1ABE: Chain A TLS Analysis

26 Mar 2010

JobID: TLSMD7775_MdtkYfha

TLSMD Version 1.4.1

1ABE: 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
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=7.41 and residual=2.68)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-306	305	2316	18.3	10.59	1.00	7.41	4.6	7.61, 1.37, 0.47	18.3	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=5.96 and residual=1.74)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-294	293	2230	17.3	8.79	1.00	5.92	5.4	5.91, 0.02, 1.94	17.3	0.64
	295-306	12	86	43.9	18.23	1.00	7.46	15.9	77.64, 0.00, 26.74	43.9	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=5.50 and residual=1.48)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-108	107	809	18.0	9.13	1.00	5.07	5.8	0.00, 4.64, 6.23	18.0	0.60
	109-294	186	1421	16.8	8.56	1.00	5.65	5.6	6.30, 2.20, 0.00	16.8	0.65
	295-306	12	86	43.9	18.23	1.00	7.46	15.9	77.64, 0.00, 26.74	43.9	0.64

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=5.14 and residual=1.29)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-121	120	906	17.8	9.01	1.00	5.31	5.0	0.00, 6.41, 3.37	17.8	0.61
	122-150	29	236	20.5	10.30	1.00	5.41	1.6	26.57, 0.00, 5.92	20.5	0.64
	151-294	144	1088	16.1	7.99	1.00	4.96	5.9	5.49, 2.13, 0.00	16.1	0.65
	295-306	12	86	43.9	18.23	1.00	7.46	15.9	77.64, 0.00, 26.74	43.9	0.64

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=4.90 and residual=1.18)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-34	33	273	16.2	9.39	1.00	4.80	7.7	15.31, 0.00, 5.40	16.2	0.56
	35-122	88	645	18.6	8.78	1.00	4.66	2.6	9.06, 0.08, 2.85	18.6	0.61
	123-150	28	224	20.4	10.36	1.00	5.50	1.4	26.41, 0.00, 5.90	20.4	0.63
	151-294	144	1088	16.1	7.99	1.00	4.96	5.9	5.49, 2.13, 0.00	16.1	0.65
	295-306	12	86	43.9	18.23	1.00	7.46	15.9	77.64, 0.00, 26.74	43.9	0.64

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=4.68 and residual=1.07)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-34	33	273	16.2	9.39	1.00	4.80	7.7	15.31, 0.00, 5.40	16.2	0.56
	35-122	88	645	18.6	8.78	1.00	4.66	2.6	9.06, 0.08, 2.85	18.6	0.61
	123-150	28	224	20.4	10.36	1.00	5.50	1.4	26.41, 0.00, 5.90	20.4	0.63
	151-272	122	908	14.9	6.91	1.00	4.57	6.8	5.23, 1.85, 0.00	14.9	0.67
	273-298	26	215	23.3	11.14	1.00	5.61	6.3	19.35, 0.00, 3.33	23.3	0.61
	299-306	8	51	53.2	15.33	1.00	4.94	38.2	46.71, 11.08, 0.00	53.2	0.74

Summary of Optimal TLS Group Partition using 7 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 7 Chain Segments (overall rmsd_b=4.53 and residual=1.00)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-34	33	273	16.2	9.39	1.00	4.80	7.7	15.31, 0.00, 5.40	16.2	0.56
	35-122	88	645	18.6	8.78	1.00	4.66	2.6	9.06, 0.08, 2.85	18.6	0.61
	123-150	28	224	20.4	10.36	1.00	5.50	1.4	26.41, 0.00, 5.90	20.4	0.63
	151-197	47	354	18.2	7.75	1.00	5.26	6.1	0.00, 5.71, 9.67	18.2	0.71
	198-272	75	554	12.9	5.37	1.00	3.47	7.6	3.29, 0.00, 1.65	12.9	0.69
	273-298	26	215	23.3	11.14	1.00	5.61	6.3	19.35, 0.00, 3.33	23.3	0.61
	299-306	8	51	53.2	15.33	1.00	4.94	38.2	46.71, 11.08, 0.00	53.2	0.74

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=4.37 and residual=0.94)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-34	33	273	16.2	9.39	1.00	4.80	7.7	15.31, 0.00, 5.40	16.2	0.56
	35-90	56	399	17.8	7.65	1.00	4.38	5.8	8.78, 1.18, 4.20	17.8	0.64
	91-121	31	234	19.7	10.26	1.00	4.54	12.0	12.35, 0.00, 2.77	19.7	0.58
	122-150	29	236	20.5	10.30	1.00	5.41	1.6	26.57, 0.00, 5.92	20.5	0.64
	151-197	47	354	18.2	7.75	1.00	5.26	6.1	0.00, 5.71, 9.67	18.2	0.71
	198-272	75	554	12.9	5.37	1.00	3.47	7.6	3.29, 0.00, 1.65	12.9	0.69
	273-298	26	215	23.3	11.14	1.00	5.61	6.3	19.35, 0.00, 3.33	23.3	0.61
	299-306	8	51	53.2	15.33	1.00	4.94	38.2	46.71, 11.08, 0.00	53.2	0.74

Summary of Optimal TLS Group Partition using 9 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 9 Chain Segments (overall rmsd_b=4.24 and residual=0.88)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-21	20	173	13.5	7.54	1.00	2.46	7.9	8.63, 0.00, 3.94	13.5	0.62
	22-34	13	100	21.0	10.31	1.00	4.82	8.9	38.35, 0.00, 10.73	21.0	0.63
	35-90	56	399	17.8	7.65	1.00	4.38	5.8	8.78, 1.18, 4.20	17.8	0.64
	91-121	31	234	19.7	10.26	1.00	4.54	12.0	12.35, 0.00, 2.77	19.7	0.58
	122-150	29	236	20.5	10.30	1.00	5.41	1.6	26.57, 0.00, 5.92	20.5	0.64
	151-197	47	354	18.2	7.75	1.00	5.26	6.1	0.00, 5.71, 9.67	18.2	0.71
	198-272	75	554	12.9	5.37	1.00	3.47	7.6	3.29, 0.00, 1.65	12.9	0.69
	273-298	26	215	23.3	11.14	1.00	5.61	6.3	19.35, 0.00, 3.33	23.3	0.61
	299-306	8	51	53.2	15.33	1.00	4.94	38.2	46.71, 11.08, 0.00	53.2	0.74

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=4.10 and residual=0.82)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-34	33	273	16.2	9.39	1.00	4.80	7.7	15.31, 0.00, 5.40	16.2	0.56
	35-90	56	399	17.8	7.65	1.00	4.38	5.8	8.78, 1.18, 4.20	17.8	0.64
	91-121	31	234	19.7	10.26	1.00	4.54	12.0	12.35, 0.00, 2.77	19.7	0.58
	122-150	29	236	20.5	10.30	1.00	5.41	1.6	26.57, 0.00, 5.92	20.5	0.64
	151-197	47	354	18.2	7.75	1.00	5.26	6.1	0.00, 5.71, 9.67	18.2	0.71
	198-270	73	542	12.5	4.75	1.00	3.34	7.7	3.27, 0.00, 1.44	12.5	0.72
	271-276	6	45	37.0	8.47	1.00	3.06	26.2	57.05, 4.15, 0.00	37.0	0.77
	277-290	14	109	18.2	5.17	1.00	2.46	9.9	37.72, 0.62, 0.00	18.2	0.75
	291-299	9	82	26.2	13.69	1.00	4.26	13.3	75.45, 9.22, 0.00	26.2	0.56
	300-306	7	42	54.7	15.33	1.00	3.32	48.3	38.04, 0.00, 0.00	54.7	0.73

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=3.96 and residual=0.77)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-21	20	173	13.5	7.54	1.00	2.46	7.9	8.63, 0.00, 3.94	13.5	0.62
	22-34	13	100	21.0	10.31	1.00	4.82	8.9	38.35, 0.00, 10.73	21.0	0.63
	35-90	56	399	17.8	7.65	1.00	4.38	5.8	8.78, 1.18, 4.20	17.8	0.64
	91-121	31	234	19.7	10.26	1.00	4.54	12.0	12.35, 0.00, 2.77	19.7	0.58
	122-150	29	236	20.5	10.30	1.00	5.41	1.6	26.57, 0.00, 5.92	20.5	0.64
	151-197	47	354	18.2	7.75	1.00	5.26	6.1	0.00, 5.71, 9.67	18.2	0.71
	198-270	73	542	12.5	4.75	1.00	3.34	7.7	3.27, 0.00, 1.44	12.5	0.72
	271-276	6	45	37.0	8.47	1.00	3.06	26.2	57.05, 4.15, 0.00	37.0	0.77
	277-290	14	109	18.2	5.17	1.00	2.46	9.9	37.72, 0.62, 0.00	18.2	0.75
	291-299	9	82	26.2	13.69	1.00	4.26	13.3	75.45, 9.22, 0.00	26.2	0.56
	300-306	7	42	54.7	15.33	1.00	3.32	48.3	38.04, 0.00, 0.00	54.7	0.73

Summary of Optimal TLS Group Partition using 12 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 12 Chain Segments (overall rmsd_b=3.81 and residual=0.71)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-21	20	173	13.5	7.54	1.00	2.46	7.9	8.63, 0.00, 3.94	13.5	0.62
	22-34	13	100	21.0	10.31	1.00	4.82	8.9	38.35, 0.00, 10.73	21.0	0.63
	35-90	56	399	17.8	7.65	1.00	4.38	5.8	8.78, 1.18, 4.20	17.8	0.64
	91-121	31	234	19.7	10.26	1.00	4.54	12.0	12.35, 0.00, 2.77	19.7	0.58
	122-147	26	209	20.1	9.94	1.00	5.24	2.0	24.91, 0.00, 5.60	20.1	0.64
	148-188	41	307	18.4	8.33	1.00	4.60	4.8	0.00, 9.20, 12.39	18.4	0.68
	189-197	9	74	19.2	8.00	1.00	4.12	7.3	0.00, 24.56, 21.32	19.2	0.64
	198-270	73	542	12.5	4.75	1.00	3.34	7.7	3.27, 0.00, 1.44	12.5	0.72
	271-276	6	45	37.0	8.47	1.00	3.06	26.2	57.05, 4.15, 0.00	37.0	0.77
	277-290	14	109	18.2	5.17	1.00	2.46	9.9	37.72, 0.62, 0.00	18.2	0.75
	291-299	9	82	26.2	13.69	1.00	4.26	13.3	75.45, 9.22, 0.00	26.2	0.56
	300-306	7	42	54.7	15.33	1.00	3.32	48.3	38.04, 0.00, 0.00	54.7	0.73

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=3.67 and residual=0.66)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-21	20	173	13.5	7.54	1.00	2.46	7.9	8.63, 0.00, 3.94	13.5	0.62
	22-34	13	100	21.0	10.31	1.00	4.82	8.9	38.35, 0.00, 10.73	21.0	0.63
	35-69	35	247	17.3	7.29	1.00	3.98	6.5	1.67, 4.79, 8.07	17.3	0.65
	70-93	24	179	18.0	7.70	1.00	4.21	9.1	0.00, 14.39, 5.52	18.0	0.63
	94-121	28	207	20.4	10.69	1.00	4.62	12.0	12.99, 0.00, 2.35	20.4	0.57
	122-147	26	209	20.1	9.94	1.00	5.24	2.0	24.91, 0.00, 5.60	20.1	0.64
	148-188	41	307	18.4	8.33	1.00	4.60	4.8	0.00, 9.20, 12.39	18.4	0.68
	189-197	9	74	19.2	8.00	1.00	4.12	7.3	0.00, 24.56, 21.32	19.2	0.64
	198-270	73	542	12.5	4.75	1.00	3.34	7.7	3.27, 0.00, 1.44	12.5	0.72
	271-276	6	45	37.0	8.47	1.00	3.06	26.2	57.05, 4.15, 0.00	37.0	0.77
	277-290	14	109	18.2	5.17	1.00	2.46	9.9	37.72, 0.62, 0.00	18.2	0.75
	291-299	9	82	26.2	13.69	1.00	4.26	13.3	75.45, 9.22, 0.00	26.2	0.56
	300-306	7	42	54.7	15.33	1.00	3.32	48.3	38.04, 0.00, 0.00	54.7	0.73

Summary of Optimal TLS Group Partition using 14 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 14 Chain Segments (overall rmsd_b=3.57 and residual=0.63)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-20	19	159	13.6	7.83	1.00	2.49	7.6	8.83, 0.00, 4.03	13.6	0.61
	21-33	13	105	18.7	8.56	1.00	4.94	-2.9	28.77, 0.00, 3.86	18.7	0.65
	34-45	12	90	18.1	9.97	1.00	4.39	6.5	33.32, 10.53, 0.00	18.1	0.58
	46-67	22	150	17.6	6.93	1.00	3.39	8.1	0.00, 4.79, 9.56	17.6	0.66
	68-90	23	168	18.6	8.28	1.00	4.24	7.5	0.00, 16.91, 6.78	18.6	0.61
	91-121	31	234	19.7	10.26	1.00	4.54	12.0	12.35, 0.00, 2.77	19.7	0.58
	122-147	26	209	20.1	9.94	1.00	5.24	2.0	24.91, 0.00, 5.60	20.1	0.64
	148-188	41	307	18.4	8.33	1.00	4.60	4.8	0.00, 9.20, 12.39	18.4	0.68
	189-197	9	74	19.2	8.00	1.00	4.12	7.3	0.00, 24.56, 21.32	19.2	0.64
	198-270	73	542	12.5	4.75	1.00	3.34	7.7	3.27, 0.00, 1.44	12.5	0.72
	271-276	6	45	37.0	8.47	1.00	3.06	26.2	57.05, 4.15, 0.00	37.0	0.77
	277-290	14	109	18.2	5.17	1.00	2.46	9.9	37.72, 0.62, 0.00	18.2	0.75
	291-299	9	82	26.2	13.69	1.00	4.26	13.3	75.45, 9.22, 0.00	26.2	0.56
	300-306	7	42	54.7	15.33	1.00	3.32	48.3	38.04, 0.00, 0.00	54.7	0.73

Summary of Optimal TLS Group Partition using 15 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 15 Chain Segments (overall rmsd_b=3.46 and residual=0.59)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-21	20	173	13.5	7.54	1.00	2.46	7.9	8.63, 0.00, 3.94	13.5	0.62
	22-34	13	100	21.0	10.31	1.00	4.82	8.9	38.35, 0.00, 10.73	21.0	0.63
	35-69	35	247	17.3	7.29	1.00	3.98	6.5	1.67, 4.79, 8.07	17.3	0.65
	70-93	24	179	18.0	7.70	1.00	4.21	9.1	0.00, 14.39, 5.52	18.0	0.63
	94-121	28	207	20.4	10.69	1.00	4.62	12.0	12.99, 0.00, 2.35	20.4	0.57
	122-147	26	209	20.1	9.94	1.00	5.24	2.0	24.91, 0.00, 5.60	20.1	0.64
	148-163	16	114	18.0	8.29	1.00	2.26	7.9	41.13, 0.00, 6.08	18.0	0.61
	164-170	7	65	21.1	10.02	1.00	3.15	10.8	52.37, 19.52, 0.00	21.1	0.61
	171-188	18	128	17.4	7.05	1.00	4.10	10.6	0.00, 10.86, 15.83	17.4	0.69
	189-197	9	74	19.2	8.00	1.00	4.12	7.3	0.00, 24.56, 21.32	19.2	0.64
	198-270	73	542	12.5	4.75	1.00	3.34	7.7	3.27, 0.00, 1.44	12.5	0.72
	271-276	6	45	37.0	8.47	1.00	3.06	26.2	57.05, 4.15, 0.00	37.0	0.77
	277-290	14	109	18.2	5.17	1.00	2.46	9.9	37.72, 0.62, 0.00	18.2	0.75
	291-299	9	82	26.2	13.69	1.00	4.26	13.3	75.45, 9.22, 0.00	26.2	0.56
	300-306	7	42	54.7	15.33	1.00	3.32	48.3	38.04, 0.00, 0.00	54.7	0.73

Summary of Optimal TLS Group Partition using 16 Groups
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Analysis of TLS Group 16 Chain Segments (overall rmsd_b=3.35 and residual=0.55)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-20	19	159	13.6	7.83	1.00	2.49	7.6	8.83, 0.00, 4.03	13.6	0.61
	21-33	13	105	18.7	8.56	1.00	4.94	-2.9	28.77, 0.00, 3.86	18.7	0.65
	34-45	12	90	18.1	9.97	1.00	4.39	6.5	33.32, 10.53, 0.00	18.1	0.58
	46-67	22	150	17.6	6.93	1.00	3.39	8.1	0.00, 4.79, 9.56	17.6	0.66
	68-90	23	168	18.6	8.28	1.00	4.24	7.5	0.00, 16.91, 6.78	18.6	0.61
	91-121	31	234	19.7	10.26	1.00	4.54	12.0	12.35, 0.00, 2.77	19.7	0.58
	122-147	26	209	20.1	9.94	1.00	5.24	2.0	24.91, 0.00, 5.60	20.1	0.64
	148-163	16	114	18.0	8.29	1.00	2.26	7.9	41.13, 0.00, 6.08	18.0	0.61
	164-170	7	65	21.1	10.02	1.00	3.15	10.8	52.37, 19.52, 0.00	21.1	0.61
	171-188	18	128	17.4	7.05	1.00	4.10	10.6	0.00, 10.86, 15.83	17.4	0.69
	189-197	9	74	19.2	8.00	1.00	4.12	7.3	0.00, 24.56, 21.32	19.2	0.64
	198-270	73	542	12.5	4.75	1.00	3.34	7.7	3.27, 0.00, 1.44	12.5	0.72
	271-276	6	45	37.0	8.47	1.00	3.06	26.2	57.05, 4.15, 0.00	37.0	0.77
	277-290	14	109	18.2	5.17	1.00	2.46	9.9	37.72, 0.62, 0.00	18.2	0.75
	291-299	9	82	26.2	13.69	1.00	4.26	13.3	75.45, 9.22, 0.00	26.2	0.56
	300-306	7	42	54.7	15.33	1.00	3.32	48.3	38.04, 0.00, 0.00	54.7	0.73

Summary of Optimal TLS Group Partition using 17 Groups
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Analysis of TLS Group 17 Chain Segments (overall rmsd_b=3.25 and residual=0.52)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-20	19	159	13.6	7.83	1.00	2.49	7.6	8.83, 0.00, 4.03	13.6	0.61
	21-33	13	105	18.7	8.56	1.00	4.94	-2.9	28.77, 0.00, 3.86	18.7	0.65
	34-45	12	90	18.1	9.97	1.00	4.39	6.5	33.32, 10.53, 0.00	18.1	0.58
	46-67	22	150	17.6	6.93	1.00	3.39	8.1	0.00, 4.79, 9.56	17.6	0.66
	68-90	23	168	18.6	8.28	1.00	4.24	7.5	0.00, 16.91, 6.78	18.6	0.61
	91-121	31	234	19.7	10.26	1.00	4.54	12.0	12.35, 0.00, 2.77	19.7	0.58
	122-147	26	209	20.1	9.94	1.00	5.24	2.0	24.91, 0.00, 5.60	20.1	0.64
	148-163	16	114	18.0	8.29	1.00	2.26	7.9	41.13, 0.00, 6.08	18.0	0.61
	164-170	7	65	21.1	10.02	1.00	3.15	10.8	52.37, 19.52, 0.00	21.1	0.61
	171-188	18	128	17.4	7.05	1.00	4.10	10.6	0.00, 10.86, 15.83	17.4	0.69
	189-197	9	74	19.2	8.00	1.00	4.12	7.3	0.00, 24.56, 21.32	19.2	0.64
	198-259	62	446	11.5	3.71	1.00	2.88	8.4	3.48, 1.22, 0.00	11.5	0.78
	260-270	11	96	16.8	6.40	1.00	2.89	11.2	24.72, 0.01, 0.00	16.8	0.66
	271-276	6	45	37.0	8.47	1.00	3.06	26.2	57.05, 4.15, 0.00	37.0	0.77
	277-290	14	109	18.2	5.17	1.00	2.46	9.9	37.72, 0.62, 0.00	18.2	0.75
	291-299	9	82	26.2	13.69	1.00	4.26	13.3	75.45, 9.22, 0.00	26.2	0.56
	300-306	7	42	54.7	15.33	1.00	3.32	48.3	38.04, 0.00, 0.00	54.7	0.73

Summary of Optimal TLS Group Partition using 18 Groups
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Analysis of TLS Group 18 Chain Segments (overall rmsd_b=3.17 and residual=0.49)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-20	19	159	13.6	7.83	1.00	2.49	7.6	8.83, 0.00, 4.03	13.6	0.61
	21-33	13	105	18.7	8.56	1.00	4.94	-2.9	28.77, 0.00, 3.86	18.7	0.65
	34-45	12	90	18.1	9.97	1.00	4.39	6.5	33.32, 10.53, 0.00	18.1	0.58
	46-67	22	150	17.6	6.93	1.00	3.39	8.1	0.00, 4.79, 9.56	17.6	0.66
	68-90	23	168	18.6	8.28	1.00	4.24	7.5	0.00, 16.91, 6.78	18.6	0.61
	91-121	31	234	19.7	10.26	1.00	4.54	12.0	12.35, 0.00, 2.77	19.7	0.58
	122-147	26	209	20.1	9.94	1.00	5.24	2.0	24.91, 0.00, 5.60	20.1	0.64
	148-163	16	114	18.0	8.29	1.00	2.26	7.9	41.13, 0.00, 6.08	18.0	0.61
	164-170	7	65	21.1	10.02	1.00	3.15	10.8	52.37, 19.52, 0.00	21.1	0.61
	171-179	9	69	18.3	7.53	1.00	4.19	5.3	0.00, 15.71, 18.86	18.3	0.67
	180-190	11	75	17.0	6.62	1.00	3.09	8.9	43.51, 0.00, 8.65	17.0	0.68
	191-197	7	58	19.2	8.16	1.00	3.99	7.3	0.00, 27.31, 22.23	19.2	0.64
	198-259	62	446	11.5	3.71	1.00	2.88	8.4	3.48, 1.22, 0.00	11.5	0.78
	260-270	11	96	16.8	6.40	1.00	2.89	11.2	24.72, 0.01, 0.00	16.8	0.66
	271-276	6	45	37.0	8.47	1.00	3.06	26.2	57.05, 4.15, 0.00	37.0	0.77
	277-290	14	109	18.2	5.17	1.00	2.46	9.9	37.72, 0.62, 0.00	18.2	0.75
	291-299	9	82	26.2	13.69	1.00	4.26	13.3	75.45, 9.22, 0.00	26.2	0.56
	300-306	7	42	54.7	15.33	1.00	3.32	48.3	38.04, 0.00, 0.00	54.7	0.73

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=3.07 and residual=0.46)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-20	19	159	13.6	7.83	1.00	2.49	7.6	8.83, 0.00, 4.03	13.6	0.61
	21-33	13	105	18.7	8.56	1.00	4.94	-2.9	28.77, 0.00, 3.86	18.7	0.65
	34-45	12	90	18.1	9.97	1.00	4.39	6.5	33.32, 10.53, 0.00	18.1	0.58
	46-67	22	150	17.6	6.93	1.00	3.39	8.1	0.00, 4.79, 9.56	17.6	0.66
	68-90	23	168	18.6	8.28	1.00	4.24	7.5	0.00, 16.91, 6.78	18.6	0.61
	91-121	31	234	19.7	10.26	1.00	4.54	12.0	12.35, 0.00, 2.77	19.7	0.58
	122-127	6	56	23.9	12.06	1.00	4.18	12.6	66.62, 0.00, 5.94	23.9	0.58
	128-138	11	88	19.9	9.42	1.00	3.29	9.0	24.19, 0.00, 3.90	19.9	0.60
	139-147	9	65	17.2	7.16	1.00	3.27	6.3	39.47, 0.00, 7.53	17.2	0.65
	148-163	16	114	18.0	8.29	1.00	2.26	7.9	41.13, 0.00, 6.08	18.0	0.61
	164-170	7	65	21.1	10.02	1.00	3.15	10.8	52.37, 19.52, 0.00	21.1	0.61
	171-188	18	128	17.4	7.05	1.00	4.10	10.6	0.00, 10.86, 15.83	17.4	0.69
	189-197	9	74	19.2	8.00	1.00	4.12	7.3	0.00, 24.56, 21.32	19.2	0.64
	198-259	62	446	11.5	3.71	1.00	2.88	8.4	3.48, 1.22, 0.00	11.5	0.78
	260-270	11	96	16.8	6.40	1.00	2.89	11.2	24.72, 0.01, 0.00	16.8	0.66
	271-276	6	45	37.0	8.47	1.00	3.06	26.2	57.05, 4.15, 0.00	37.0	0.77
	277-290	14	109	18.2	5.17	1.00	2.46	9.9	37.72, 0.62, 0.00	18.2	0.75
	291-299	9	82	26.2	13.69	1.00	4.26	13.3	75.45, 9.22, 0.00	26.2	0.56
	300-306	7	42	54.7	15.33	1.00	3.32	48.3	38.04, 0.00, 0.00	54.7	0.73

Summary of Optimal TLS Group Partition using 20 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 20 Chain Segments (overall rmsd_b=2.99 and residual=0.44)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-20	19	159	13.6	7.83	1.00	2.49	7.6	8.83, 0.00, 4.03	13.6	0.61
	21-33	13	105	18.7	8.56	1.00	4.94	-2.9	28.77, 0.00, 3.86	18.7	0.65
	34-45	12	90	18.1	9.97	1.00	4.39	6.5	33.32, 10.53, 0.00	18.1	0.58
	46-67	22	150	17.6	6.93	1.00	3.39	8.1	0.00, 4.79, 9.56	17.6	0.66
	68-90	23	168	18.6	8.28	1.00	4.24	7.5	0.00, 16.91, 6.78	18.6	0.61
	91-121	31	234	19.7	10.26	1.00	4.54	12.0	12.35, 0.00, 2.77	19.7	0.58
	122-127	6	56	23.9	12.06	1.00	4.18	12.6	66.62, 0.00, 5.94	23.9	0.58
	128-138	11	88	19.9	9.42	1.00	3.29	9.0	24.19, 0.00, 3.90	19.9	0.60
	139-147	9	65	17.2	7.16	1.00	3.27	6.3	39.47, 0.00, 7.53	17.2	0.65
	148-163	16	114	18.0	8.29	1.00	2.26	7.9	41.13, 0.00, 6.08	18.0	0.61
	164-170	7	65	21.1	10.02	1.00	3.15	10.8	52.37, 19.52, 0.00	21.1	0.61
	171-179	9	69	18.3	7.53	1.00	4.19	5.3	0.00, 15.71, 18.86	18.3	0.67
	180-190	11	75	17.0	6.62	1.00	3.09	8.9	43.51, 0.00, 8.65	17.0	0.68
	191-197	7	58	19.2	8.16	1.00	3.99	7.3	0.00, 27.31, 22.23	19.2	0.64
	198-259	62	446	11.5	3.71	1.00	2.88	8.4	3.48, 1.22, 0.00	11.5	0.78
	260-270	11	96	16.8	6.40	1.00	2.89	11.2	24.72, 0.01, 0.00	16.8	0.66
	271-276	6	45	37.0	8.47	1.00	3.06	26.2	57.05, 4.15, 0.00	37.0	0.77
	277-290	14	109	18.2	5.17	1.00	2.46	9.9	37.72, 0.62, 0.00	18.2	0.75
	291-299	9	82	26.2	13.69	1.00	4.26	13.3	75.45, 9.22, 0.00	26.2	0.56
	300-306	7	42	54.7	15.33	1.00	3.32	48.3	38.04, 0.00, 0.00	54.7	0.73

26 Mar 2010

JobID: TLSMD7775_MdtkYfha

TLSMD Version 1.4.1 Released 11 February 2010