.1	11.48	1.00	3.56	63.1	10.52, 2.68, 0.00	83.1	0.85
	231-245	15	111	97.3	9.18	1.00	3.46	92.5	18.26, 0.00, 0.00	97.3	0.91
	246-282	37	263	86.4	18.91	1.00	5.71	78.5	11.88, 0.00, 0.00	86.4	0.78
	283-302	20	148	70.4	13.61	1.00	3.79	56.0	17.57, 2.77, 0.00	70.4	0.81
	303-314	12	93	105.8	4.41	1.00	2.17	103.9	10.19, 0.00, 0.00	105.8	0.96
	315-360	46	352	65.6	11.81	1.00	4.79	45.6	0.00, 10.63, 4.86	65.6	0.82
	361-388	28	205	61.7	15.84	1.00	5.02	44.3	23.39, 4.72, 0.00	61.7	0.76
	389-413	25	188	54.7	18.47	1.00	3.68	-38.8	24.46, 0.00, 0.98	54.7	0.66
	414-451	38	270	37.1	8.00	1.00	4.97	26.9	22.74, 1.59, 0.00	37.1	0.81
	452-494	43	317	37.9	7.68	1.00	4.31	26.7	0.00, 12.06, 8.56	37.9	0.82
	495-526	32	235	38.0	13.50	1.00	4.50	30.3	18.68, 0.00, 0.00	38.0	0.72

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=4.24 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	39.6	10.16	1.00	5.80	33.2	9.41, 0.00, 0.00	39.6	0.80
	79-149	71	490	38.4	8.50	1.00	5.19	25.3	11.03, 0.00, 3.32	38.4	0.82
	150-175	26	185	54.1	8.84	1.00	3.49	40.6	23.30, 0.00, 4.96	54.1	0.84
	176-200	25	194	65.3	10.30	1.00	4.99	52.9	0.00, 5.23, 6.32	65.3	0.85
	201-230	30	235	83.1	11.48	1.00	3.56	63.1	10.52, 2.68, 0.00	83.1	0.85
	231-245	15	111	97.3	9.18	1.00	3.46	92.5	18.26, 0.00, 0.00	97.3	0.91
	246-267	22	160	88.1	17.61	1.00	4.96	83.3	0.00, 12.59, 0.00	88.1	0.77
	268-283	16	111	84.1	19.80	1.00	3.62	55.1	0.00, 6.91, 13.61	84.1	0.78
	284-302	19	140	69.3	13.20	1.00	3.39	55.4	19.51, 1.23, 0.00	69.3	0.81
	303-314	12	93	105.8	4.41	1.00	2.17	103.9	10.19, 0.00, 0.00	105.8	0.96
	315-360	46	352	65.6	11.81	1.00	4.79	45.6	0.00, 10.63, 4.86	65.6	0.82
	361-388	28	205	61.7	15.84	1.00	5.02	44.3	23.39, 4.72, 0.00	61.7	0.76
	389-413	25	188	54.7	18.47	1.00	3.68	-38.8	24.46, 0.00, 0.98	54.7	0.66
	414-451	38	270	37.1	8.00	1.00	4.97	26.9	22.74, 1.59, 0.00	37.1	0.81
	452-494	43	317	37.9	7.68	1.00	4.31	26.7	0.00, 12.06, 8.56	37.9	0.82
	495-526	32	235	38.0	13.50	1.00	4.50	30.3	18.68, 0.00, 0.00	38.0	0.72

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=4.12 and residual=1.43)
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	39.6	10.16	1.00	5.80	33.2	9.41, 0.00, 0.00	39.6	0.80
	79-131	53	368	37.2	8.69	1.00	4.80	24.8	0.00, 10.42, 5.81	37.2	0.80
	132-151	20	136	42.9	6.98	1.00	3.25	36.5	0.00, 27.27, 0.00	42.9	0.85
	152-175	24	171	54.4	9.14	1.00	3.12	40.8	23.39, 0.00, 8.43	54.4	0.83
	176-200	25	194	65.3	10.30	1.00	4.99	52.9	0.00, 5.23, 6.32	65.3	0.85
	201-230	30	235	83.1	11.48	1.00	3.56	63.1	10.52, 2.68, 0.00	83.1	0.85
	231-245	15	111	97.3	9.18	1.00	3.46	92.5	18.26, 0.00, 0.00	97.3	0.91
	246-267	22	160	88.1	17.61	1.00	4.96	83.3	0.00, 12.59, 0.00	88.1	0.77
	268-283	16	111	84.1	19.80	1.00	3.62	55.1	0.00, 6.91, 13.61	84.1	0.78
	284-302	19	140	69.3	13.20	1.00	3.39	55.4	19.51, 1.23, 0.00	69.3	0.81
	303-314	12	93	105.8	4.41	1.00	2.17	103.9	10.19, 0.00, 0.00	105.8	0.96
	315-360	46	352	65.6	11.81	1.00	4.79	45.6	0.00, 10.63, 4.86	65.6	0.82
	361-388	28	205	61.7	15.84	1.00	5.02	44.3	23.39, 4.72, 0.00	61.7	0.76
	389-413	25	188	54.7	18.47	1.00	3.68	-38.8	24.46, 0.00, 0.98	54.7	0.66
	414-451	38	270	37.1	8.00	1.00	4.97	26.9	22.74, 1.59, 0.00	37.1	0.81
	452-494	43	317	37.9	7.68	1.00	4.31	26.7	0.00, 12.06, 8.56	37.9	0.82
	495-526	32	235	38.0	13.50	1.00	4.50	30.3	18.68, 0.00, 0.00	38.0	0.72

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=4.01 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>
	2-48	47	338	38.9	11.28	1.00	4.78	30.8	9.79, 0.00, 0.00	38.9	0.74
	49-78	30	231	40.7	8.12	1.00	4.19	31.1	18.35, 4.35, 0.00	40.7	0.83
	79-131	53	368	37.2	8.69	1.00	4.80	24.8	0.00, 10.42, 5.81	37.2	0.80
	132-151	20	136	42.9	6.98	1.00	3.25	36.5	0.00, 27.27, 0.00	42.9	0.85
	152-175	24	171	54.4	9.14	1.00	3.12	40.8	23.39, 0.00, 8.43	54.4	0.83
	176-200	25	194	65.3	10.30	1.00	4.99	52.9	0.00, 5.23, 6.32	65.3	0.85
	201-230	30	235	83.1	11.48	1.00	3.56	63.1	10.52, 2.68, 0.00	83.1	0.85
	231-245	15	111	97.3	9.18	1.00	3.46	92.5	18.26, 0.00, 0.00	97.3	0.91
	246-267	22	160	88.1	17.61	1.00	4.96	83.3	0.00, 12.59, 0.00	88.1	0.77
	268-283	16	111	84.1	19.80	1.00	3.62	55.1	0.00, 6.91, 13.61	84.1	0.78
	284-302	19	140	69.3	13.20	1.00	3.39	55.4	19.51, 1.23, 0.00	69.3	0.81
	303-314	12	93	105.8	4.41	1.00	2.17	103.9	10.19, 0.00, 0.00	105.8	0.96
	315-360	46	352	65.6	11.81	1.00	4.79	45.6	0.00, 10.63, 4.86	65.6	0.82
	361-388	28	205	61.7	15.84	1.00	5.02	44.3	23.39, 4.72, 0.00	61.7	0.76
	389-413	25	188	54.7	18.47	1.00	3.68	-38.8	24.46, 0.00, 0.98	54.7	0.66
	414-451	38	270	37.1	8.00	1.00	4.97	26.9	22.74, 1.59, 0.00	37.1	0.81
	452-494	43	317	37.9	7.68	1.00	4.31	26.7	0.00, 12.06, 8.56	37.9	0.82
	495-526	32	235	38.0	13.50	1.00	4.50	30.3	18.68, 0.00, 0.00	38.0	0.72

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=3.89 and residual=1.28)
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	38.9	11.28	1.00	4.78	30.8	9.79, 0.00, 0.00	38.9	0.74
	49-78	30	231	40.7	8.12	1.00	4.19	31.1	18.35, 4.35, 0.00	40.7	0.83
	79-131	53	368	37.2	8.69	1.00	4.80	24.8	0.00, 10.42, 5.81	37.2	0.80
	132-151	20	136	42.9	6.98	1.00	3.25	36.5	0.00, 27.27, 0.00	42.9	0.85
	152-175	24	171	54.4	9.14	1.00	3.12	40.8	23.39, 0.00, 8.43	54.4	0.83
	176-200	25	194	65.3	10.30	1.00	4.99	52.9	0.00, 5.23, 6.32	65.3	0.85
	201-230	30	235	83.1	11.48	1.00	3.56	63.1	10.52, 2.68, 0.00	83.1	0.85
	231-245	15	111	97.3	9.18	1.00	3.46	92.5	18.26, 0.00, 0.00	97.3	0.91
	246-267	22	160	88.1	17.61	1.00	4.96	83.3	0.00, 12.59, 0.00	88.1	0.77
	268-283	16	111	84.1	19.80	1.00	3.62	55.1	0.00, 6.91, 13.61	84.1	0.78
	284-302	19	140	69.3	13.20	1.00	3.39	55.4	19.51, 1.23, 0.00	69.3	0.81
	303-314	12	93	105.8	4.41	1.00	2.17	103.9	10.19, 0.00, 0.00	105.8	0.96
	315-360	46	352	65.6	11.81	1.00	4.79	45.6	0.00, 10.63, 4.86	65.6	0.82
	361-380	20	152	53.6	7.66	1.00	4.07	46.8	26.70, 0.31, 0.00	53.6	0.87
	381-401	21	160	72.5	15.31	1.00	4.11	69.3	0.00, 21.87, 0.00	72.5	0.78
	402-422	21	139	36.3	9.09	1.00	2.85	26.3	9.02, 2.33, 0.00	36.3	0.77
	423-451	29	212	38.4	8.34	1.00	4.45	24.4	24.72, 1.49, 0.00	38.4	0.81
	452-494	43	317	37.9	7.68	1.00	4.31	26.7	0.00, 12.06, 8.56	37.9	0.82
	495-526	32	235	38.0	13.50	1.00	4.50	30.3	18.68, 0.00, 0.00	38.0	0.72

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=3.77 and residual=1.20)
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	38.9	11.28	1.00	4.78	30.8	9.79, 0.00, 0.00	38.9	0.74
	49-78	30	231	40.7	8.12	1.00	4.19	31.1	18.35, 4.35, 0.00	40.7	0.83
	79-131	53	368	37.2	8.69	1.00	4.80	24.8	0.00, 10.42, 5.81	37.2	0.80
	132-151	20	136	42.9	6.98	1.00	3.25	36.5	0.00, 27.27, 0.00	42.9	0.85
	152-175	24	171	54.4	9.14	1.00	3.12	40.8	23.39, 0.00, 8.43	54.4	0.83
	176-200	25	194	65.3	10.30	1.00	4.99	52.9	0.00, 5.23, 6.32	65.3	0.85
	201-230	30	235	83.1	11.48	1.00	3.56	63.1	10.52, 2.68, 0.00	83.1	0.85
	231-245	15	111	97.3	9.18	1.00	3.46	92.5	18.26, 0.00, 0.00	97.3	0.91
	246-267	22	160	88.1	17.61	1.00	4.96	83.3	0.00, 12.59, 0.00	88.1	0.77
	268-283	16	111	84.1	19.80	1.00	3.62	55.1	0.00, 6.91, 13.61	84.1	0.78
	284-302	19	140	69.3	13.20	1.00	3.39	55.4	19.51, 1.23, 0.00	69.3	0.81
	303-314	12	93	105.8	4.41	1.00	2.17	103.9	10.19, 0.00, 0.00	105.8	0.96
	315-345	31	230	70.2	11.21	1.00	4.15	46.1	12.27, 0.35, 2.88	70.2	0.85
	346-361	16	130	57.3	7.40	1.00	4.48	53.1	0.00, 20.38, 0.00	57.3	0.88
	362-378	17	127	52.9	7.58	1.00	3.43	48.0	31.80, 0.00, 0.00	52.9	0.87
	379-401	23	177	70.8	15.53	1.00	4.49	68.5	0.00, 10.33, 0.00	70.8	0.76
	402-422	21	139	36.3	9.09	1.00	2.85	26.3	9.02, 2.33, 0.00	36.3	0.77
	423-451	29	212	38.4	8.34	1.00	4.45	24.4	24.72, 1.49, 0.00	38.4	0.81
	452-494	43	317	37.9	7.68	1.00	4.31	26.7	0.00, 12.06, 8.56	37.9	0.82
	495-526	32	235	38.0	13.50	1.00	4.50	30.3	18.68, 0.00, 0.00	38.0	0.72

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1 Released 11 February 2010