1JG6: Chain A TLS Analysis

26 Mar 2010

JobID: TLSMD7768_GeqMHSlE

TLSMD Version 1.4.1

1JG6: 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=4.18 and residual=0.98)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-351	351	2869	21.1	5.68	1.00	4.23	14.1	2.46, 0.00, 1.12	21.1	0.82

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=3.58 and residual=0.72)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-166	166	1352	22.5	5.88	1.00	3.82	14.9	4.23, 0.00, 1.70	22.5	0.80
	167-351	185	1517	19.8	5.16	1.00	3.48	12.9	3.53, 0.00, 1.67	19.8	0.80

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=3.33 and residual=0.62)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-95	95	751	22.5	5.76	1.00	3.05	15.2	0.00, 3.48, 5.27	22.5	0.78
	96-166	71	601	22.6	6.03	1.00	3.45	15.3	6.92, 0.00, 1.01	22.6	0.78
	167-351	185	1517	19.8	5.16	1.00	3.48	12.9	3.53, 0.00, 1.67	19.8	0.80

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=3.20 and residual=0.58)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-95	95	751	22.5	5.76	1.00	3.05	15.2	0.00, 3.48, 5.27	22.5	0.78
	96-166	71	601	22.6	6.03	1.00	3.45	15.3	6.92, 0.00, 1.01	22.6	0.78
	167-310	144	1176	19.2	5.05	1.00	3.28	13.0	3.72, 0.00, 1.86	19.2	0.80
	311-351	41	341	21.8	5.07	1.00	3.14	12.3	11.72, 0.00, 2.26	21.8	0.81

Summary of Optimal TLS Group Partition using 5 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 5 Chain Segments (overall rmsd_b=3.07 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>
	1-98	98	782	22.3	5.77	1.00	3.07	15.1	0.00, 3.30, 4.61	22.3	0.78
	99-131	33	283	23.9	5.98	1.00	3.28	19.7	0.00, 9.68, 0.00	23.9	0.79
	132-170	39	321	21.5	5.75	1.00	3.16	14.4	0.00, 2.69, 8.97	21.5	0.77
	171-310	140	1142	19.3	5.09	1.00	3.26	12.9	0.00, 3.54, 2.18	19.3	0.79
	311-351	41	341	21.8	5.07	1.00	3.14	12.3	11.72, 0.00, 2.26	21.8	0.81

Summary of Optimal TLS Group Partition using 6 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 6 Chain Segments (overall rmsd_b=2.93 and residual=0.48)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-98	98	782	22.3	5.77	1.00	3.07	15.1	0.00, 3.30, 4.61	22.3	0.78
	99-131	33	283	23.9	5.98	1.00	3.28	19.7	0.00, 9.68, 0.00	23.9	0.79
	132-170	39	321	21.5	5.75	1.00	3.16	14.4	0.00, 2.69, 8.97	21.5	0.77
	171-237	67	549	20.7	5.59	1.00	2.91	13.0	6.22, 2.87, 0.00	20.7	0.77
	238-310	73	593	17.9	4.17	1.00	3.05	13.9	3.75, 0.00, 1.10	17.9	0.83
	311-351	41	341	21.8	5.07	1.00	3.14	12.3	11.72, 0.00, 2.26	21.8	0.81

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

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Analysis of TLS Group 7 Chain Segments (overall rmsd_b=2.83 and residual=0.45)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-98	98	782	22.3	5.77	1.00	3.07	15.1	0.00, 3.30, 4.61	22.3	0.78
	99-131	33	283	23.9	5.98	1.00	3.28	19.7	0.00, 9.68, 0.00	23.9	0.79
	132-166	35	287	21.9	5.86	1.00	2.77	14.5	0.00, 7.88, 5.26	21.9	0.76
	167-211	45	363	18.8	4.17	1.00	2.45	13.2	4.08, 1.52, 0.00	18.8	0.81
	212-244	33	272	22.6	6.03	1.00	2.89	17.8	14.99, 0.40, 0.00	22.6	0.77
	245-310	66	541	17.8	4.22	1.00	2.87	13.6	4.13, 0.00, 1.83	17.8	0.82
	311-351	41	341	21.8	5.07	1.00	3.14	12.3	11.72, 0.00, 2.26	21.8	0.81

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=2.73 and residual=0.42)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-43	43	334	20.8	5.26	1.00	2.53	14.4	9.44, 3.00, 0.00	20.8	0.78
	44-98	55	448	23.4	5.88	1.00	2.97	15.1	0.00, 2.11, 4.98	23.4	0.76
	99-131	33	283	23.9	5.98	1.00	3.28	19.7	0.00, 9.68, 0.00	23.9	0.79
	132-166	35	287	21.9	5.86	1.00	2.77	14.5	0.00, 7.88, 5.26	21.9	0.76
	167-211	45	363	18.8	4.17	1.00	2.45	13.2	4.08, 1.52, 0.00	18.8	0.81
	212-244	33	272	22.6	6.03	1.00	2.89	17.8	14.99, 0.40, 0.00	22.6	0.77
	245-310	66	541	17.8	4.22	1.00	2.87	13.6	4.13, 0.00, 1.83	17.8	0.82
	311-351	41	341	21.8	5.07	1.00	3.14	12.3	11.72, 0.00, 2.26	21.8	0.81

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=2.65 and residual=0.40)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-43	43	334	20.8	5.26	1.00	2.53	14.4	9.44, 3.00, 0.00	20.8	0.78
	44-98	55	448	23.4	5.88	1.00	2.97	15.1	0.00, 2.11, 4.98	23.4	0.76
	99-131	33	283	23.9	5.98	1.00	3.28	19.7	0.00, 9.68, 0.00	23.9	0.79
	132-165	34	278	21.6	5.61	1.00	2.43	14.9	0.00, 6.39, 4.71	21.6	0.75
	166-176	11	94	21.5	5.56	1.00	2.99	18.2	20.37, 0.00, 0.00	21.5	0.79
	177-211	35	278	18.3	3.92	1.00	1.86	11.3	4.88, 1.37, 0.00	18.3	0.80
	212-244	33	272	22.6	6.03	1.00	2.89	17.8	14.99, 0.40, 0.00	22.6	0.77
	245-310	66	541	17.8	4.22	1.00	2.87	13.6	4.13, 0.00, 1.83	17.8	0.82
	311-351	41	341	21.8	5.07	1.00	3.14	12.3	11.72, 0.00, 2.26	21.8	0.81

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=2.57 and residual=0.37)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-43	43	334	20.8	5.26	1.00	2.53	14.4	9.44, 3.00, 0.00	20.8	0.78
	44-70	27	216	23.7	5.73	1.00	2.51	17.8	5.60, 0.00, 2.69	23.7	0.73
	71-110	40	334	22.2	5.77	1.00	2.63	14.1	5.67, 0.48, 2.52	22.2	0.75
	111-132	22	189	25.9	5.54	1.00	2.57	21.2	20.06, 0.00, 0.00	25.9	0.82
	133-165	33	270	21.6	5.69	1.00	2.40	14.8	0.00, 7.20, 4.42	21.6	0.75
	166-176	11	94	21.5	5.56	1.00	2.99	18.2	20.37, 0.00, 0.00	21.5	0.79
	177-211	35	278	18.3	3.92	1.00	1.86	11.3	4.88, 1.37, 0.00	18.3	0.80
	212-244	33	272	22.6	6.03	1.00	2.89	17.8	14.99, 0.40, 0.00	22.6	0.77
	245-310	66	541	17.8	4.22	1.00	2.87	13.6	4.13, 0.00, 1.83	17.8	0.82
	311-351	41	341	21.8	5.07	1.00	3.14	12.3	11.72, 0.00, 2.26	21.8	0.81

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=2.50 and residual=0.35)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-43	43	334	20.8	5.26	1.00	2.53	14.4	9.44, 3.00, 0.00	20.8	0.78
	44-70	27	216	23.7	5.73	1.00	2.51	17.8	5.60, 0.00, 2.69	23.7	0.73
	71-110	40	334	22.2	5.77	1.00	2.63	14.1	5.67, 0.48, 2.52	22.2	0.75
	111-132	22	189	25.9	5.54	1.00	2.57	21.2	20.06, 0.00, 0.00	25.9	0.82
	133-165	33	270	21.6	5.69	1.00	2.40	14.8	0.00, 7.20, 4.42	21.6	0.75
	166-176	11	94	21.5	5.56	1.00	2.99	18.2	20.37, 0.00, 0.00	21.5	0.79
	177-211	35	278	18.3	3.92	1.00	1.86	11.3	4.88, 1.37, 0.00	18.3	0.80
	212-237	26	220	23.4	6.19	1.00	2.51	17.8	14.48, 1.30, 0.00	23.4	0.76
	238-250	13	98	19.4	4.70	1.00	2.35	15.6	0.00, 33.70, 0.00	19.4	0.80
	251-310	60	495	17.7	4.00	1.00	2.75	14.3	4.06, 0.00, 1.65	17.7	0.83
	311-351	41	341	21.8	5.07	1.00	3.14	12.3	11.72, 0.00, 2.26	21.8	0.81

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=2.43 and residual=0.33)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-43	43	334	20.8	5.26	1.00	2.53	14.4	9.44, 3.00, 0.00	20.8	0.78
	44-70	27	216	23.7	5.73	1.00	2.51	17.8	5.60, 0.00, 2.69	23.7	0.73
	71-110	40	334	22.2	5.77	1.00	2.63	14.1	5.67, 0.48, 2.52	22.2	0.75
	111-132	22	189	25.9	5.54	1.00	2.57	21.2	20.06, 0.00, 0.00	25.9	0.82
	133-165	33	270	21.6	5.69	1.00	2.40	14.8	0.00, 7.20, 4.42	21.6	0.75
	166-176	11	94	21.5	5.56	1.00	2.99	18.2	20.37, 0.00, 0.00	21.5	0.79
	177-211	35	278	18.3	3.92	1.00	1.86	11.3	4.88, 1.37, 0.00	18.3	0.80
	212-237	26	220	23.4	6.19	1.00	2.51	17.8	14.48, 1.30, 0.00	23.4	0.76
	238-250	13	98	19.4	4.70	1.00	2.35	15.6	0.00, 33.70, 0.00	19.4	0.80
	251-310	60	495	17.7	4.00	1.00	2.75	14.3	4.06, 0.00, 1.65	17.7	0.83
	311-336	26	215	20.6	4.24	1.00	2.30	15.1	14.33, 0.00, 2.66	20.6	0.82
	337-351	15	126	23.7	5.74	1.00	2.65	16.7	28.22, 0.00, 5.72	23.7	0.79

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=2.37 and residual=0.32)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-43	43	334	20.8	5.26	1.00	2.53	14.4	9.44, 3.00, 0.00	20.8	0.78
	44-70	27	216	23.7	5.73	1.00	2.51	17.8	5.60, 0.00, 2.69	23.7	0.73
	71-110	40	334	22.2	5.77	1.00	2.63	14.1	5.67, 0.48, 2.52	22.2	0.75
	111-132	22	189	25.9	5.54	1.00	2.57	21.2	20.06, 0.00, 0.00	25.9	0.82
	133-165	33	270	21.6	5.69	1.00	2.40	14.8	0.00, 7.20, 4.42	21.6	0.75
	166-176	11	94	21.5	5.56	1.00	2.99	18.2	20.37, 0.00, 0.00	21.5	0.79
	177-211	35	278	18.3	3.92	1.00	1.86	11.3	4.88, 1.37, 0.00	18.3	0.80
	212-237	26	220	23.4	6.19	1.00	2.51	17.8	14.48, 1.30, 0.00	23.4	0.76
	238-249	12	93	19.6	4.71	1.00	2.34	15.7	0.00, 33.73, 0.00	19.6	0.80
	250-268	19	146	17.3	3.44	1.00	1.99	13.1	10.58, 1.98, 0.00	17.3	0.84
	269-310	42	354	17.8	4.19	1.00	2.56	14.4	0.00, 3.38, 2.20	17.8	0.80
	311-336	26	215	20.6	4.24	1.00	2.30	15.1	14.33, 0.00, 2.66	20.6	0.82
	337-351	15	126	23.7	5.74	1.00	2.65	16.7	28.22, 0.00, 5.72	23.7	0.79

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=2.31 and residual=0.30)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-43	43	334	20.8	5.26	1.00	2.53	14.4	9.44, 3.00, 0.00	20.8	0.78
	44-69	26	208	23.5	5.67	1.00	2.46	18.1	5.01, 2.93, 0.00	23.5	0.74
	70-91	22	174	24.9	6.11	1.00	2.37	17.0	15.72, 4.51, 0.00	24.9	0.76
	92-110	19	168	19.7	4.13	1.00	1.95	14.9	0.00, 2.32, 5.52	19.7	0.82
	111-132	22	189	25.9	5.54	1.00	2.57	21.2	20.06, 0.00, 0.00	25.9	0.82
	133-165	33	270	21.6	5.69	1.00	2.40	14.8	0.00, 7.20, 4.42	21.6	0.75
	166-176	11	94	21.5	5.56	1.00	2.99	18.2	20.37, 0.00, 0.00	21.5	0.79
	177-211	35	278	18.3	3.92	1.00	1.86	11.3	4.88, 1.37, 0.00	18.3	0.80
	212-237	26	220	23.4	6.19	1.00	2.51	17.8	14.48, 1.30, 0.00	23.4	0.76
	238-249	12	93	19.6	4.71	1.00	2.34	15.7	0.00, 33.73, 0.00	19.6	0.80
	250-268	19	146	17.3	3.44	1.00	1.99	13.1	10.58, 1.98, 0.00	17.3	0.84
	269-310	42	354	17.8	4.19	1.00	2.56	14.4	0.00, 3.38, 2.20	17.8	0.80
	311-336	26	215	20.6	4.24	1.00	2.30	15.1	14.33, 0.00, 2.66	20.6	0.82
	337-351	15	126	23.7	5.74	1.00	2.65	16.7	28.22, 0.00, 5.72	23.7	0.79

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=2.25 and residual=0.28)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-21	21	158	21.3	5.64	1.00	2.03	14.5	6.94, 0.00, 1.12	21.3	0.74
	22-43	22	176	20.3	4.84	1.00	2.17	14.2	13.60, 0.00, 3.63	20.3	0.78
	44-69	26	208	23.5	5.67	1.00	2.46	18.1	5.01, 2.93, 0.00	23.5	0.74
	70-91	22	174	24.9	6.11	1.00	2.37	17.0	15.72, 4.51, 0.00	24.9	0.76
	92-110	19	168	19.7	4.13	1.00	1.95	14.9	0.00, 2.32, 5.52	19.7	0.82
	111-132	22	189	25.9	5.54	1.00	2.57	21.2	20.06, 0.00, 0.00	25.9	0.82
	133-165	33	270	21.6	5.69	1.00	2.40	14.8	0.00, 7.20, 4.42	21.6	0.75
	166-176	11	94	21.5	5.56	1.00	2.99	18.2	20.37, 0.00, 0.00	21.5	0.79
	177-211	35	278	18.3	3.92	1.00	1.86	11.3	4.88, 1.37, 0.00	18.3	0.80
	212-237	26	220	23.4	6.19	1.00	2.51	17.8	14.48, 1.30, 0.00	23.4	0.76
	238-249	12	93	19.6	4.71	1.00	2.34	15.7	0.00, 33.73, 0.00	19.6	0.80
	250-268	19	146	17.3	3.44	1.00	1.99	13.1	10.58, 1.98, 0.00	17.3	0.84
	269-310	42	354	17.8	4.19	1.00	2.56	14.4	0.00, 3.38, 2.20	17.8	0.80
	311-336	26	215	20.6	4.24	1.00	2.30	15.1	14.33, 0.00, 2.66	20.6	0.82
	337-351	15	126	23.7	5.74	1.00	2.65	16.7	28.22, 0.00, 5.72	23.7	0.79

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=2.19 and residual=0.27)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-21	21	158	21.3	5.64	1.00	2.03	14.5	6.94, 0.00, 1.12	21.3	0.74
	22-43	22	176	20.3	4.84	1.00	2.17	14.2	13.60, 0.00, 3.63	20.3	0.78
	44-69	26	208	23.5	5.67	1.00	2.46	18.1	5.01, 2.93, 0.00	23.5	0.74
	70-91	22	174	24.9	6.11	1.00	2.37	17.0	15.72, 4.51, 0.00	24.9	0.76
	92-110	19	168	19.7	4.13	1.00	1.95	14.9	0.00, 2.32, 5.52	19.7	0.82
	111-132	22	189	25.9	5.54	1.00	2.57	21.2	20.06, 0.00, 0.00	25.9	0.82
	133-165	33	270	21.6	5.69	1.00	2.40	14.8	0.00, 7.20, 4.42	21.6	0.75
	166-176	11	94	21.5	5.56	1.00	2.99	18.2	20.37, 0.00, 0.00	21.5	0.79
	177-211	35	278	18.3	3.92	1.00	1.86	11.3	4.88, 1.37, 0.00	18.3	0.80
	212-237	26	220	23.4	6.19	1.00	2.51	17.8	14.48, 1.30, 0.00	23.4	0.76
	238-249	12	93	19.6	4.71	1.00	2.34	15.7	0.00, 33.73, 0.00	19.6	0.80
	250-269	20	157	17.1	3.47	1.00	1.98	12.7	10.70, 1.94, 0.00	17.1	0.83
	270-286	17	137	16.4	3.44	1.00	2.38	13.6	5.82, 0.00, 0.00	16.4	0.85
	287-310	24	206	18.9	4.32	1.00	2.48	15.6	0.00, 3.13, 4.15	18.9	0.82
	311-336	26	215	20.6	4.24	1.00	2.30	15.1	14.33, 0.00, 2.66	20.6	0.82
	337-351	15	126	23.7	5.74	1.00	2.65	16.7	28.22, 0.00, 5.72	23.7	0.79

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=2.13 and residual=0.26)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-21	21	158	21.3	5.64	1.00	2.03	14.5	6.94, 0.00, 1.12	21.3	0.74
	22-43	22	176	20.3	4.84	1.00	2.17	14.2	13.60, 0.00, 3.63	20.3	0.78
	44-69	26	208	23.5	5.67	1.00	2.46	18.1	5.01, 2.93, 0.00	23.5	0.74
	70-83	14	102	24.8	5.85	1.00	1.81	18.4	18.78, 0.00, 5.76	24.8	0.76
	84-105	22	198	20.8	5.72	1.00	2.36	14.2	0.09, 3.51, 5.90	20.8	0.74
	106-128	23	201	25.5	5.31	1.00	2.66	21.1	0.00, 0.00, 0.00	25.5	0.83
	129-148	20	147	21.1	4.39	1.00	1.76	14.5	10.73, 0.00, 2.11	21.1	0.81
	149-165	17	153	22.8	6.73	1.00	2.23	14.1	0.00, 4.00, 10.06	22.8	0.70
	166-176	11	94	21.5	5.56	1.00	2.99	18.2	20.37, 0.00, 0.00	21.5	0.79
	177-211	35	278	18.3	3.92	1.00	1.86	11.3	4.88, 1.37, 0.00	18.3	0.80
	212-237	26	220	23.4	6.19	1.00	2.51	17.8	14.48, 1.30, 0.00	23.4	0.76
	238-249	12	93	19.6	4.71	1.00	2.34	15.7	0.00, 33.73, 0.00	19.6	0.80
	250-269	20	157	17.1	3.47	1.00	1.98	12.7	10.70, 1.94, 0.00	17.1	0.83
	270-286	17	137	16.4	3.44	1.00	2.38	13.6	5.82, 0.00, 0.00	16.4	0.85
	287-310	24	206	18.9	4.32	1.00	2.48	15.6	0.00, 3.13, 4.15	18.9	0.82
	311-336	26	215	20.6	4.24	1.00	2.30	15.1	14.33, 0.00, 2.66	20.6	0.82
	337-351	15	126	23.7	5.74	1.00	2.65	16.7	28.22, 0.00, 5.72	23.7	0.79

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=2.08 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>
	1-21	21	158	21.3	5.64	1.00	2.03	14.5	6.94, 0.00, 1.12	21.3	0.74
	22-43	22	176	20.3	4.84	1.00	2.17	14.2	13.60, 0.00, 3.63	20.3	0.78
	44-69	26	208	23.5	5.67	1.00	2.46	18.1	5.01, 2.93, 0.00	23.5	0.74
	70-83	14	102	24.8	5.85	1.00	1.81	18.4	18.78, 0.00, 5.76	24.8	0.76
	84-105	22	198	20.8	5.72	1.00	2.36	14.2	0.09, 3.51, 5.90	20.8	0.74
	106-128	23	201	25.5	5.31	1.00	2.66	21.1	0.00, 0.00, 0.00	25.5	0.83
	129-148	20	147	21.1	4.39	1.00	1.76	14.5	10.73, 0.00, 2.11	21.1	0.81
	149-165	17	153	22.8	6.73	1.00	2.23	14.1	0.00, 4.00, 10.06	22.8	0.70
	166-176	11	94	21.5	5.56	1.00	2.99	18.2	20.37, 0.00, 0.00	21.5	0.79
	177-214	38	304	18.2	3.80	1.00	1.84	11.8	4.82, 1.56, 0.00	18.2	0.81
	215-220	6	51	28.1	7.75	1.00	2.65	25.5	27.83, 0.00, 0.00	28.1	0.71
	221-237	17	143	22.8	4.76	1.00	1.80	16.9	13.86, 0.68, 0.00	22.8	0.82
	238-249	12	93	19.6	4.71	1.00	2.34	15.7	0.00, 33.73, 0.00	19.6	0.80
	250-269	20	157	17.1	3.47	1.00	1.98	12.7	10.70, 1.94, 0.00	17.1	0.83
	270-286	17	137	16.4	3.44	1.00	2.38	13.6	5.82, 0.00, 0.00	16.4	0.85
	287-310	24	206	18.9	4.32	1.00	2.48	15.6	0.00, 3.13, 4.15	18.9	0.82
	311-336	26	215	20.6	4.24	1.00	2.30	15.1	14.33, 0.00, 2.66	20.6	0.82
	337-351	15	126	23.7	5.74	1.00	2.65	16.7	28.22, 0.00, 5.72	23.7	0.79

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=2.02 and residual=0.23)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-21	21	158	21.3	5.64	1.00	2.03	14.5	6.94, 0.00, 1.12	21.3	0.74
	22-43	22	176	20.3	4.84	1.00	2.17	14.2	13.60, 0.00, 3.63	20.3	0.78
	44-69	26	208	23.5	5.67	1.00	2.46	18.1	5.01, 2.93, 0.00	23.5	0.74
	70-83	14	102	24.8	5.85	1.00	1.81	18.4	18.78, 0.00, 5.76	24.8	0.76
	84-105	22	198	20.8	5.72	1.00	2.36	14.2	0.09, 3.51, 5.90	20.8	0.74
	106-128	23	201	25.5	5.31	1.00	2.66	21.1	0.00, 0.00, 0.00	25.5	0.83
	129-148	20	147	21.1	4.39	1.00	1.76	14.5	10.73, 0.00, 2.11	21.1	0.81
	149-165	17	153	22.8	6.73	1.00	2.23	14.1	0.00, 4.00, 10.06	22.8	0.70
	166-176	11	94	21.5	5.56	1.00	2.99	18.2	20.37, 0.00, 0.00	21.5	0.79
	177-214	38	304	18.2	3.80	1.00	1.84	11.8	4.82, 1.56, 0.00	18.2	0.81
	215-220	6	51	28.1	7.75	1.00	2.65	25.5	27.83, 0.00, 0.00	28.1	0.71
	221-237	17	143	22.8	4.76	1.00	1.80	16.9	13.86, 0.68, 0.00	22.8	0.82
	238-249	12	93	19.6	4.71	1.00	2.34	15.7	0.00, 33.73, 0.00	19.6	0.80
	250-269	20	157	17.1	3.47	1.00	1.98	12.7	10.70, 1.94, 0.00	17.1	0.83
	270-286	17	137	16.4	3.44	1.00	2.38	13.6	5.82, 0.00, 0.00	16.4	0.85
	287-309	23	199	19.0	4.34	1.00	2.52	15.8	0.00, 3.16, 4.19	19.0	0.82
	310-318	9	72	23.1	5.38	1.00	3.08	16.5	29.86, 3.54, 0.00	23.1	0.81
	319-336	18	150	19.2	2.83	1.00	1.24	16.2	10.51, 2.32, 0.00	19.2	0.86
	337-351	15	126	23.7	5.74	1.00	2.65	16.7	28.22, 0.00, 5.72	23.7	0.79

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=1.97 and residual=0.22)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-21	21	158	21.3	5.64	1.00	2.03	14.5	6.94, 0.00, 1.12	21.3	0.74
	22-43	22	176	20.3	4.84	1.00	2.17	14.2	13.60, 0.00, 3.63	20.3	0.78
	44-69	26	208	23.5	5.67	1.00	2.46	18.1	5.01, 2.93, 0.00	23.5	0.74
	70-83	14	102	24.8	5.85	1.00	1.81	18.4	18.78, 0.00, 5.76	24.8	0.76
	84-105	22	198	20.8	5.72	1.00	2.36	14.2	0.09, 3.51, 5.90	20.8	0.74
	106-128	23	201	25.5	5.31	1.00	2.66	21.1	0.00, 0.00, 0.00	25.5	0.83
	129-148	20	147	21.1	4.39	1.00	1.76	14.5	10.73, 0.00, 2.11	21.1	0.81
	149-165	17	153	22.8	6.73	1.00	2.23	14.1	0.00, 4.00, 10.06	22.8	0.70
	166-176	11	94	21.5	5.56	1.00	2.99	18.2	20.37, 0.00, 0.00	21.5	0.79
	177-214	38	304	18.2	3.80	1.00	1.84	11.8	4.82, 1.56, 0.00	18.2	0.81
	215-220	6	51	28.1	7.75	1.00	2.65	25.5	27.83, 0.00, 0.00	28.1	0.71
	221-237	17	143	22.8	4.76	1.00	1.80	16.9	13.86, 0.68, 0.00	22.8	0.82
	238-249	12	93	19.6	4.71	1.00	2.34	15.7	0.00, 33.73, 0.00	19.6	0.80
	250-269	20	157	17.1	3.47	1.00	1.98	12.7	10.70, 1.94, 0.00	17.1	0.83
	270-284	15	117	16.0	3.07	1.00	2.34	13.1	4.87, 0.00, 0.02	16.0	0.87
	285-296	12	102	21.2	4.92	1.00	1.71	13.1	1.58, 11.69, 7.13	21.2	0.76
	297-309	13	117	17.0	2.56	1.00	2.26	16.2	5.26, 0.00, 0.00	17.0	0.92
	310-318	9	72	23.1	5.38	1.00	3.08	16.5	29.86, 3.54, 0.00	23.1	0.81
	319-336	18	150	19.2	2.83	1.00	1.24	16.2	10.51, 2.32, 0.00	19.2	0.86
	337-351	15	126	23.7	5.74	1.00	2.65	16.7	28.22, 0.00, 5.72	23.7	0.79

26 Mar 2010

JobID: TLSMD7768_GeqMHSlE

TLSMD Version 1.4.1 Released 11 February 2010