1DV2: Chain B TLS Analysis

30 Mar 2010

JobID: TLSMD7780_IMKsrOzP

TLSMD Version 1.4.1

1DV2: Chain B TLS Analysis

Chain B 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 B

# 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=25.02 and residual=45.00)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-447	448	3452	40.9	32.85	1.00	25.11	11.7	0.00, 5.45, 3.44	40.9	0.53

Summary of Optimal TLS Group Partition using 2 Groups
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Analysis of TLS Group 2 Chain Segments (overall rmsd_b=24.53 and residual=43.22)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-328	329	2504	43.6	33.78	1.00	25.25	14.0	6.97, 0.00, 3.23	43.6	0.53
	329-447	119	948	33.7	29.06	1.00	23.17	12.9	0.00, 6.51, 13.00	33.7	0.56

Summary of Optimal TLS Group Partition using 3 Groups
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Analysis of TLS Group 3 Chain Segments (overall rmsd_b=23.48 and residual=39.61)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-130	131	973	30.0	26.75	1.00	22.41	6.6	12.40, 0.09, 4.91	30.0	0.59
	131-238	108	820	66.8	33.21	1.00	23.78	56.2	0.00, 11.70, 0.00	66.8	0.63
	239-447	209	1659	34.5	28.94	1.00	24.12	7.9	0.00, 5.61, 6.54	34.5	0.57

Summary of Optimal TLS Group Partition using 4 Groups
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Analysis of TLS Group 4 Chain Segments (overall rmsd_b=22.86 and residual=37.56)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-93	94	701	25.4	23.80	1.00	20.02	5.5	1.58, 7.08, 15.41	25.4	0.56
	94-203	110	808	67.6	32.59	1.00	24.79	58.1	14.02, 0.00, 0.00	67.6	0.70
	204-328	125	995	37.0	29.39	1.00	23.62	12.6	14.21, 6.42, 0.00	37.0	0.58
	329-447	119	948	33.7	29.06	1.00	23.17	12.9	0.00, 6.51, 13.00	33.7	0.56

Summary of Optimal TLS Group Partition using 5 Groups
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Analysis of TLS Group 5 Chain Segments (overall rmsd_b=22.60 and residual=36.70)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-93	94	701	25.4	23.80	1.00	20.02	5.5	1.58, 7.08, 15.41	25.4	0.56
	94-123	30	225	39.0	29.06	1.00	23.12	28.3	52.18, 0.00, 0.00	39.0	0.59
	124-203	80	583	78.7	26.59	1.00	23.53	31.4	14.81, 1.29, 0.00	78.7	0.83
	204-328	125	995	37.0	29.39	1.00	23.62	12.6	14.21, 6.42, 0.00	37.0	0.58
	329-447	119	948	33.7	29.06	1.00	23.17	12.9	0.00, 6.51, 13.00	33.7	0.56

Summary of Optimal TLS Group Partition using 6 Groups
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Analysis of TLS Group 6 Chain Segments (overall rmsd_b=22.39 and residual=36.04)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-93	94	701	25.4	23.80	1.00	20.02	5.5	1.58, 7.08, 15.41	25.4	0.56
	94-123	30	225	39.0	29.06	1.00	23.12	28.3	52.18, 0.00, 0.00	39.0	0.59
	124-205	82	600	78.6	26.70	1.00	23.57	27.1	15.21, 1.19, 0.00	78.6	0.82
	206-248	43	335	36.1	28.17	1.00	20.93	15.4	27.60, 6.74, 0.00	36.1	0.57
	249-328	80	643	36.5	29.36	1.00	24.11	10.7	18.83, 6.47, 0.00	36.5	0.58
	329-447	119	948	33.7	29.06	1.00	23.17	12.9	0.00, 6.51, 13.00	33.7	0.56

Summary of Optimal TLS Group Partition using 7 Groups
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Analysis of TLS Group 7 Chain Segments (overall rmsd_b=22.16 and residual=35.30)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-93	94	701	25.4	23.80	1.00	20.02	5.5	1.58, 7.08, 15.41	25.4	0.56
	94-123	30	225	39.0	29.06	1.00	23.12	28.3	52.18, 0.00, 0.00	39.0	0.59
	124-205	82	600	78.6	26.70	1.00	23.57	27.1	15.21, 1.19, 0.00	78.6	0.82
	206-247	42	327	36.1	28.29	1.00	20.91	15.5	28.80, 6.48, 0.00	36.1	0.57
	248-291	44	360	40.0	29.00	1.00	23.12	18.6	32.07, 8.07, 0.00	40.0	0.61
	292-328	37	291	32.1	29.06	1.00	23.60	15.0	24.89, 0.00, 1.66	32.1	0.51
	329-447	119	948	33.7	29.06	1.00	23.17	12.9	0.00, 6.51, 13.00	33.7	0.56

Summary of Optimal TLS Group Partition using 8 Groups
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Analysis of TLS Group 8 Chain Segments (overall rmsd_b=21.98 and residual=34.71)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-93	94	701	25.4	23.80	1.00	20.02	5.5	1.58, 7.08, 15.41	25.4	0.56
	94-123	30	225	39.0	29.06	1.00	23.12	28.3	52.18, 0.00, 0.00	39.0	0.59
	124-205	82	600	78.6	26.70	1.00	23.57	27.1	15.21, 1.19, 0.00	78.6	0.82
	206-247	42	327	36.1	28.29	1.00	20.91	15.5	28.80, 6.48, 0.00	36.1	0.57
	248-291	44	360	40.0	29.00	1.00	23.12	18.6	32.07, 8.07, 0.00	40.0	0.61
	292-331	40	319	34.6	30.77	1.00	24.29	12.8	0.00, 23.70, 11.68	34.6	0.50
	332-418	87	680	26.6	23.65	1.00	20.36	12.6	19.99, 0.00, 2.74	26.6	0.62
	419-447	29	240	50.6	33.03	1.00	26.12	-104.2	35.65, 1.85, 0.00	50.6	0.63

Summary of Optimal TLS Group Partition using 9 Groups
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Analysis of TLS Group 9 Chain Segments (overall rmsd_b=21.82 and residual=34.23)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-86	87	646	25.1	23.72	1.00	19.71	4.7	0.66, 10.02, 15.76	25.1	0.53
	87-110	24	188	32.3	26.49	1.00	19.63	7.3	64.02, 0.00, 5.64	32.3	0.53
	111-132	22	153	50.4	30.35	1.00	26.79	26.3	46.15, 9.16, 0.00	50.4	0.74
	133-201	69	501	82.0	24.51	1.00	22.38	63.9	15.76, 9.55, 3.47	82.0	0.87
	202-247	46	365	39.6	30.13	1.00	22.13	15.7	13.59, 9.41, 0.00	39.6	0.57
	248-291	44	360	40.0	29.00	1.00	23.12	18.6	32.07, 8.07, 0.00	40.0	0.61
	292-331	40	319	34.6	30.77	1.00	24.29	12.8	0.00, 23.70, 11.68	34.6	0.50
	332-418	87	680	26.6	23.65	1.00	20.36	12.6	19.99, 0.00, 2.74	26.6	0.62
	419-447	29	240	50.6	33.03	1.00	26.12	-104.2	35.65, 1.85, 0.00	50.6	0.63

Summary of Optimal TLS Group Partition using 10 Groups
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Analysis of TLS Group 10 Chain Segments (overall rmsd_b=21.69 and residual=33.79)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-86	87	646	25.1	23.72	1.00	19.71	4.7	0.66, 10.02, 15.76	25.1	0.53
	87-110	24	188	32.3	26.49	1.00	19.63	7.3	64.02, 0.00, 5.64	32.3	0.53
	111-132	22	153	50.4	30.35	1.00	26.79	26.3	46.15, 9.16, 0.00	50.4	0.74
	133-201	69	501	82.0	24.51	1.00	22.38	63.9	15.76, 9.55, 3.47	82.0	0.87
	202-247	46	365	39.6	30.13	1.00	22.13	15.7	13.59, 9.41, 0.00	39.6	0.57
	248-291	44	360	40.0	29.00	1.00	23.12	18.6	32.07, 8.07, 0.00	40.0	0.61
	292-320	29	226	25.7	24.56	1.00	21.87	12.8	27.81, 0.00, 1.99	25.7	0.60
	321-331	11	93	56.1	33.54	1.00	25.37	5.7	82.75, 0.00, 27.50	56.1	0.60
	332-418	87	680	26.6	23.65	1.00	20.36	12.6	19.99, 0.00, 2.74	26.6	0.62
	419-447	29	240	50.6	33.03	1.00	26.12	-104.2	35.65, 1.85, 0.00	50.6	0.63

Summary of Optimal TLS Group Partition using 11 Groups
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Analysis of TLS Group 11 Chain Segments (overall rmsd_b=21.56 and residual=33.40)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-86	87	646	25.1	23.72	1.00	19.71	4.7	0.66, 10.02, 15.76	25.1	0.53
	87-110	24	188	32.3	26.49	1.00	19.63	7.3	64.02, 0.00, 5.64	32.3	0.53
	111-132	22	153	50.4	30.35	1.00	26.79	26.3	46.15, 9.16, 0.00	50.4	0.74
	133-201	69	501	82.0	24.51	1.00	22.38	63.9	15.76, 9.55, 3.47	82.0	0.87
	202-247	46	365	39.6	30.13	1.00	22.13	15.7	13.59, 9.41, 0.00	39.6	0.57
	248-291	44	360	40.0	29.00	1.00	23.12	18.6	32.07, 8.07, 0.00	40.0	0.61
	292-320	29	226	25.7	24.56	1.00	21.87	12.8	27.81, 0.00, 1.99	25.7	0.60
	321-331	11	93	56.1	33.54	1.00	25.37	5.7	82.75, 0.00, 27.50	56.1	0.60
	332-405	74	579	26.2	23.69	1.00	20.22	12.8	19.79, 0.00, 2.10	26.2	0.62
	406-440	35	285	38.4	28.73	1.00	24.03	11.8	25.76, 0.00, 6.51	38.4	0.60
	441-447	7	56	73.7	31.76	1.00	23.44	54.4	0.00, 164.01, 0.00	73.7	0.71

Summary of Optimal TLS Group Partition using 12 Groups
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Analysis of TLS Group 12 Chain Segments (overall rmsd_b=21.43 and residual=33.01)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-86	87	646	25.1	23.72	1.00	19.71	4.7	0.66, 10.02, 15.76	25.1	0.53
	87-110	24	188	32.3	26.49	1.00	19.63	7.3	64.02, 0.00, 5.64	32.3	0.53
	111-154	44	316	67.5	32.16	1.00	25.84	59.6	20.68, 0.00, 0.00	67.5	0.70
	155-199	45	321	81.4	24.23	1.00	21.32	70.1	18.28, 0.00, 0.00	81.4	0.85
	200-208	9	81	60.1	32.57	1.00	22.83	42.9	0.00, 0.00, 0.00	60.1	0.61
	209-247	39	301	36.2	28.43	1.00	20.12	13.3	32.40, 6.53, 0.00	36.2	0.52
	248-291	44	360	40.0	29.00	1.00	23.12	18.6	32.07, 8.07, 0.00	40.0	0.61
	292-320	29	226	25.7	24.56	1.00	21.87	12.8	27.81, 0.00, 1.99	25.7	0.60
	321-331	11	93	56.1	33.54	1.00	25.37	5.7	82.75, 0.00, 27.50	56.1	0.60
	332-405	74	579	26.2	23.69	1.00	20.22	12.8	19.79, 0.00, 2.10	26.2	0.62
	406-440	35	285	38.4	28.73	1.00	24.03	11.8	25.76, 0.00, 6.51	38.4	0.60
	441-447	7	56	73.7	31.76	1.00	23.44	54.4	0.00, 164.01, 0.00	73.7	0.71

Summary of Optimal TLS Group Partition using 13 Groups
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Analysis of TLS Group 13 Chain Segments (overall rmsd_b=21.31 and residual=32.64)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-86	87	646	25.1	23.72	1.00	19.71	4.7	0.66, 10.02, 15.76	25.1	0.53
	87-110	24	188	32.3	26.49	1.00	19.63	7.3	64.02, 0.00, 5.64	32.3	0.53
	111-154	44	316	67.5	32.16	1.00	25.84	59.6	20.68, 0.00, 0.00	67.5	0.70
	155-199	45	321	81.4	24.23	1.00	21.32	70.1	18.28, 0.00, 0.00	81.4	0.85
	200-208	9	81	60.1	32.57	1.00	22.83	42.9	0.00, 0.00, 0.00	60.1	0.61
	209-247	39	301	36.2	28.43	1.00	20.12	13.3	32.40, 6.53, 0.00	36.2	0.52
	248-291	44	360	40.0	29.00	1.00	23.12	18.6	32.07, 8.07, 0.00	40.0	0.61
	292-320	29	226	25.7	24.56	1.00	21.87	12.8	27.81, 0.00, 1.99	25.7	0.60
	321-327	7	58	56.4	31.83	1.00	21.83	37.8	140.63, 0.00, 0.00	56.4	0.59
	328-335	8	61	39.6	34.28	1.00	19.25	0.7	102.77, 0.00, 9.94	39.6	0.38
	336-405	70	553	26.6	24.00	1.00	20.46	12.5	20.16, 0.00, 2.45	26.6	0.62
	406-440	35	285	38.4	28.73	1.00	24.03	11.8	25.76, 0.00, 6.51	38.4	0.60
	441-447	7	56	73.7	31.76	1.00	23.44	54.4	0.00, 164.01, 0.00	73.7	0.71

Summary of Optimal TLS Group Partition using 14 Groups
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Analysis of TLS Group 14 Chain Segments (overall rmsd_b=21.19 and residual=32.28)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-40	41	317	26.3	26.00	1.00	18.74	3.7	0.00, 23.02, 16.68	26.3	0.43
	41-93	53	384	24.7	21.80	1.00	20.01	8.4	14.90, 5.60, 0.00	24.7	0.66
	94-114	21	164	35.9	29.25	1.00	22.33	18.7	62.12, 0.00, 0.11	35.9	0.53
	115-154	40	285	69.9	30.89	1.00	24.57	61.3	26.15, 0.00, 0.00	69.9	0.72
	155-199	45	321	81.4	24.23	1.00	21.32	70.1	18.28, 0.00, 0.00	81.4	0.85
	200-208	9	81	60.1	32.57	1.00	22.83	42.9	0.00, 0.00, 0.00	60.1	0.61
	209-247	39	301	36.2	28.43	1.00	20.12	13.3	32.40, 6.53, 0.00	36.2	0.52
	248-291	44	360	40.0	29.00	1.00	23.12	18.6	32.07, 8.07, 0.00	40.0	0.61
	292-320	29	226	25.7	24.56	1.00	21.87	12.8	27.81, 0.00, 1.99	25.7	0.60
	321-327	7	58	56.4	31.83	1.00	21.83	37.8	140.63, 0.00, 0.00	56.4	0.59
	328-335	8	61	39.6	34.28	1.00	19.25	0.7	102.77, 0.00, 9.94	39.6	0.38
	336-405	70	553	26.6	24.00	1.00	20.46	12.5	20.16, 0.00, 2.45	26.6	0.62
	406-440	35	285	38.4	28.73	1.00	24.03	11.8	25.76, 0.00, 6.51	38.4	0.60
	441-447	7	56	73.7	31.76	1.00	23.44	54.4	0.00, 164.01, 0.00	73.7	0.71

Summary of Optimal TLS Group Partition using 15 Groups
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Analysis of TLS Group 15 Chain Segments (overall rmsd_b=21.08 and residual=31.94)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-32	33	256	25.9	25.37	1.00	17.55	7.4	0.00, 8.59, 21.42	25.9	0.45
	33-38	6	44	31.1	31.68	1.00	16.81	17.0	178.59, 0.04, 0.00	31.1	0.31
	39-93	55	401	24.5	21.56	1.00	19.75	8.4	14.88, 6.13, 0.00	24.5	0.67
	94-114	21	164	35.9	29.25	1.00	22.33	18.7	62.12, 0.00, 0.11	35.9	0.53
	115-154	40	285	69.9	30.89	1.00	24.57	61.3	26.15, 0.00, 0.00	69.9	0.72
	155-199	45	321	81.4	24.23	1.00	21.32	70.1	18.28, 0.00, 0.00	81.4	0.85
	200-208	9	81	60.1	32.57	1.00	22.83	42.9	0.00, 0.00, 0.00	60.1	0.61
	209-247	39	301	36.2	28.43	1.00	20.12	13.3	32.40, 6.53, 0.00	36.2	0.52
	248-291	44	360	40.0	29.00	1.00	23.12	18.6	32.07, 8.07, 0.00	40.0	0.61
	292-320	29	226	25.7	24.56	1.00	21.87	12.8	27.81, 0.00, 1.99	25.7	0.60
	321-327	7	58	56.4	31.83	1.00	21.83	37.8	140.63, 0.00, 0.00	56.4	0.59
	328-335	8	61	39.6	34.28	1.00	19.25	0.7	102.77, 0.00, 9.94	39.6	0.38
	336-405	70	553	26.6	24.00	1.00	20.46	12.5	20.16, 0.00, 2.45	26.6	0.62
	406-440	35	285	38.4	28.73	1.00	24.03	11.8	25.76, 0.00, 6.51	38.4	0.60
	441-447	7	56	73.7	31.76	1.00	23.44	54.4	0.00, 164.01, 0.00	73.7	0.71

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=20.97 and residual=31.60)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-32	33	256	25.9	25.37	1.00	17.55	7.4	0.00, 8.59, 21.42	25.9	0.45
	33-55	23	167	24.8	23.81	1.00	20.02	10.0	0.00, 31.83, 17.66	24.8	0.58
	56-87	32	232	24.9	21.96	1.00	19.75	10.0	24.12, 0.01, 0.00	24.9	0.63
	88-110	23	179	32.1	26.43	1.00	19.40	9.6	60.21, 0.00, 3.48	32.1	0.51
	111-132	22	153	50.4	30.35	1.00	26.79	26.3	46.15, 9.16, 0.00	50.4	0.74
	133-156	24	177	81.4	25.64	1.00	22.27	68.4	0.00, 30.21, 0.00	81.4	0.82
	157-199	43	307	82.6	23.63	1.00	21.02	-63.5	16.02, 0.65, 0.00	82.6	0.86
	200-208	9	81	60.1	32.57	1.00	22.83	42.9	0.00, 0.00, 0.00	60.1	0.61
	209-247	39	301	36.2	28.43	1.00	20.12	13.3	32.40, 6.53, 0.00	36.2	0.52
	248-291	44	360	40.0	29.00	1.00	23.12	18.6	32.07, 8.07, 0.00	40.0	0.61
	292-320	29	226	25.7	24.56	1.00	21.87	12.8	27.81, 0.00, 1.99	25.7	0.60
	321-327	7	58	56.4	31.83	1.00	21.83	37.8	140.63, 0.00, 0.00	56.4	0.59
	328-335	8	61	39.6	34.28	1.00	19.25	0.7	102.77, 0.00, 9.94	39.6	0.38
	336-405	70	553	26.6	24.00	1.00	20.46	12.5	20.16, 0.00, 2.45	26.6	0.62
	406-440	35	285	38.4	28.73	1.00	24.03	11.8	25.76, 0.00, 6.51	38.4	0.60
	441-447	7	56	73.7	31.76	1.00	23.44	54.4	0.00, 164.01, 0.00	73.7	0.71

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=20.86 and residual=31.27)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-32	33	256	25.9	25.37	1.00	17.55	7.4	0.00, 8.59, 21.42	25.9	0.45
	33-55	23	167	24.8	23.81	1.00	20.02	10.0	0.00, 31.83, 17.66	24.8	0.58
	56-87	32	232	24.9	21.96	1.00	19.75	10.0	24.12, 0.01, 0.00	24.9	0.63
	88-110	23	179	32.1	26.43	1.00	19.40	9.6	60.21, 0.00, 3.48	32.1	0.51
	111-132	22	153	50.4	30.35	1.00	26.79	26.3	46.15, 9.16, 0.00	50.4	0.74
	133-156	24	177	81.4	25.64	1.00	22.27	68.4	0.00, 30.21, 0.00	81.4	0.82
	157-199	43	307	82.6	23.63	1.00	21.02	-63.5	16.02, 0.65, 0.00	82.6	0.86
	200-208	9	81	60.1	32.57	1.00	22.83	42.9	0.00, 0.00, 0.00	60.1	0.61
	209-235	27	213	35.2	27.17	1.00	19.74	14.1	31.57, 0.00, 10.20	35.2	0.55
	236-251	16	119	39.9	31.13	1.00	20.02	-31.7	71.61, 0.71, 0.00	39.9	0.47
	252-291	40	329	39.6	28.79	1.00	22.59	19.0	34.48, 7.19, 0.00	39.6	0.60
	292-320	29	226	25.7	24.56	1.00	21.87	12.8	27.81, 0.00, 1.99	25.7	0.60
	321-327	7	58	56.4	31.83	1.00	21.83	37.8	140.63, 0.00, 0.00	56.4	0.59
	328-335	8	61	39.6	34.28	1.00	19.25	0.7	102.77, 0.00, 9.94	39.6	0.38
	336-405	70	553	26.6	24.00	1.00	20.46	12.5	20.16, 0.00, 2.45	26.6	0.62
	406-440	35	285	38.4	28.73	1.00	24.03	11.8	25.76, 0.00, 6.51	38.4	0.60
	441-447	7	56	73.7	31.76	1.00	23.44	54.4	0.00, 164.01, 0.00	73.7	0.71

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=20.76 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>
	1-32	33	256	25.9	25.37	1.00	17.55	7.4	0.00, 8.59, 21.42	25.9	0.45
	33-55	23	167	24.8	23.81	1.00	20.02	10.0	0.00, 31.83, 17.66	24.8	0.58
	56-85	30	217	24.5	21.75	1.00	19.66	-26.4	23.80, 2.32, 0.00	24.5	0.64
	86-97	12	97	35.3	29.01	1.00	18.50	8.8	94.31, 42.49, 0.00	35.3	0.47
	98-110	13	97	28.6	22.70	1.00	18.14	20.1	58.34, 0.00, 0.00	28.6	0.55
	111-132	22	153	50.4	30.35	1.00	26.79	26.3	46.15, 9.16, 0.00	50.4	0.74
	133-156	24	177	81.4	25.64	1.00	22.27	68.4	0.00, 30.21, 0.00	81.4	0.82
	157-199	43	307	82.6	23.63	1.00	21.02	-63.5	16.02, 0.65, 0.00	82.6	0.86
	200-208	9	81	60.1	32.57	1.00	22.83	42.9	0.00, 0.00, 0.00	60.1	0.61
	209-235	27	213	35.2	27.17	1.00	19.74	14.1	31.57, 0.00, 10.20	35.2	0.55
	236-251	16	119	39.9	31.13	1.00	20.02	-31.7	71.61, 0.71, 0.00	39.9	0.47
	252-291	40	329	39.6	28.79	1.00	22.59	19.0	34.48, 7.19, 0.00	39.6	0.60
	292-320	29	226	25.7	24.56	1.00	21.87	12.8	27.81, 0.00, 1.99	25.7	0.60
	321-327	7	58	56.4	31.83	1.00	21.83	37.8	140.63, 0.00, 0.00	56.4	0.59
	328-335	8	61	39.6	34.28	1.00	19.25	0.7	102.77, 0.00, 9.94	39.6	0.38
	336-405	70	553	26.6	24.00	1.00	20.46	12.5	20.16, 0.00, 2.45	26.6	0.62
	406-440	35	285	38.4	28.73	1.00	24.03	11.8	25.76, 0.00, 6.51	38.4	0.60
	441-447	7	56	73.7	31.76	1.00	23.44	54.4	0.00, 164.01, 0.00	73.7	0.71

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=20.67 and residual=30.70)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-32	33	256	25.9	25.37	1.00	17.55	7.4	0.00, 8.59, 21.42	25.9	0.45
	33-55	23	167	24.8	23.81	1.00	20.02	10.0	0.00, 31.83, 17.66	24.8	0.58
	56-85	30	217	24.5	21.75	1.00	19.66	-26.4	23.80, 2.32, 0.00	24.5	0.64
	86-97	12	97	35.3	29.01	1.00	18.50	8.8	94.31, 42.49, 0.00	35.3	0.47
	98-110	13	97	28.6	22.70	1.00	18.14	20.1	58.34, 0.00, 0.00	28.6	0.55
	111-117	7	55	51.6	32.47	1.00	28.99	46.6	39.28, 0.00, 0.00	51.6	0.70
	118-132	15	98	49.8	29.08	1.00	24.12	18.0	64.72, 8.16, 0.00	49.8	0.70
	133-156	24	177	81.4	25.64	1.00	22.27	68.4	0.00, 30.21, 0.00	81.4	0.82
	157-199	43	307	82.6	23.63	1.00	21.02	-63.5	16.02, 0.65, 0.00	82.6	0.86
	200-208	9	81	60.1	32.57	1.00	22.83	42.9	0.00, 0.00, 0.00	60.1	0.61
	209-235	27	213	35.2	27.17	1.00	19.74	14.1	31.57, 0.00, 10.20	35.2	0.55
	236-251	16	119	39.9	31.13	1.00	20.02	-31.7	71.61, 0.71, 0.00	39.9	0.47
	252-291	40	329	39.6	28.79	1.00	22.59	19.0	34.48, 7.19, 0.00	39.6	0.60
	292-320	29	226	25.7	24.56	1.00	21.87	12.8	27.81, 0.00, 1.99	25.7	0.60
	321-327	7	58	56.4	31.83	1.00	21.83	37.8	140.63, 0.00, 0.00	56.4	0.59
	328-335	8	61	39.6	34.28	1.00	19.25	0.7	102.77, 0.00, 9.94	39.6	0.38
	336-405	70	553	26.6	24.00	1.00	20.46	12.5	20.16, 0.00, 2.45	26.6	0.62
	406-440	35	285	38.4	28.73	1.00	24.03	11.8	25.76, 0.00, 6.51	38.4	0.60
	441-447	7	56	73.7	31.76	1.00	23.44	54.4	0.00, 164.01, 0.00	73.7	0.71

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=20.58 and residual=30.45)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-32	33	256	25.9	25.37	1.00	17.55	7.4	0.00, 8.59, 21.42	25.9	0.45
	33-55	23	167	24.8	23.81	1.00	20.02	10.0	0.00, 31.83, 17.66	24.8	0.58
	56-85	30	217	24.5	21.75	1.00	19.66	-26.4	23.80, 2.32, 0.00	24.5	0.64
	86-97	12	97	35.3	29.01	1.00	18.50	8.8	94.31, 42.49, 0.00	35.3	0.47
	98-110	13	97	28.6	22.70	1.00	18.14	20.1	58.34, 0.00, 0.00	28.6	0.55
	111-117	7	55	51.6	32.47	1.00	28.99	46.6	39.28, 0.00, 0.00	51.6	0.70
	118-132	15	98	49.8	29.08	1.00	24.12	18.0	64.72, 8.16, 0.00	49.8	0.70
	133-156	24	177	81.4	25.64	1.00	22.27	68.4	0.00, 30.21, 0.00	81.4	0.82
	157-199	43	307	82.6	23.63	1.00	21.02	-63.5	16.02, 0.65, 0.00	82.6	0.86
	200-208	9	81	60.1	32.57	1.00	22.83	42.9	0.00, 0.00, 0.00	60.1	0.61
	209-235	27	213	35.2	27.17	1.00	19.74	14.1	31.57, 0.00, 10.20	35.2	0.55
	236-251	16	119	39.9	31.13	1.00	20.02	-31.7	71.61, 0.71, 0.00	39.9	0.47
	252-291	40	329	39.6	28.79	1.00	22.59	19.0	34.48, 7.19, 0.00	39.6	0.60
	292-307	16	126	21.5	21.80	1.00	20.24	13.5	0.00, 28.71, 0.00	21.5	0.65
	308-319	12	93	29.8	26.26	1.00	20.59	11.5	89.78, 14.21, 0.00	29.8	0.50
	320-327	8	65	55.4	31.56	1.00	23.73	39.0	0.00, 155.03, 0.00	55.4	0.64
	328-335	8	61	39.6	34.28	1.00	19.25	0.7	102.77, 0.00, 9.94	39.6	0.38
	336-405	70	553	26.6	24.00	1.00	20.46	12.5	20.16, 0.00, 2.45	26.6	0.62
	406-440	35	285	38.4	28.73	1.00	24.03	11.8	25.76, 0.00, 6.51	38.4	0.60
	441-447	7	56	73.7	31.76	1.00	23.44	54.4	0.00, 164.01, 0.00	73.7	0.71

30 Mar 2010

JobID: TLSMD7780_IMKsrOzP

TLSMD Version 1.4.1 Released 11 February 2010