1DV2: Chain A TLS Analysis

30 Mar 2010

JobID: TLSMD7780_IMKsrOzP

TLSMD Version 1.4.1

1DV2: Chain A TLS Analysis

Chain A 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 A

# 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
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Analysis of TLS Group 1 Chain Segments (overall rmsd_b=25.21 and residual=45.86)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-447	450	3469	34.2	29.04	1.00	25.37	11.2	6.22, 0.00, 2.62	34.2	0.63

Summary of Optimal TLS Group Partition using 2 Groups
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Analysis of TLS Group 2 Chain Segments (overall rmsd_b=24.50 and residual=43.33)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-207	210	1558	36.9	30.60	1.00	25.67	11.5	13.81, 0.00, 2.09	36.9	0.58
	208-447	240	1911	32.0	27.51	1.00	23.65	8.1	0.00, 5.33, 7.76	32.0	0.60

Summary of Optimal TLS Group Partition using 3 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 3 Chain Segments (overall rmsd_b=23.70 and residual=40.55)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-104	107	806	27.1	26.16	1.00	20.79	1.0	4.60, 9.76, 14.68	27.1	0.50
	105-206	102	745	47.5	31.64	1.00	27.37	19.5	17.01, 7.25, 0.00	47.5	0.67
	207-447	241	1918	32.0	27.48	1.00	23.63	8.1	0.00, 5.33, 7.72	32.0	0.61

Summary of Optimal TLS Group Partition using 4 Groups
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Analysis of TLS Group 4 Chain Segments (overall rmsd_b=23.20 and residual=38.84)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-104	107	806	27.1	26.16	1.00	20.79	1.0	4.60, 9.76, 14.68	27.1	0.50
	105-206	102	745	47.5	31.64	1.00	27.37	19.5	17.01, 7.25, 0.00	47.5	0.67
	207-330	124	987	30.8	26.43	1.00	21.69	9.1	14.73, 6.93, 0.00	30.8	0.57
	331-447	117	931	33.4	28.48	1.00	23.69	12.3	0.00, 7.55, 13.38	33.4	0.59

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=22.91 and residual=37.88)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-86	89	656	25.5	24.86	1.00	19.93	3.8	1.09, 9.16, 17.36	25.5	0.51
	87-149	63	467	38.3	30.80	1.00	25.46	29.0	20.66, 0.00, 0.00	38.3	0.59
	150-206	57	428	52.9	31.06	1.00	26.75	29.9	27.42, 12.67, 0.00	52.9	0.72
	207-330	124	987	30.8	26.43	1.00	21.69	9.1	14.73, 6.93, 0.00	30.8	0.57
	331-447	117	931	33.4	28.48	1.00	23.69	12.3	0.00, 7.55, 13.38	33.4	0.59

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=22.65 and residual=37.04)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-86	89	656	25.5	24.86	1.00	19.93	3.8	1.09, 9.16, 17.36	25.5	0.51
	87-130	44	334	33.4	28.06	1.00	22.79	16.6	48.35, 0.31, 0.00	33.4	0.56
	131-150	20	142	52.0	33.82	1.00	24.14	-2.5	66.79, 27.05, 0.00	52.0	0.58
	151-206	56	419	52.5	31.00	1.00	26.88	30.7	26.63, 12.49, 0.00	52.5	0.72
	207-330	124	987	30.8	26.43	1.00	21.69	9.1	14.73, 6.93, 0.00	30.8	0.57
	331-447	117	931	33.4	28.48	1.00	23.69	12.3	0.00, 7.55, 13.38	33.4	0.59

Summary of Optimal TLS Group Partition using 7 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 7 Chain Segments (overall rmsd_b=22.42 and residual=36.27)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-86	89	656	25.5	24.86	1.00	19.93	3.8	1.09, 9.16, 17.36	25.5	0.51
	87-130	44	334	33.4	28.06	1.00	22.79	16.6	48.35, 0.31, 0.00	33.4	0.56
	131-150	20	142	52.0	33.82	1.00	24.14	-2.5	66.79, 27.05, 0.00	52.0	0.58
	151-206	56	419	52.5	31.00	1.00	26.88	30.7	26.63, 12.49, 0.00	52.5	0.72
	207-330	124	987	30.8	26.43	1.00	21.69	9.1	14.73, 6.93, 0.00	30.8	0.57
	331-423	93	735	29.3	25.56	1.00	22.11	10.6	18.60, 6.25, 0.00	29.3	0.62
	424-447	24	196	48.4	33.43	1.00	25.32	20.4	0.00, 24.14, 34.17	48.4	0.58

Summary of Optimal TLS Group Partition using 8 Groups
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Analysis of TLS Group 8 Chain Segments (overall rmsd_b=22.23 and residual=35.66)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-86	89	656	25.5	24.86	1.00	19.93	3.8	1.09, 9.16, 17.36	25.5	0.51
	87-130	44	334	33.4	28.06	1.00	22.79	16.6	48.35, 0.31, 0.00	33.4	0.56
	131-150	20	142	52.0	33.82	1.00	24.14	-2.5	66.79, 27.05, 0.00	52.0	0.58
	151-206	56	419	52.5	31.00	1.00	26.88	30.7	26.63, 12.49, 0.00	52.5	0.72
	207-313	107	856	29.8	25.52	1.00	20.70	8.7	13.81, 7.98, 0.00	29.8	0.56
	314-330	17	131	37.4	30.94	1.00	23.57	12.8	89.29, 0.00, 6.30	37.4	0.55
	331-423	93	735	29.3	25.56	1.00	22.11	10.6	18.60, 6.25, 0.00	29.3	0.62
	424-447	24	196	48.4	33.43	1.00	25.32	20.4	0.00, 24.14, 34.17	48.4	0.58

Summary of Optimal TLS Group Partition using 9 Groups
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Analysis of TLS Group 9 Chain Segments (overall rmsd_b=22.06 and residual=35.12)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-42	45	344	27.9	28.45	1.00	20.08	4.0	0.00, 18.36, 24.61	27.9	0.41
	43-104	62	462	26.6	24.29	1.00	19.99	1.4	17.51, 7.70, 2.63	26.6	0.53
	105-130	26	184	32.6	26.23	1.00	21.84	4.8	42.41, 16.40, 0.00	32.6	0.61
	131-150	20	142	52.0	33.82	1.00	24.14	-2.5	66.79, 27.05, 0.00	52.0	0.58
	151-206	56	419	52.5	31.00	1.00	26.88	30.7	26.63, 12.49, 0.00	52.5	0.72
	207-313	107	856	29.8	25.52	1.00	20.70	8.7	13.81, 7.98, 0.00	29.8	0.56
	314-330	17	131	37.4	30.94	1.00	23.57	12.8	89.29, 0.00, 6.30	37.4	0.55
	331-423	93	735	29.3	25.56	1.00	22.11	10.6	18.60, 6.25, 0.00	29.3	0.62
	424-447	24	196	48.4	33.43	1.00	25.32	20.4	0.00, 24.14, 34.17	48.4	0.58

Summary of Optimal TLS Group Partition using 10 Groups
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Analysis of TLS Group 10 Chain Segments (overall rmsd_b=21.91 and residual=34.66)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-17	20	153	31.2	31.84	1.00	18.49	11.5	0.00, 9.07, 18.59	31.2	0.39
	18-42	25	191	25.3	25.12	1.00	19.35	6.1	33.34, 0.00, 14.18	25.3	0.48
	43-104	62	462	26.6	24.29	1.00	19.99	1.4	17.51, 7.70, 2.63	26.6	0.53
	105-130	26	184	32.6	26.23	1.00	21.84	4.8	42.41, 16.40, 0.00	32.6	0.61
	131-150	20	142	52.0	33.82	1.00	24.14	-2.5	66.79, 27.05, 0.00	52.0	0.58
	151-206	56	419	52.5	31.00	1.00	26.88	30.7	26.63, 12.49, 0.00	52.5	0.72
	207-313	107	856	29.8	25.52	1.00	20.70	8.7	13.81, 7.98, 0.00	29.8	0.56
	314-330	17	131	37.4	30.94	1.00	23.57	12.8	89.29, 0.00, 6.30	37.4	0.55
	331-423	93	735	29.3	25.56	1.00	22.11	10.6	18.60, 6.25, 0.00	29.3	0.62
	424-447	24	196	48.4	33.43	1.00	25.32	20.4	0.00, 24.14, 34.17	48.4	0.58

Summary of Optimal TLS Group Partition using 11 Groups
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Analysis of TLS Group 11 Chain Segments (overall rmsd_b=21.77 and residual=34.20)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-42	45	344	27.9	28.45	1.00	20.08	4.0	0.00, 18.36, 24.61	27.9	0.41
	43-86	44	312	22.8	19.84	1.00	18.38	5.2	14.07, 0.92, 6.97	22.8	0.69
	87-119	33	261	34.0	29.22	1.00	22.67	19.5	59.92, 0.00, 0.00	34.0	0.53
	120-138	19	124	33.5	25.45	1.00	22.00	28.7	0.00, 28.42, 0.00	33.5	0.63
	139-174	36	259	55.4	32.01	1.00	24.61	21.4	0.00, 41.26, 23.90	55.4	0.64
	175-193	19	139	58.5	31.59	1.00	26.82	37.0	136.32, 6.32, 0.00	58.5	0.75
	194-206	13	112	44.9	29.05	1.00	23.01	21.7	51.51, 13.05, 0.00	44.9	0.63
	207-313	107	856	29.8	25.52	1.00	20.70	8.7	13.81, 7.98, 0.00	29.8	0.56
	314-330	17	131	37.4	30.94	1.00	23.57	12.8	89.29, 0.00, 6.30	37.4	0.55
	331-423	93	735	29.3	25.56	1.00	22.11	10.6	18.60, 6.25, 0.00	29.3	0.62
	424-447	24	196	48.4	33.43	1.00	25.32	20.4	0.00, 24.14, 34.17	48.4	0.58

Summary of Optimal TLS Group Partition using 12 Groups
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Analysis of TLS Group 12 Chain Segments (overall rmsd_b=21.62 and residual=33.74)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-17	20	153	31.2	31.84	1.00	18.49	11.5	0.00, 9.07, 18.59	31.2	0.39
	18-42	25	191	25.3	25.12	1.00	19.35	6.1	33.34, 0.00, 14.18	25.3	0.48
	43-86	44	312	22.8	19.84	1.00	18.38	5.2	14.07, 0.92, 6.97	22.8	0.69
	87-119	33	261	34.0	29.22	1.00	22.67	19.5	59.92, 0.00, 0.00	34.0	0.53
	120-138	19	124	33.5	25.45	1.00	22.00	28.7	0.00, 28.42, 0.00	33.5	0.63
	139-174	36	259	55.4	32.01	1.00	24.61	21.4	0.00, 41.26, 23.90	55.4	0.64
	175-193	19	139	58.5	31.59	1.00	26.82	37.0	136.32, 6.32, 0.00	58.5	0.75
	194-206	13	112	44.9	29.05	1.00	23.01	21.7	51.51, 13.05, 0.00	44.9	0.63
	207-313	107	856	29.8	25.52	1.00	20.70	8.7	13.81, 7.98, 0.00	29.8	0.56
	314-330	17	131	37.4	30.94	1.00	23.57	12.8	89.29, 0.00, 6.30	37.4	0.55
	331-423	93	735	29.3	25.56	1.00	22.11	10.6	18.60, 6.25, 0.00	29.3	0.62
	424-447	24	196	48.4	33.43	1.00	25.32	20.4	0.00, 24.14, 34.17	48.4	0.58

Summary of Optimal TLS Group Partition using 13 Groups
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Analysis of TLS Group 13 Chain Segments (overall rmsd_b=21.48 and residual=33.31)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-17	20	153	31.2	31.84	1.00	18.49	11.5	0.00, 9.07, 18.59	31.2	0.39
	18-42	25	191	25.3	25.12	1.00	19.35	6.1	33.34, 0.00, 14.18	25.3	0.48
	43-86	44	312	22.8	19.84	1.00	18.38	5.2	14.07, 0.92, 6.97	22.8	0.69
	87-119	33	261	34.0	29.22	1.00	22.67	19.5	59.92, 0.00, 0.00	34.0	0.53
	120-138	19	124	33.5	25.45	1.00	22.00	28.7	0.00, 28.42, 0.00	33.5	0.63
	139-174	36	259	55.4	32.01	1.00	24.61	21.4	0.00, 41.26, 23.90	55.4	0.64
	175-193	19	139	58.5	31.59	1.00	26.82	37.0	136.32, 6.32, 0.00	58.5	0.75
	194-208	15	130	42.7	28.09	1.00	22.55	11.9	32.36, 4.51, 0.00	42.7	0.64
	209-247	39	301	31.1	25.98	1.00	18.54	10.8	35.45, 0.00, 4.49	31.1	0.50
	248-286	39	320	34.2	27.26	1.00	21.38	13.8	31.64, 9.33, 0.00	34.2	0.58
	287-330	44	348	27.6	26.09	1.00	21.88	6.1	18.77, 0.00, 7.63	27.6	0.56
	331-423	93	735	29.3	25.56	1.00	22.11	10.6	18.60, 6.25, 0.00	29.3	0.62
	424-447	24	196	48.4	33.43	1.00	25.32	20.4	0.00, 24.14, 34.17	48.4	0.58

Summary of Optimal TLS Group Partition using 14 Groups
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Analysis of TLS Group 14 Chain Segments (overall rmsd_b=21.34 and residual=32.86)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-17	20	153	31.2	31.84	1.00	18.49	11.5	0.00, 9.07, 18.59	31.2	0.39
	18-42	25	191	25.3	25.12	1.00	19.35	6.1	33.34, 0.00, 14.18	25.3	0.48
	43-86	44	312	22.8	19.84	1.00	18.38	5.2	14.07, 0.92, 6.97	22.8	0.69
	87-119	33	261	34.0	29.22	1.00	22.67	19.5	59.92, 0.00, 0.00	34.0	0.53
	120-138	19	124	33.5	25.45	1.00	22.00	28.7	0.00, 28.42, 0.00	33.5	0.63
	139-174	36	259	55.4	32.01	1.00	24.61	21.4	0.00, 41.26, 23.90	55.4	0.64
	175-193	19	139	58.5	31.59	1.00	26.82	37.0	136.32, 6.32, 0.00	58.5	0.75
	194-208	15	130	42.7	28.09	1.00	22.55	11.9	32.36, 4.51, 0.00	42.7	0.64
	209-247	39	301	31.1	25.98	1.00	18.54	10.8	35.45, 0.00, 4.49	31.1	0.50
	248-289	42	345	34.4	27.34	1.00	21.86	11.8	33.91, 9.06, 0.00	34.4	0.60
	290-313	24	192	19.5	18.24	1.00	17.38	10.2	15.67, 0.00, 6.88	19.5	0.72
	314-330	17	131	37.4	30.94	1.00	23.57	12.8	89.29, 0.00, 6.30	37.4	0.55
	331-423	93	735	29.3	25.56	1.00	22.11	10.6	18.60, 6.25, 0.00	29.3	0.62
	424-447	24	196	48.4	33.43	1.00	25.32	20.4	0.00, 24.14, 34.17	48.4	0.58

Summary of Optimal TLS Group Partition using 15 Groups
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Analysis of TLS Group 15 Chain Segments (overall rmsd_b=21.20 and residual=32.46)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-17	20	153	31.2	31.84	1.00	18.49	11.5	0.00, 9.07, 18.59	31.2	0.39
	18-42	25	191	25.3	25.12	1.00	19.35	6.1	33.34, 0.00, 14.18	25.3	0.48
	43-86	44	312	22.8	19.84	1.00	18.38	5.2	14.07, 0.92, 6.97	22.8	0.69
	87-119	33	261	34.0	29.22	1.00	22.67	19.5	59.92, 0.00, 0.00	34.0	0.53
	120-138	19	124	33.5	25.45	1.00	22.00	28.7	0.00, 28.42, 0.00	33.5	0.63
	139-174	36	259	55.4	32.01	1.00	24.61	21.4	0.00, 41.26, 23.90	55.4	0.64
	175-193	19	139	58.5	31.59	1.00	26.82	37.0	136.32, 6.32, 0.00	58.5	0.75
	194-208	15	130	42.7	28.09	1.00	22.55	11.9	32.36, 4.51, 0.00	42.7	0.64
	209-247	39	301	31.1	25.98	1.00	18.54	10.8	35.45, 0.00, 4.49	31.1	0.50
	248-289	42	345	34.4	27.34	1.00	21.86	11.8	33.91, 9.06, 0.00	34.4	0.60
	290-313	24	192	19.5	18.24	1.00	17.38	10.2	15.67, 0.00, 6.88	19.5	0.72
	314-330	17	131	37.4	30.94	1.00	23.57	12.8	89.29, 0.00, 6.30	37.4	0.55
	331-402	72	568	29.4	25.19	1.00	21.64	12.1	16.01, 5.35, 0.00	29.4	0.62
	403-424	22	175	28.5	26.42	1.00	22.20	14.0	28.37, 4.51, 0.00	28.5	0.60
	425-447	23	188	49.8	33.33	1.00	25.72	21.8	0.00, 24.22, 34.09	49.8	0.61

Summary of Optimal TLS Group Partition using 16 Groups
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Analysis of TLS Group 16 Chain Segments (overall rmsd_b=21.07 and residual=32.06)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-17	20	153	31.2	31.84	1.00	18.49	11.5	0.00, 9.07, 18.59	31.2	0.39
	18-42	25	191	25.3	25.12	1.00	19.35	6.1	33.34, 0.00, 14.18	25.3	0.48
	43-91	49	353	23.7	20.73	1.00	18.93	5.8	13.60, 6.04, 1.71	23.7	0.66
	92-104	13	109	35.8	31.60	1.00	20.52	6.5	0.00, 43.30, 32.12	35.8	0.40
	105-130	26	184	32.6	26.23	1.00	21.84	4.8	42.41, 16.40, 0.00	32.6	0.61
	131-150	20	142	52.0	33.82	1.00	24.14	-2.5	66.79, 27.05, 0.00	52.0	0.58
	151-174	24	168	52.6	30.67	1.00	24.02	27.4	46.07, 0.00, 19.65	52.6	0.65
	175-193	19	139	58.5	31.59	1.00	26.82	37.0	136.32, 6.32, 0.00	58.5	0.75
	194-208	15	130	42.7	28.09	1.00	22.55	11.9	32.36, 4.51, 0.00	42.7	0.64
	209-247	39	301	31.1	25.98	1.00	18.54	10.8	35.45, 0.00, 4.49	31.1	0.50
	248-289	42	345	34.4	27.34	1.00	21.86	11.8	33.91, 9.06, 0.00	34.4	0.60
	290-313	24	192	19.5	18.24	1.00	17.38	10.2	15.67, 0.00, 6.88	19.5	0.72
	314-330	17	131	37.4	30.94	1.00	23.57	12.8	89.29, 0.00, 6.30	37.4	0.55
	331-402	72	568	29.4	25.19	1.00	21.64	12.1	16.01, 5.35, 0.00	29.4	0.62
	403-424	22	175	28.5	26.42	1.00	22.20	14.0	28.37, 4.51, 0.00	28.5	0.60
	425-447	23	188	49.8	33.33	1.00	25.72	21.8	0.00, 24.22, 34.09	49.8	0.61

Summary of Optimal TLS Group Partition using 17 Groups
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Analysis of TLS Group 17 Chain Segments (overall rmsd_b=20.95 and residual=31.68)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-17	20	153	31.2	31.84	1.00	18.49	11.5	0.00, 9.07, 18.59	31.2	0.39
	18-42	25	191	25.3	25.12	1.00	19.35	6.1	33.34, 0.00, 14.18	25.3	0.48
	43-91	49	353	23.7	20.73	1.00	18.93	5.8	13.60, 6.04, 1.71	23.7	0.66
	92-104	13	109	35.8	31.60	1.00	20.52	6.5	0.00, 43.30, 32.12	35.8	0.40
	105-121	17	124	32.7	26.86	1.00	22.14	19.8	73.20, 0.00, 0.00	32.7	0.62
	122-130	9	60	32.3	24.89	1.00	15.91	11.1	104.87, 0.00, 33.40	32.3	0.49
	131-150	20	142	52.0	33.82	1.00	24.14	-2.5	66.79, 27.05, 0.00	52.0	0.58
	151-174	24	168	52.6	30.67	1.00	24.02	27.4	46.07, 0.00, 19.65	52.6	0.65
	175-193	19	139	58.5	31.59	1.00	26.82	37.0	136.32, 6.32, 0.00	58.5	0.75
	194-208	15	130	42.7	28.09	1.00	22.55	11.9	32.36, 4.51, 0.00	42.7	0.64
	209-247	39	301	31.1	25.98	1.00	18.54	10.8	35.45, 0.00, 4.49	31.1	0.50
	248-289	42	345	34.4	27.34	1.00	21.86	11.8	33.91, 9.06, 0.00	34.4	0.60
	290-313	24	192	19.5	18.24	1.00	17.38	10.2	15.67, 0.00, 6.88	19.5	0.72
	314-330	17	131	37.4	30.94	1.00	23.57	12.8	89.29, 0.00, 6.30	37.4	0.55
	331-402	72	568	29.4	25.19	1.00	21.64	12.1	16.01, 5.35, 0.00	29.4	0.62
	403-424	22	175	28.5	26.42	1.00	22.20	14.0	28.37, 4.51, 0.00	28.5	0.60
	425-447	23	188	49.8	33.33	1.00	25.72	21.8	0.00, 24.22, 34.09	49.8	0.61

Summary of Optimal TLS Group Partition using 18 Groups
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Analysis of TLS Group 18 Chain Segments (overall rmsd_b=20.83 and residual=31.33)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-17	20	153	31.2	31.84	1.00	18.49	11.5	0.00, 9.07, 18.59	31.2	0.39
	18-42	25	191	25.3	25.12	1.00	19.35	6.1	33.34, 0.00, 14.18	25.3	0.48
	43-91	49	353	23.7	20.73	1.00	18.93	5.8	13.60, 6.04, 1.71	23.7	0.66
	92-104	13	109	35.8	31.60	1.00	20.52	6.5	0.00, 43.30, 32.12	35.8	0.40
	105-121	17	124	32.7	26.86	1.00	22.14	19.8	73.20, 0.00, 0.00	32.7	0.62
	122-130	9	60	32.3	24.89	1.00	15.91	11.1	104.87, 0.00, 33.40	32.3	0.49
	131-150	20	142	52.0	33.82	1.00	24.14	-2.5	66.79, 27.05, 0.00	52.0	0.58
	151-174	24	168	52.6	30.67	1.00	24.02	27.4	46.07, 0.00, 19.65	52.6	0.65
	175-193	19	139	58.5	31.59	1.00	26.82	37.0	136.32, 6.32, 0.00	58.5	0.75
	194-208	15	130	42.7	28.09	1.00	22.55	11.9	32.36, 4.51, 0.00	42.7	0.64
	209-247	39	301	31.1	25.98	1.00	18.54	10.8	35.45, 0.00, 4.49	31.1	0.50
	248-289	42	345	34.4	27.34	1.00	21.86	11.8	33.91, 9.06, 0.00	34.4	0.60
	290-313	24	192	19.5	18.24	1.00	17.38	10.2	15.67, 0.00, 6.88	19.5	0.72
	314-326	13	98	36.4	30.22	1.00	19.41	8.2	145.35, 9.91, 0.00	36.4	0.49
	327-331	5	44	48.3	35.15	1.00	25.55	23.6	0.00, 288.98, 0.00	48.3	0.52
	332-402	71	557	28.6	24.32	1.00	21.41	13.9	14.44, 4.66, 0.00	28.6	0.65
	403-424	22	175	28.5	26.42	1.00	22.20	14.0	28.37, 4.51, 0.00	28.5	0.60
	425-447	23	188	49.8	33.33	1.00	25.72	21.8	0.00, 24.22, 34.09	49.8	0.61

Summary of Optimal TLS Group Partition using 19 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 19 Chain Segments (overall rmsd_b=20.71 and residual=30.97)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-17	20	153	31.2	31.84	1.00	18.49	11.5	0.00, 9.07, 18.59	31.2	0.39
	18-42	25	191	25.3	25.12	1.00	19.35	6.1	33.34, 0.00, 14.18	25.3	0.48
	43-91	49	353	23.7	20.73	1.00	18.93	5.8	13.60, 6.04, 1.71	23.7	0.66
	92-104	13	109	35.8	31.60	1.00	20.52	6.5	0.00, 43.30, 32.12	35.8	0.40
	105-121	17	124	32.7	26.86	1.00	22.14	19.8	73.20, 0.00, 0.00	32.7	0.62
	122-130	9	60	32.3	24.89	1.00	15.91	11.1	104.87, 0.00, 33.40	32.3	0.49
	131-150	20	142	52.0	33.82	1.00	24.14	-2.5	66.79, 27.05, 0.00	52.0	0.58
	151-174	24	168	52.6	30.67	1.00	24.02	27.4	46.07, 0.00, 19.65	52.6	0.65
	175-193	19	139	58.5	31.59	1.00	26.82	37.0	136.32, 6.32, 0.00	58.5	0.75
	194-208	15	130	42.7	28.09	1.00	22.55	11.9	32.36, 4.51, 0.00	42.7	0.64
	209-247	39	301	31.1	25.98	1.00	18.54	10.8	35.45, 0.00, 4.49	31.1	0.50
	248-289	42	345	34.4	27.34	1.00	21.86	11.8	33.91, 9.06, 0.00	34.4	0.60
	290-313	24	192	19.5	18.24	1.00	17.38	10.2	15.67, 0.00, 6.88	19.5	0.72
	314-326	13	98	36.4	30.22	1.00	19.41	8.2	145.35, 9.91, 0.00	36.4	0.49
	327-331	5	44	48.3	35.15	1.00	25.55	23.6	0.00, 288.98, 0.00	48.3	0.52
	332-402	71	557	28.6	24.32	1.00	21.41	13.9	14.44, 4.66, 0.00	28.6	0.65
	403-430	28	227	31.0	27.41	1.00	23.36	17.2	28.19, 5.79, 0.00	31.0	0.59
	431-436	6	42	53.5	31.44	1.00	23.96	43.7	0.00, 138.72, 0.00	53.5	0.65
	437-447	11	94	53.9	35.13	1.00	25.33	-8.9	45.46, 14.68, 0.00	53.9	0.55

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=20.60 and residual=30.63)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-17	20	153	31.2	31.84	1.00	18.49	11.5	0.00, 9.07, 18.59	31.2	0.39
	18-42	25	191	25.3	25.12	1.00	19.35	6.1	33.34, 0.00, 14.18	25.3	0.48
	43-91	49	353	23.7	20.73	1.00	18.93	5.8	13.60, 6.04, 1.71	23.7	0.66
	92-104	13	109	35.8	31.60	1.00	20.52	6.5	0.00, 43.30, 32.12	35.8	0.40
	105-121	17	124	32.7	26.86	1.00	22.14	19.8	73.20, 0.00, 0.00	32.7	0.62
	122-130	9	60	32.3	24.89	1.00	15.91	11.1	104.87, 0.00, 33.40	32.3	0.49
	131-150	20	142	52.0	33.82	1.00	24.14	-2.5	66.79, 27.05, 0.00	52.0	0.58
	151-174	24	168	52.6	30.67	1.00	24.02	27.4	46.07, 0.00, 19.65	52.6	0.65
	175-193	19	139	58.5	31.59	1.00	26.82	37.0	136.32, 6.32, 0.00	58.5	0.75
	194-208	15	130	42.7	28.09	1.00	22.55	11.9	32.36, 4.51, 0.00	42.7	0.64
	209-247	39	301	31.1	25.98	1.00	18.54	10.8	35.45, 0.00, 4.49	31.1	0.50
	248-259	12	105	42.9	32.54	1.00	23.47	18.6	112.45, 31.90, 0.00	42.9	0.55
	260-286	27	215	29.9	23.11	1.00	18.43	12.2	35.46, 7.89, 0.00	29.9	0.57
	287-313	27	217	21.6	20.48	1.00	18.59	9.8	0.00, 8.77, 13.23	21.6	0.65
	314-326	13	98	36.4	30.22	1.00	19.41	8.2	145.35, 9.91, 0.00	36.4	0.49
	327-331	5	44	48.3	35.15	1.00	25.55	23.6	0.00, 288.98, 0.00	48.3	0.52
	332-402	71	557	28.6	24.32	1.00	21.41	13.9	14.44, 4.66, 0.00	28.6	0.65
	403-430	28	227	31.0	27.41	1.00	23.36	17.2	28.19, 5.79, 0.00	31.0	0.59
	431-436	6	42	53.5	31.44	1.00	23.96	43.7	0.00, 138.72, 0.00	53.5	0.65
	437-447	11	94	53.9	35.13	1.00	25.33	-8.9	45.46, 14.68, 0.00	53.9	0.55

30 Mar 2010

JobID: TLSMD7780_IMKsrOzP

TLSMD Version 1.4.1 Released 11 February 2010