1DVJ: Chain D TLS Analysis

26 Mar 2010

JobID: TLSMD7766_HvlAdtJq

TLSMD Version 1.4.1

1DVJ: 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=3.95 and residual=0.53)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-222	214	1640	19.7	6.58	1.00	3.95	10.2	1.01, 3.09, 1.95	19.7	0.73

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=3.45 and residual=0.41)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-206	198	1536	19.1	5.94	1.00	3.55	10.4	3.13, 1.03, 1.62	19.1	0.74
	207-222	16	104	29.0	8.37	1.00	2.25	19.1	16.52, 0.00, 6.04	29.0	0.71

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=3.17 and residual=0.34)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-85	77	619	20.2	6.64	1.00	3.09	11.5	0.00, 2.88, 5.80	20.2	0.69
	86-201	116	876	18.4	5.38	1.00	3.38	11.9	0.00, 2.58, 3.31	18.4	0.76
	202-222	21	145	25.5	9.08	1.00	2.20	16.0	11.24, 4.45, 0.00	25.5	0.65

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=2.91 and residual=0.29)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-61	53	425	21.5	6.05	1.00	2.64	12.1	0.34, 3.61, 6.55	21.5	0.73
	62-119	58	457	16.5	6.11	1.00	3.43	9.7	10.00, 1.64, 0.00	16.5	0.72
	120-200	81	606	19.6	5.04	1.00	2.80	13.3	0.00, 2.74, 4.96	19.6	0.78
	201-222	22	152	25.0	9.16	1.00	2.35	15.1	9.99, 4.72, 0.00	25.0	0.64

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=2.63 and residual=0.24)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-61	53	425	21.5	6.05	1.00	2.64	12.1	0.34, 3.61, 6.55	21.5	0.73
	62-100	39	312	16.2	5.95	1.00	2.58	9.7	9.56, 0.00, 2.26	16.2	0.70
	101-119	19	145	17.1	6.40	1.00	2.73	10.9	34.73, 0.00, 1.21	17.1	0.71
	120-200	81	606	19.6	5.04	1.00	2.80	13.3	0.00, 2.74, 4.96	19.6	0.78
	201-222	22	152	25.0	9.16	1.00	2.35	15.1	9.99, 4.72, 0.00	25.0	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=2.49 and residual=0.21)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-37	29	236	23.0	5.96	1.00	2.10	12.7	0.00, 10.75, 5.83	23.0	0.73
	38-62	25	200	20.4	6.75	1.00	2.45	12.3	11.05, 0.00, 4.66	20.4	0.68
	63-106	44	338	15.4	4.35	1.00	2.38	10.4	7.45, 2.51, 0.00	15.4	0.77
	107-119	13	108	18.0	7.18	1.00	2.81	10.0	34.07, 0.00, 3.62	18.0	0.67
	120-200	81	606	19.6	5.04	1.00	2.80	13.3	0.00, 2.74, 4.96	19.6	0.78
	201-222	22	152	25.0	9.16	1.00	2.35	15.1	9.99, 4.72, 0.00	25.0	0.64

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=2.34 and residual=0.19)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-37	29	236	23.0	5.96	1.00	2.10	12.7	0.00, 10.75, 5.83	23.0	0.73
	38-62	25	200	20.4	6.75	1.00	2.45	12.3	11.05, 0.00, 4.66	20.4	0.68
	63-106	44	338	15.4	4.35	1.00	2.38	10.4	7.45, 2.51, 0.00	15.4	0.77
	107-119	13	108	18.0	7.18	1.00	2.81	10.0	34.07, 0.00, 3.62	18.0	0.67
	120-140	21	157	17.7	3.65	1.00	2.31	14.9	3.38, 0.42, 0.00	17.7	0.82
	141-200	60	449	20.3	5.28	1.00	2.54	11.7	7.24, 0.87, 2.65	20.3	0.77
	201-222	22	152	25.0	9.16	1.00	2.35	15.1	9.99, 4.72, 0.00	25.0	0.64

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=2.23 and residual=0.17)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-37	29	236	23.0	5.96	1.00	2.10	12.7	0.00, 10.75, 5.83	23.0	0.73
	38-62	25	200	20.4	6.75	1.00	2.45	12.3	11.05, 0.00, 4.66	20.4	0.68
	63-106	44	338	15.4	4.35	1.00	2.38	10.4	7.45, 2.51, 0.00	15.4	0.77
	107-119	13	108	18.0	7.18	1.00	2.81	10.0	34.07, 0.00, 3.62	18.0	0.67
	120-140	21	157	17.7	3.65	1.00	2.31	14.9	3.38, 0.42, 0.00	17.7	0.82
	141-174	34	267	20.8	5.90	1.00	2.81	14.8	9.86, 3.32, 0.00	20.8	0.74
	175-213	39	276	19.4	4.10	1.00	1.62	13.2	4.95, 0.00, 2.39	19.4	0.79
	214-222	9	58	33.9	7.95	1.00	2.02	22.1	36.74, 13.73, 0.00	33.9	0.75

Summary of Optimal TLS Group Partition using 9 Groups
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Analysis of TLS Group 9 Chain Segments (overall rmsd_b=2.09 and residual=0.15)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-37	29	236	23.0	5.96	1.00	2.10	12.7	0.00, 10.75, 5.83	23.0	0.73
	38-62	25	200	20.4	6.75	1.00	2.45	12.3	11.05, 0.00, 4.66	20.4	0.68
	63-106	44	338	15.4	4.35	1.00	2.38	10.4	7.45, 2.51, 0.00	15.4	0.77
	107-119	13	108	18.0	7.18	1.00	2.81	10.0	34.07, 0.00, 3.62	18.0	0.67
	120-140	21	157	17.7	3.65	1.00	2.31	14.9	3.38, 0.42, 0.00	17.7	0.82
	141-160	20	150	18.9	5.21	1.00	2.14	12.1	13.42, 0.00, 4.82	18.9	0.74
	161-174	14	117	23.4	5.77	1.00	2.48	18.5	23.19, 0.00, 3.46	23.4	0.78
	175-213	39	276	19.4	4.10	1.00	1.62	13.2	4.95, 0.00, 2.39	19.4	0.79
	214-222	9	58	33.9	7.95	1.00	2.02	22.1	36.74, 13.73, 0.00	33.9	0.75

Summary of Optimal TLS Group Partition using 10 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 10 Chain Segments (overall rmsd_b=1.98 and residual=0.13)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-37	29	236	23.0	5.96	1.00	2.10	12.7	0.00, 10.75, 5.83	23.0	0.73
	38-62	25	200	20.4	6.75	1.00	2.45	12.3	11.05, 0.00, 4.66	20.4	0.68
	63-106	44	338	15.4	4.35	1.00	2.38	10.4	7.45, 2.51, 0.00	15.4	0.77
	107-119	13	108	18.0	7.18	1.00	2.81	10.0	34.07, 0.00, 3.62	18.0	0.67
	120-131	12	90	15.9	2.12	1.00	1.28	14.5	14.23, 0.00, 0.00	15.9	0.89
	132-151	20	146	20.4	4.68	1.00	1.83	15.3	21.24, 2.33, 0.00	20.4	0.79
	152-166	15	123	19.0	5.07	1.00	1.98	15.4	0.00, 12.88, 0.00	19.0	0.76
	167-175	9	71	24.3	6.14	1.00	1.77	18.2	30.92, 12.54, 0.00	24.3	0.77
	176-213	38	270	19.4	4.13	1.00	1.64	13.2	4.92, 0.00, 2.38	19.4	0.79
	214-222	9	58	33.9	7.95	1.00	2.02	22.1	36.74, 13.73, 0.00	33.9	0.75

Summary of Optimal TLS Group Partition using 11 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 11 Chain Segments (overall rmsd_b=1.87 and residual=0.12)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-37	29	236	23.0	5.96	1.00	2.10	12.7	0.00, 10.75, 5.83	23.0	0.73
	38-59	22	169	18.3	4.14	1.00	1.63	13.3	6.77, 0.00, 3.32	18.3	0.77
	60-75	16	132	20.1	8.29	1.00	2.06	12.3	12.40, 0.00, 1.55	20.1	0.63
	76-91	16	123	15.8	5.49	1.00	2.01	11.1	29.31, 0.00, 3.23	15.8	0.69
	92-106	15	114	14.2	1.82	1.00	1.34	12.8	2.54, 0.00, 0.00	14.2	0.89
	107-119	13	108	18.0	7.18	1.00	2.81	10.0	34.07, 0.00, 3.62	18.0	0.67
	120-140	21	157	17.7	3.65	1.00	2.31	14.9	3.38, 0.42, 0.00	17.7	0.82
	141-160	20	150	18.9	5.21	1.00	2.14	12.1	13.42, 0.00, 4.82	18.9	0.74
	161-174	14	117	23.4	5.77	1.00	2.48	18.5	23.19, 0.00, 3.46	23.4	0.78
	175-213	39	276	19.4	4.10	1.00	1.62	13.2	4.95, 0.00, 2.39	19.4	0.79
	214-222	9	58	33.9	7.95	1.00	2.02	22.1	36.74, 13.73, 0.00	33.9	0.75

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=1.75 and residual=0.11)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-37	29	236	23.0	5.96	1.00	2.10	12.7	0.00, 10.75, 5.83	23.0	0.73
	38-59	22	169	18.3	4.14	1.00	1.63	13.3	6.77, 0.00, 3.32	18.3	0.77
	60-75	16	132	20.1	8.29	1.00	2.06	12.3	12.40, 0.00, 1.55	20.1	0.63
	76-91	16	123	15.8	5.49	1.00	2.01	11.1	29.31, 0.00, 3.23	15.8	0.69
	92-106	15	114	14.2	1.82	1.00	1.34	12.8	2.54, 0.00, 0.00	14.2	0.89
	107-119	13	108	18.0	7.18	1.00	2.81	10.0	34.07, 0.00, 3.62	18.0	0.67
	120-131	12	90	15.9	2.12	1.00	1.28	14.5	14.23, 0.00, 0.00	15.9	0.89
	132-151	20	146	20.4	4.68	1.00	1.83	15.3	21.24, 2.33, 0.00	20.4	0.79
	152-166	15	123	19.0	5.07	1.00	1.98	15.4	0.00, 12.88, 0.00	19.0	0.76
	167-175	9	71	24.3	6.14	1.00	1.77	18.2	30.92, 12.54, 0.00	24.3	0.77
	176-213	38	270	19.4	4.13	1.00	1.64	13.2	4.92, 0.00, 2.38	19.4	0.79
	214-222	9	58	33.9	7.95	1.00	2.02	22.1	36.74, 13.73, 0.00	33.9	0.75

Summary of Optimal TLS Group Partition using 13 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 13 Chain Segments (overall rmsd_b=1.68 and residual=0.10)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-37	29	236	23.0	5.96	1.00	2.10	12.7	0.00, 10.75, 5.83	23.0	0.73
	38-59	22	169	18.3	4.14	1.00	1.63	13.3	6.77, 0.00, 3.32	18.3	0.77
	60-75	16	132	20.1	8.29	1.00	2.06	12.3	12.40, 0.00, 1.55	20.1	0.63
	76-91	16	123	15.8	5.49	1.00	2.01	11.1	29.31, 0.00, 3.23	15.8	0.69
	92-106	15	114	14.2	1.82	1.00	1.34	12.8	2.54, 0.00, 0.00	14.2	0.89
	107-119	13	108	18.0	7.18	1.00	2.81	10.0	34.07, 0.00, 3.62	18.0	0.67
	120-131	12	90	15.9	2.12	1.00	1.28	14.5	14.23, 0.00, 0.00	15.9	0.89
	132-151	20	146	20.4	4.68	1.00	1.83	15.3	21.24, 2.33, 0.00	20.4	0.79
	152-166	15	123	19.0	5.07	1.00	1.98	15.4	0.00, 12.88, 0.00	19.0	0.76
	167-174	8	65	24.7	6.29	1.00	1.82	18.6	30.40, 13.30, 0.00	24.7	0.76
	175-195	21	148	20.0	4.12	1.00	1.10	13.1	0.00, 5.45, 7.11	20.0	0.77
	196-216	21	143	19.4	4.23	1.00	1.22	13.1	4.72, 2.58, 0.00	19.4	0.75
	217-222	6	43	37.0	6.86	1.00	2.07	14.1	43.77, 6.96, 0.00	37.0	0.80

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=1.61 and residual=0.09)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-37	29	236	23.0	5.96	1.00	2.10	12.7	0.00, 10.75, 5.83	23.0	0.73
	38-59	22	169	18.3	4.14	1.00	1.63	13.3	6.77, 0.00, 3.32	18.3	0.77
	60-75	16	132	20.1	8.29	1.00	2.06	12.3	12.40, 0.00, 1.55	20.1	0.63
	76-91	16	123	15.8	5.49	1.00	2.01	11.1	29.31, 0.00, 3.23	15.8	0.69
	92-106	15	114	14.2	1.82	1.00	1.34	12.8	2.54, 0.00, 0.00	14.2	0.89
	107-113	7	50	17.5	7.07	1.00	2.30	12.2	47.62, 0.00, 7.51	17.5	0.65
	114-119	6	58	18.4	7.25	1.00	2.45	8.6	0.00, 24.62, 16.34	18.4	0.66
	120-131	12	90	15.9	2.12	1.00	1.28	14.5	14.23, 0.00, 0.00	15.9	0.89
	132-151	20	146	20.4	4.68	1.00	1.83	15.3	21.24, 2.33, 0.00	20.4	0.79
	152-166	15	123	19.0	5.07	1.00	1.98	15.4	0.00, 12.88, 0.00	19.0	0.76
	167-174	8	65	24.7	6.29	1.00	1.82	18.6	30.40, 13.30, 0.00	24.7	0.76
	175-195	21	148	20.0	4.12	1.00	1.10	13.1	0.00, 5.45, 7.11	20.0	0.77
	196-216	21	143	19.4	4.23	1.00	1.22	13.1	4.72, 2.58, 0.00	19.4	0.75
	217-222	6	43	37.0	6.86	1.00	2.07	14.1	43.77, 6.96, 0.00	37.0	0.80

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=1.54 and residual=0.08)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-15	7	58	23.1	5.32	1.00	1.72	16.9	23.98, 0.00, 10.60	23.1	0.77
	16-37	22	178	22.9	6.15	1.00	1.69	13.0	0.00, 9.35, 7.61	22.9	0.71
	38-59	22	169	18.3	4.14	1.00	1.63	13.3	6.77, 0.00, 3.32	18.3	0.77
	60-75	16	132	20.1	8.29	1.00	2.06	12.3	12.40, 0.00, 1.55	20.1	0.63
	76-91	16	123	15.8	5.49	1.00	2.01	11.1	29.31, 0.00, 3.23	15.8	0.69
	92-106	15	114	14.2	1.82	1.00	1.34	12.8	2.54, 0.00, 0.00	14.2	0.89
	107-113	7	50	17.5	7.07	1.00	2.30	12.2	47.62, 0.00, 7.51	17.5	0.65
	114-119	6	58	18.4	7.25	1.00	2.45	8.6	0.00, 24.62, 16.34	18.4	0.66
	120-131	12	90	15.9	2.12	1.00	1.28	14.5	14.23, 0.00, 0.00	15.9	0.89
	132-151	20	146	20.4	4.68	1.00	1.83	15.3	21.24, 2.33, 0.00	20.4	0.79
	152-166	15	123	19.0	5.07	1.00	1.98	15.4	0.00, 12.88, 0.00	19.0	0.76
	167-174	8	65	24.7	6.29	1.00	1.82	18.6	30.40, 13.30, 0.00	24.7	0.76
	175-195	21	148	20.0	4.12	1.00	1.10	13.1	0.00, 5.45, 7.11	20.0	0.77
	196-216	21	143	19.4	4.23	1.00	1.22	13.1	4.72, 2.58, 0.00	19.4	0.75
	217-222	6	43	37.0	6.86	1.00	2.07	14.1	43.77, 6.96, 0.00	37.0	0.80

Summary of Optimal TLS Group Partition using 16 Groups
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Analysis of TLS Group 16 Chain Segments (overall rmsd_b=1.49 and residual=0.08)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-15	7	58	23.1	5.32	1.00	1.72	16.9	23.98, 0.00, 10.60	23.1	0.77
	16-37	22	178	22.9	6.15	1.00	1.69	13.0	0.00, 9.35, 7.61	22.9	0.71
	38-59	22	169	18.3	4.14	1.00	1.63	13.3	6.77, 0.00, 3.32	18.3	0.77
	60-64	5	46	29.7	6.08	1.00	1.52	23.8	0.00, 8.11, 15.93	29.7	0.78
	65-77	13	101	14.7	3.05	1.00	1.31	10.6	0.00, 3.22, 5.08	14.7	0.81
	78-91	14	108	16.1	5.75	1.00	1.81	11.2	30.56, 0.00, 2.90	16.1	0.69
	92-106	15	114	14.2	1.82	1.00	1.34	12.8	2.54, 0.00, 0.00	14.2	0.89
	107-113	7	50	17.5	7.07	1.00	2.30	12.2	47.62, 0.00, 7.51	17.5	0.65
	114-119	6	58	18.4	7.25	1.00	2.45	8.6	0.00, 24.62, 16.34	18.4	0.66
	120-131	12	90	15.9	2.12	1.00	1.28	14.5	14.23, 0.00, 0.00	15.9	0.89
	132-151	20	146	20.4	4.68	1.00	1.83	15.3	21.24, 2.33, 0.00	20.4	0.79
	152-166	15	123	19.0	5.07	1.00	1.98	15.4	0.00, 12.88, 0.00	19.0	0.76
	167-174	8	65	24.7	6.29	1.00	1.82	18.6	30.40, 13.30, 0.00	24.7	0.76
	175-195	21	148	20.0	4.12	1.00	1.10	13.1	0.00, 5.45, 7.11	20.0	0.77
	196-216	21	143	19.4	4.23	1.00	1.22	13.1	4.72, 2.58, 0.00	19.4	0.75
	217-222	6	43	37.0	6.86	1.00	2.07	14.1	43.77, 6.96, 0.00	37.0	0.80

Summary of Optimal TLS Group Partition using 17 Groups
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Analysis of TLS Group 17 Chain Segments (overall rmsd_b=1.44 and residual=0.07)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-15	7	58	23.1	5.32	1.00	1.72	16.9	23.98, 0.00, 10.60	23.1	0.77
	16-37	22	178	22.9	6.15	1.00	1.69	13.0	0.00, 9.35, 7.61	22.9	0.71
	38-59	22	169	18.3	4.14	1.00	1.63	13.3	6.77, 0.00, 3.32	18.3	0.77
	60-64	5	46	29.7	6.08	1.00	1.52	23.8	0.00, 8.11, 15.93	29.7	0.78
	65-77	13	101	14.7	3.05	1.00	1.31	10.6	0.00, 3.22, 5.08	14.7	0.81
	78-91	14	108	16.1	5.75	1.00	1.81	11.2	30.56, 0.00, 2.90	16.1	0.69
	92-106	15	114	14.2	1.82	1.00	1.34	12.8	2.54, 0.00, 0.00	14.2	0.89
	107-113	7	50	17.5	7.07	1.00	2.30	12.2	47.62, 0.00, 7.51	17.5	0.65
	114-119	6	58	18.4	7.25	1.00	2.45	8.6	0.00, 24.62, 16.34	18.4	0.66
	120-130	11	85	15.8	2.16	1.00	1.27	14.3	14.83, 0.00, 0.00	15.8	0.88
	131-137	7	54	19.9	4.13	1.00	1.12	15.4	0.00, 13.84, 19.46	19.9	0.81
	138-150	13	90	20.7	4.97	1.00	1.43	16.6	29.02, 5.05, 0.00	20.7	0.77
	151-166	16	130	18.8	4.96	1.00	1.99	3.8	12.83, 0.58, 0.00	18.8	0.76
	167-174	8	65	24.7	6.29	1.00	1.82	18.6	30.40, 13.30, 0.00	24.7	0.76
	175-195	21	148	20.0	4.12	1.00	1.10	13.1	0.00, 5.45, 7.11	20.0	0.77
	196-216	21	143	19.4	4.23	1.00	1.22	13.1	4.72, 2.58, 0.00	19.4	0.75
	217-222	6	43	37.0	6.86	1.00	2.07	14.1	43.77, 6.96, 0.00	37.0	0.80

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=1.39 and residual=0.07)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-15	7	58	23.1	5.32	1.00	1.72	16.9	23.98, 0.00, 10.60	23.1	0.77
	16-37	22	178	22.9	6.15	1.00	1.69	13.0	0.00, 9.35, 7.61	22.9	0.71
	38-59	22	169	18.3	4.14	1.00	1.63	13.3	6.77, 0.00, 3.32	18.3	0.77
	60-64	5	46	29.7	6.08	1.00	1.52	23.8	0.00, 8.11, 15.93	29.7	0.78
	65-77	13	101	14.7	3.05	1.00	1.31	10.6	0.00, 3.22, 5.08	14.7	0.81
	78-91	14	108	16.1	5.75	1.00	1.81	11.2	30.56, 0.00, 2.90	16.1	0.69
	92-106	15	114	14.2	1.82	1.00	1.34	12.8	2.54, 0.00, 0.00	14.2	0.89
	107-113	7	50	17.5	7.07	1.00	2.30	12.2	47.62, 0.00, 7.51	17.5	0.65
	114-119	6	58	18.4	7.25	1.00	2.45	8.6	0.00, 24.62, 16.34	18.4	0.66
	120-130	11	85	15.8	2.16	1.00	1.27	14.3	14.83, 0.00, 0.00	15.8	0.88
	131-137	7	54	19.9	4.13	1.00	1.12	15.4	0.00, 13.84, 19.46	19.9	0.81
	138-149	12	86	20.8	5.07	1.00	1.46	16.8	29.10, 4.92, 0.00	20.8	0.77
	150-154	5	40	17.8	5.35	1.00	1.47	13.6	36.44, 0.00, 8.32	17.8	0.73
	155-166	12	94	19.3	4.60	1.00	1.66	12.9	10.21, 2.66, 0.00	19.3	0.78
	167-174	8	65	24.7	6.29	1.00	1.82	18.6	30.40, 13.30, 0.00	24.7	0.76
	175-195	21	148	20.0	4.12	1.00	1.10	13.1	0.00, 5.45, 7.11	20.0	0.77
	196-216	21	143	19.4	4.23	1.00	1.22	13.1	4.72, 2.58, 0.00	19.4	0.75
	217-222	6	43	37.0	6.86	1.00	2.07	14.1	43.77, 6.96, 0.00	37.0	0.80

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=1.36 and residual=0.06)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-15	7	58	23.1	5.32	1.00	1.72	16.9	23.98, 0.00, 10.60	23.1	0.77
	16-33	18	139	21.5	5.78	1.00	1.53	13.2	0.00, 8.48, 6.75	21.5	0.72
	34-38	5	47	27.7	4.41	1.00	1.56	23.1	28.97, 7.84, 0.00	27.7	0.85
	39-59	21	161	17.8	3.76	1.00	1.46	13.7	0.00, 5.91, 3.62	17.8	0.78
	60-64	5	46	29.7	6.08	1.00	1.52	23.8	0.00, 8.11, 15.93	29.7	0.78
	65-77	13	101	14.7	3.05	1.00	1.31	10.6	0.00, 3.22, 5.08	14.7	0.81
	78-91	14	108	16.1	5.75	1.00	1.81	11.2	30.56, 0.00, 2.90	16.1	0.69
	92-106	15	114	14.2	1.82	1.00	1.34	12.8	2.54, 0.00, 0.00	14.2	0.89
	107-113	7	50	17.5	7.07	1.00	2.30	12.2	47.62, 0.00, 7.51	17.5	0.65
	114-119	6	58	18.4	7.25	1.00	2.45	8.6	0.00, 24.62, 16.34	18.4	0.66
	120-130	11	85	15.8	2.16	1.00	1.27	14.3	14.83, 0.00, 0.00	15.8	0.88
	131-137	7	54	19.9	4.13	1.00	1.12	15.4	0.00, 13.84, 19.46	19.9	0.81
	138-149	12	86	20.8	5.07	1.00	1.46	16.8	29.10, 4.92, 0.00	20.8	0.77
	150-154	5	40	17.8	5.35	1.00	1.47	13.6	36.44, 0.00, 8.32	17.8	0.73
	155-166	12	94	19.3	4.60	1.00	1.66	12.9	10.21, 2.66, 0.00	19.3	0.78
	167-174	8	65	24.7	6.29	1.00	1.82	18.6	30.40, 13.30, 0.00	24.7	0.76
	175-195	21	148	20.0	4.12	1.00	1.10	13.1	0.00, 5.45, 7.11	20.0	0.77
	196-216	21	143	19.4	4.23	1.00	1.22	13.1	4.72, 2.58, 0.00	19.4	0.75
	217-222	6	43	37.0	6.86	1.00	2.07	14.1	43.77, 6.96, 0.00	37.0	0.80

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=1.32 and residual=0.06)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-15	7	58	23.1	5.32	1.00	1.72	16.9	23.98, 0.00, 10.60	23.1	0.77
	16-33	18	139	21.5	5.78	1.00	1.53	13.2	0.00, 8.48, 6.75	21.5	0.72
	34-38	5	47	27.7	4.41	1.00	1.56	23.1	28.97, 7.84, 0.00	27.7	0.85
	39-49	11	85	15.7	2.53	1.00	1.16	12.8	0.00, 6.21, 3.77	15.7	0.84
	50-58	9	65	20.2	3.62	1.00	1.09	16.4	18.23, 3.02, 0.00	20.2	0.81
	59-64	6	57	28.0	6.50	1.00	1.64	21.0	17.43, 7.45, 0.00	28.0	0.76
	65-77	13	101	14.7	3.05	1.00	1.31	10.6	0.00, 3.22, 5.08	14.7	0.81
	78-91	14	108	16.1	5.75	1.00	1.81	11.2	30.56, 0.00, 2.90	16.1	0.69
	92-106	15	114	14.2	1.82	1.00	1.34	12.8	2.54, 0.00, 0.00	14.2	0.89
	107-113	7	50	17.5	7.07	1.00	2.30	12.2	47.62, 0.00, 7.51	17.5	0.65
	114-119	6	58	18.4	7.25	1.00	2.45	8.6	0.00, 24.62, 16.34	18.4	0.66
	120-130	11	85	15.8	2.16	1.00	1.27	14.3	14.83, 0.00, 0.00	15.8	0.88
	131-137	7	54	19.9	4.13	1.00	1.12	15.4	0.00, 13.84, 19.46	19.9	0.81
	138-149	12	86	20.8	5.07	1.00	1.46	16.8	29.10, 4.92, 0.00	20.8	0.77
	150-154	5	40	17.8	5.35	1.00	1.47	13.6	36.44, 0.00, 8.32	17.8	0.73
	155-166	12	94	19.3	4.60	1.00	1.66	12.9	10.21, 2.66, 0.00	19.3	0.78
	167-174	8	65	24.7	6.29	1.00	1.82	18.6	30.40, 13.30, 0.00	24.7	0.76
	175-195	21	148	20.0	4.12	1.00	1.10	13.1	0.00, 5.45, 7.11	20.0	0.77
	196-216	21	143	19.4	4.23	1.00	1.22	13.1	4.72, 2.58, 0.00	19.4	0.75
	217-222	6	43	37.0	6.86	1.00	2.07	14.1	43.77, 6.96, 0.00	37.0	0.80

26 Mar 2010

JobID: TLSMD7766_HvlAdtJq

TLSMD Version 1.4.1 Released 11 February 2010