1IOM: Chain A TLS Analysis

26 Mar 2010

JobID: TLSMD7773_LsBYSdhs

TLSMD Version 1.4.1

1IOM: 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
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 1 Chain Segments (overall rmsd_b=3.59 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>
	3-376	374	2977	13.3	6.67	1.00	3.61	4.9	1.88, 0.54, 0.00	13.3	0.63

Summary of Optimal TLS Group Partition using 2 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 2 Chain Segments (overall rmsd_b=3.07 and residual=0.57)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	3-356	354	2811	13.1	6.65	1.00	3.12	5.4	2.01, 0.08, 0.95	13.1	0.61
	357-376	20	166	16.4	6.22	1.00	2.17	5.0	9.69, 0.00, 3.70	16.4	0.67

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=2.78 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>
	3-275	273	2153	12.9	6.85	1.00	2.95	5.4	0.07, 1.85, 1.04	12.9	0.61
	276-356	81	658	13.9	5.89	1.00	2.49	5.7	0.00, 2.22, 1.50	13.9	0.61
	357-376	20	166	16.4	6.22	1.00	2.17	5.0	9.69, 0.00, 3.70	16.4	0.67

Summary of Optimal TLS Group Partition using 4 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 4 Chain Segments (overall rmsd_b=2.51 and residual=0.38)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	3-223	221	1742	10.9	4.47	1.00	2.65	4.8	0.05, 2.01, 1.24	10.9	0.68
	224-284	61	484	21.6	7.84	1.00	2.82	8.4	0.00, 4.05, 4.67	21.6	0.64
	285-356	72	585	12.9	5.20	1.00	2.18	5.5	2.35, 1.36, 0.00	12.9	0.64
	357-376	20	166	16.4	6.22	1.00	2.17	5.0	9.69, 0.00, 3.70	16.4	0.67

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=2.35 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>
	3-70	68	556	12.9	5.64	1.00	3.11	3.4	0.00, 3.03, 3.82	12.9	0.66
	71-223	153	1186	9.9	3.38	1.00	1.96	5.2	2.13, 0.07, 0.77	9.9	0.72
	224-284	61	484	21.6	7.84	1.00	2.82	8.4	0.00, 4.05, 4.67	21.6	0.64
	285-356	72	585	12.9	5.20	1.00	2.18	5.5	2.35, 1.36, 0.00	12.9	0.64
	357-376	20	166	16.4	6.22	1.00	2.17	5.0	9.69, 0.00, 3.70	16.4	0.67

Summary of Optimal TLS Group Partition using 6 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 6 Chain Segments (overall rmsd_b=2.19 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>
	3-15	13	92	14.8	3.80	1.00	0.89	9.2	12.26, 2.67, 0.00	14.8	0.75
	16-64	49	424	12.5	5.79	1.00	2.25	4.5	9.18, 0.06, 4.25	12.5	0.61
	65-223	159	1226	10.0	3.58	1.00	2.14	5.0	2.26, 0.01, 0.91	10.0	0.72
	224-284	61	484	21.6	7.84	1.00	2.82	8.4	0.00, 4.05, 4.67	21.6	0.64
	285-356	72	585	12.9	5.20	1.00	2.18	5.5	2.35, 1.36, 0.00	12.9	0.64
	357-376	20	166	16.4	6.22	1.00	2.17	5.0	9.69, 0.00, 3.70	16.4	0.67

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=2.10 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>
	3-15	13	92	14.8	3.80	1.00	0.89	9.2	12.26, 2.67, 0.00	14.8	0.75
	16-56	41	350	11.4	4.82	1.00	2.06	4.8	8.27, 0.53, 3.71	11.4	0.65
	57-70	14	114	16.0	7.24	1.00	2.12	6.6	32.74, 0.00, 4.35	16.0	0.61
	71-223	153	1186	9.9	3.38	1.00	1.96	5.2	2.13, 0.07, 0.77	9.9	0.72
	224-284	61	484	21.6	7.84	1.00	2.82	8.4	0.00, 4.05, 4.67	21.6	0.64
	285-356	72	585	12.9	5.20	1.00	2.18	5.5	2.35, 1.36, 0.00	12.9	0.64
	357-376	20	166	16.4	6.22	1.00	2.17	5.0	9.69, 0.00, 3.70	16.4	0.67

Summary of Optimal TLS Group Partition using 8 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 8 Chain Segments (overall rmsd_b=2.00 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>
	3-15	13	92	14.8	3.80	1.00	0.89	9.2	12.26, 2.67, 0.00	14.8	0.75
	16-56	41	350	11.4	4.82	1.00	2.06	4.8	8.27, 0.53, 3.71	11.4	0.65
	57-70	14	114	16.0	7.24	1.00	2.12	6.6	32.74, 0.00, 4.35	16.0	0.61
	71-219	149	1165	9.8	3.37	1.00	1.95	5.2	2.05, 0.14, 0.75	9.8	0.72
	220-239	20	140	21.5	5.94	1.00	1.52	10.4	19.56, 2.40, 0.00	21.5	0.71
	240-287	48	388	21.2	8.27	1.00	2.91	8.6	0.00, 4.56, 4.11	21.2	0.62
	288-356	69	562	12.6	5.04	1.00	2.17	5.7	2.23, 1.41, 0.00	12.6	0.65
	357-376	20	166	16.4	6.22	1.00	2.17	5.0	9.69, 0.00, 3.70	16.4	0.67

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=1.92 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>
	3-15	13	92	14.8	3.80	1.00	0.89	9.2	12.26, 2.67, 0.00	14.8	0.75
	16-56	41	350	11.4	4.82	1.00	2.06	4.8	8.27, 0.53, 3.71	11.4	0.65
	57-70	14	114	16.0	7.24	1.00	2.12	6.6	32.74, 0.00, 4.35	16.0	0.61
	71-219	149	1165	9.8	3.37	1.00	1.95	5.2	2.05, 0.14, 0.75	9.8	0.72
	220-238	19	135	21.3	6.00	1.00	1.49	10.2	20.73, 2.36, 0.00	21.3	0.71
	239-288	50	405	21.1	8.13	1.00	2.87	8.6	0.00, 4.52, 4.05	21.1	0.62
	289-316	28	222	16.3	4.77	1.00	2.02	9.9	6.55, 1.73, 0.00	16.3	0.72
	317-356	40	328	9.9	3.32	1.00	1.72	5.2	5.89, 1.63, 0.00	9.9	0.71
	357-376	20	166	16.4	6.22	1.00	2.17	5.0	9.69, 0.00, 3.70	16.4	0.67

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=1.86 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>
	3-15	13	92	14.8	3.80	1.00	0.89	9.2	12.26, 2.67, 0.00	14.8	0.75
	16-56	41	350	11.4	4.82	1.00	2.06	4.8	8.27, 0.53, 3.71	11.4	0.65
	57-70	14	114	16.0	7.24	1.00	2.12	6.6	32.74, 0.00, 4.35	16.0	0.61
	71-186	116	927	10.2	3.45	1.00	1.89	6.1	2.29, 0.00, 1.08	10.2	0.71
	187-220	34	242	8.6	2.73	1.00	1.48	5.8	0.00, 3.30, 2.05	8.6	0.74
	221-238	18	131	21.5	5.96	1.00	1.48	9.9	20.84, 2.30, 0.00	21.5	0.71
	239-288	50	405	21.1	8.13	1.00	2.87	8.6	0.00, 4.52, 4.05	21.1	0.62
	289-316	28	222	16.3	4.77	1.00	2.02	9.9	6.55, 1.73, 0.00	16.3	0.72
	317-356	40	328	9.9	3.32	1.00	1.72	5.2	5.89, 1.63, 0.00	9.9	0.71
	357-376	20	166	16.4	6.22	1.00	2.17	5.0	9.69, 0.00, 3.70	16.4	0.67

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=1.81 and residual=0.20)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	3-15	13	92	14.8	3.80	1.00	0.89	9.2	12.26, 2.67, 0.00	14.8	0.75
	16-56	41	350	11.4	4.82	1.00	2.06	4.8	8.27, 0.53, 3.71	11.4	0.65
	57-70	14	114	16.0	7.24	1.00	2.12	6.6	32.74, 0.00, 4.35	16.0	0.61
	71-142	72	575	9.2	2.69	1.00	1.62	5.6	0.09, 1.95, 1.17	9.2	0.77
	143-187	45	360	11.9	3.90	1.00	1.99	5.9	0.00, 3.57, 2.82	11.9	0.70
	188-219	32	230	8.3	2.33	1.00	1.28	5.0	3.09, 1.01, 0.00	8.3	0.77
	220-238	19	135	21.3	6.00	1.00	1.49	10.2	20.73, 2.36, 0.00	21.3	0.71
	239-288	50	405	21.1	8.13	1.00	2.87	8.6	0.00, 4.52, 4.05	21.1	0.62
	289-316	28	222	16.3	4.77	1.00	2.02	9.9	6.55, 1.73, 0.00	16.3	0.72
	317-356	40	328	9.9	3.32	1.00	1.72	5.2	5.89, 1.63, 0.00	9.9	0.71
	357-376	20	166	16.4	6.22	1.00	2.17	5.0	9.69, 0.00, 3.70	16.4	0.67

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=0.18)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	3-15	13	92	14.8	3.80	1.00	0.89	9.2	12.26, 2.67, 0.00	14.8	0.75
	16-56	41	350	11.4	4.82	1.00	2.06	4.8	8.27, 0.53, 3.71	11.4	0.65
	57-70	14	114	16.0	7.24	1.00	2.12	6.6	32.74, 0.00, 4.35	16.0	0.61
	71-138	68	544	8.8	2.25	1.00	1.46	6.3	0.00, 1.80, 1.04	8.8	0.80
	139-143	5	40	15.9	4.77	1.00	1.71	9.8	33.20, 0.00, 7.25	15.9	0.73
	144-187	44	351	11.7	3.59	1.00	1.76	6.4	0.00, 3.44, 1.94	11.7	0.71
	188-219	32	230	8.3	2.33	1.00	1.28	5.0	3.09, 1.01, 0.00	8.3	0.77
	220-238	19	135	21.3	6.00	1.00	1.49	10.2	20.73, 2.36, 0.00	21.3	0.71
	239-288	50	405	21.1	8.13	1.00	2.87	8.6	0.00, 4.52, 4.05	21.1	0.62
	289-316	28	222	16.3	4.77	1.00	2.02	9.9	6.55, 1.73, 0.00	16.3	0.72
	317-356	40	328	9.9	3.32	1.00	1.72	5.2	5.89, 1.63, 0.00	9.9	0.71
	357-376	20	166	16.4	6.22	1.00	2.17	5.0	9.69, 0.00, 3.70	16.4	0.67

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=1.70 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>
	3-15	13	92	14.8	3.80	1.00	0.89	9.2	12.26, 2.67, 0.00	14.8	0.75
	16-56	41	350	11.4	4.82	1.00	2.06	4.8	8.27, 0.53, 3.71	11.4	0.65
	57-70	14	114	16.0	7.24	1.00	2.12	6.6	32.74, 0.00, 4.35	16.0	0.61
	71-138	68	544	8.8	2.25	1.00	1.46	6.3	0.00, 1.80, 1.04	8.8	0.80
	139-143	5	40	15.9	4.77	1.00	1.71	9.8	33.20, 0.00, 7.25	15.9	0.73
	144-187	44	351	11.7	3.59	1.00	1.76	6.4	0.00, 3.44, 1.94	11.7	0.71
	188-219	32	230	8.3	2.33	1.00	1.28	5.0	3.09, 1.01, 0.00	8.3	0.77
	220-239	20	140	21.5	5.94	1.00	1.52	10.4	19.56, 2.40, 0.00	21.5	0.71
	240-251	12	101	31.7	4.14	1.00	1.47	8.2	21.78, 0.97, 0.00	31.7	0.85
	252-288	37	299	17.5	5.68	1.00	2.63	8.5	0.00, 8.40, 4.54	17.5	0.72
	289-316	28	222	16.3	4.77	1.00	2.02	9.9	6.55, 1.73, 0.00	16.3	0.72
	317-356	40	328	9.9	3.32	1.00	1.72	5.2	5.89, 1.63, 0.00	9.9	0.71
	357-376	20	166	16.4	6.22	1.00	2.17	5.0	9.69, 0.00, 3.70	16.4	0.67

Summary of Optimal TLS Group Partition using 14 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 14 Chain Segments (overall rmsd_b=1.65 and residual=0.16)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	3-15	13	92	14.8	3.80	1.00	0.89	9.2	12.26, 2.67, 0.00	14.8	0.75
	16-56	41	350	11.4	4.82	1.00	2.06	4.8	8.27, 0.53, 3.71	11.4	0.65
	57-70	14	114	16.0	7.24	1.00	2.12	6.6	32.74, 0.00, 4.35	16.0	0.61
	71-138	68	544	8.8	2.25	1.00	1.46	6.3	0.00, 1.80, 1.04	8.8	0.80
	139-143	5	40	15.9	4.77	1.00	1.71	9.8	33.20, 0.00, 7.25	15.9	0.73
	144-187	44	351	11.7	3.59	1.00	1.76	6.4	0.00, 3.44, 1.94	11.7	0.71
	188-219	32	230	8.3	2.33	1.00	1.28	5.0	3.09, 1.01, 0.00	8.3	0.77
	220-239	20	140	21.5	5.94	1.00	1.52	10.4	19.56, 2.40, 0.00	21.5	0.71
	240-251	12	101	31.7	4.14	1.00	1.47	8.2	21.78, 0.97, 0.00	31.7	0.85
	252-264	13	113	17.6	5.50	1.00	2.06	11.3	0.00, 5.32, 19.21	17.6	0.71
	265-288	24	186	17.4	5.79	1.00	2.17	11.1	9.76, 0.00, 3.25	17.4	0.70
	289-316	28	222	16.3	4.77	1.00	2.02	9.9	6.55, 1.73, 0.00	16.3	0.72
	317-356	40	328	9.9	3.32	1.00	1.72	5.2	5.89, 1.63, 0.00	9.9	0.71
	357-376	20	166	16.4	6.22	1.00	2.17	5.0	9.69, 0.00, 3.70	16.4	0.67

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=1.61 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>
	3-15	13	92	14.8	3.80	1.00	0.89	9.2	12.26, 2.67, 0.00	14.8	0.75
	16-27	12	96	15.0	5.77	1.00	1.95	7.9	23.47, 4.58, 0.00	15.0	0.66
	28-56	29	254	10.1	3.59	1.00	1.63	6.3	7.34, 0.00, 3.08	10.1	0.69
	57-70	14	114	16.0	7.24	1.00	2.12	6.6	32.74, 0.00, 4.35	16.0	0.61
	71-138	68	544	8.8	2.25	1.00	1.46	6.3	0.00, 1.80, 1.04	8.8	0.80
	139-143	5	40	15.9	4.77	1.00	1.71	9.8	33.20, 0.00, 7.25	15.9	0.73
	144-187	44	351	11.7	3.59	1.00	1.76	6.4	0.00, 3.44, 1.94	11.7	0.71
	188-219	32	230	8.3	2.33	1.00	1.28	5.0	3.09, 1.01, 0.00	8.3	0.77
	220-239	20	140	21.5	5.94	1.00	1.52	10.4	19.56, 2.40, 0.00	21.5	0.71
	240-251	12	101	31.7	4.14	1.00	1.47	8.2	21.78, 0.97, 0.00	31.7	0.85
	252-264	13	113	17.6	5.50	1.00	2.06	11.3	0.00, 5.32, 19.21	17.6	0.71
	265-288	24	186	17.4	5.79	1.00	2.17	11.1	9.76, 0.00, 3.25	17.4	0.70
	289-316	28	222	16.3	4.77	1.00	2.02	9.9	6.55, 1.73, 0.00	16.3	0.72
	317-356	40	328	9.9	3.32	1.00	1.72	5.2	5.89, 1.63, 0.00	9.9	0.71
	357-376	20	166	16.4	6.22	1.00	2.17	5.0	9.69, 0.00, 3.70	16.4	0.67

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=1.56 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>
	3-15	13	92	14.8	3.80	1.00	0.89	9.2	12.26, 2.67, 0.00	14.8	0.75
	16-26	11	88	15.4	5.81	1.00	1.97	8.5	27.16, 3.90, 0.00	15.4	0.66
	27-54	28	247	10.0	3.64	1.00	1.62	6.1	7.44, 3.46, 0.00	10.0	0.68
	55-68	14	113	15.2	6.71	1.00	1.89	7.8	20.47, 4.20, 0.00	15.2	0.59
	69-79	11	89	10.7	4.93	1.00	1.98	7.7	16.43, 0.00, 0.00	10.7	0.67
	80-138	59	471	8.8	2.35	1.00	1.42	6.0	0.00, 1.81, 1.66	8.8	0.78
	139-143	5	40	15.9	4.77	1.00	1.71	9.8	33.20, 0.00, 7.25	15.9	0.73
	144-187	44	351	11.7	3.59	1.00	1.76	6.4	0.00, 3.44, 1.94	11.7	0.71
	188-219	32	230	8.3	2.33	1.00	1.28	5.0	3.09, 1.01, 0.00	8.3	0.77
	220-239	20	140	21.5	5.94	1.00	1.52	10.4	19.56, 2.40, 0.00	21.5	0.71
	240-251	12	101	31.7	4.14	1.00	1.47	8.2	21.78, 0.97, 0.00	31.7	0.85
	252-264	13	113	17.6	5.50	1.00	2.06	11.3	0.00, 5.32, 19.21	17.6	0.71
	265-288	24	186	17.4	5.79	1.00	2.17	11.1	9.76, 0.00, 3.25	17.4	0.70
	289-316	28	222	16.3	4.77	1.00	2.02	9.9	6.55, 1.73, 0.00	16.3	0.72
	317-356	40	328	9.9	3.32	1.00	1.72	5.2	5.89, 1.63, 0.00	9.9	0.71
	357-376	20	166	16.4	6.22	1.00	2.17	5.0	9.69, 0.00, 3.70	16.4	0.67

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=1.51 and residual=0.14)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	3-15	13	92	14.8	3.80	1.00	0.89	9.2	12.26, 2.67, 0.00	14.8	0.75
	16-26	11	88	15.4	5.81	1.00	1.97	8.5	27.16, 3.90, 0.00	15.4	0.66
	27-54	28	247	10.0	3.64	1.00	1.62	6.1	7.44, 3.46, 0.00	10.0	0.68
	55-68	14	113	15.2	6.71	1.00	1.89	7.8	20.47, 4.20, 0.00	15.2	0.59
	69-79	11	89	10.7	4.93	1.00	1.98	7.7	16.43, 0.00, 0.00	10.7	0.67
	80-138	59	471	8.8	2.35	1.00	1.42	6.0	0.00, 1.81, 1.66	8.8	0.78
	139-143	5	40	15.9	4.77	1.00	1.71	9.8	33.20, 0.00, 7.25	15.9	0.73
	144-164	21	173	12.2	3.54	1.00	1.22	7.5	8.89, 0.00, 2.07	12.2	0.71
	165-187	23	178	11.2	3.58	1.00	1.33	6.8	10.88, 0.00, 2.22	11.2	0.72
	188-219	32	230	8.3	2.33	1.00	1.28	5.0	3.09, 1.01, 0.00	8.3	0.77
	220-239	20	140	21.5	5.94	1.00	1.52	10.4	19.56, 2.40, 0.00	21.5	0.71
	240-251	12	101	31.7	4.14	1.00	1.47	8.2	21.78, 0.97, 0.00	31.7	0.85
	252-264	13	113	17.6	5.50	1.00	2.06	11.3	0.00, 5.32, 19.21	17.6	0.71
	265-288	24	186	17.4	5.79	1.00	2.17	11.1	9.76, 0.00, 3.25	17.4	0.70
	289-316	28	222	16.3	4.77	1.00	2.02	9.9	6.55, 1.73, 0.00	16.3	0.72
	317-356	40	328	9.9	3.32	1.00	1.72	5.2	5.89, 1.63, 0.00	9.9	0.71
	357-376	20	166	16.4	6.22	1.00	2.17	5.0	9.69, 0.00, 3.70	16.4	0.67

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=1.47 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>
	3-15	13	92	14.8	3.80	1.00	0.89	9.2	12.26, 2.67, 0.00	14.8	0.75
	16-26	11	88	15.4	5.81	1.00	1.97	8.5	27.16, 3.90, 0.00	15.4	0.66
	27-54	28	247	10.0	3.64	1.00	1.62	6.1	7.44, 3.46, 0.00	10.0	0.68
	55-68	14	113	15.2	6.71	1.00	1.89	7.8	20.47, 4.20, 0.00	15.2	0.59
	69-79	11	89	10.7	4.93	1.00	1.98	7.7	16.43, 0.00, 0.00	10.7	0.67
	80-138	59	471	8.8	2.35	1.00	1.42	6.0	0.00, 1.81, 1.66	8.8	0.78
	139-143	5	40	15.9	4.77	1.00	1.71	9.8	33.20, 0.00, 7.25	15.9	0.73
	144-164	21	173	12.2	3.54	1.00	1.22	7.5	8.89, 0.00, 2.07	12.2	0.71
	165-187	23	178	11.2	3.58	1.00	1.33	6.8	10.88, 0.00, 2.22	11.2	0.72
	188-219	32	230	8.3	2.33	1.00	1.28	5.0	3.09, 1.01, 0.00	8.3	0.77
	220-239	20	140	21.5	5.94	1.00	1.52	10.4	19.56, 2.40, 0.00	21.5	0.71
	240-251	12	101	31.7	4.14	1.00	1.47	8.2	21.78, 0.97, 0.00	31.7	0.85
	252-264	13	113	17.6	5.50	1.00	2.06	11.3	0.00, 5.32, 19.21	17.6	0.71
	265-288	24	186	17.4	5.79	1.00	2.17	11.1	9.76, 0.00, 3.25	17.4	0.70
	289-316	28	222	16.3	4.77	1.00	2.02	9.9	6.55, 1.73, 0.00	16.3	0.72
	317-356	40	328	9.9	3.32	1.00	1.72	5.2	5.89, 1.63, 0.00	9.9	0.71
	357-364	8	59	15.9	6.96	1.00	1.37	10.5	18.89, 1.25, 0.00	15.9	0.66
	365-376	12	107	16.7	5.76	1.00	1.77	6.8	0.00, 8.42, 12.09	16.7	0.68

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=1.44 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>
	3-15	13	92	14.8	3.80	1.00	0.89	9.2	12.26, 2.67, 0.00	14.8	0.75
	16-26	11	88	15.4	5.81	1.00	1.97	8.5	27.16, 3.90, 0.00	15.4	0.66
	27-54	28	247	10.0	3.64	1.00	1.62	6.1	7.44, 3.46, 0.00	10.0	0.68
	55-68	14	113	15.2	6.71	1.00	1.89	7.8	20.47, 4.20, 0.00	15.2	0.59
	69-79	11	89	10.7	4.93	1.00	1.98	7.7	16.43, 0.00, 0.00	10.7	0.67
	80-138	59	471	8.8	2.35	1.00	1.42	6.0	0.00, 1.81, 1.66	8.8	0.78
	139-143	5	40	15.9	4.77	1.00	1.71	9.8	33.20, 0.00, 7.25	15.9	0.73
	144-164	21	173	12.2	3.54	1.00	1.22	7.5	8.89, 0.00, 2.07	12.2	0.71
	165-187	23	178	11.2	3.58	1.00	1.33	6.8	10.88, 0.00, 2.22	11.2	0.72
	188-219	32	230	8.3	2.33	1.00	1.28	5.0	3.09, 1.01, 0.00	8.3	0.77
	220-239	20	140	21.5	5.94	1.00	1.52	10.4	19.56, 2.40, 0.00	21.5	0.71
	240-251	12	101	31.7	4.14	1.00	1.47	8.2	21.78, 0.97, 0.00	31.7	0.85
	252-264	13	113	17.6	5.50	1.00	2.06	11.3	0.00, 5.32, 19.21	17.6	0.71
	265-288	24	186	17.4	5.79	1.00	2.17	11.1	9.76, 0.00, 3.25	17.4	0.70
	289-316	28	222	16.3	4.77	1.00	2.02	9.9	6.55, 1.73, 0.00	16.3	0.72
	317-349	33	268	9.2	2.79	1.00	1.26	5.8	5.47, 1.49, 0.00	9.2	0.74
	350-356	7	60	12.9	3.80	1.00	1.85	7.8	20.78, 5.57, 0.00	12.9	0.76
	357-364	8	59	15.9	6.96	1.00	1.37	10.5	18.89, 1.25, 0.00	15.9	0.66
	365-376	12	107	16.7	5.76	1.00	1.77	6.8	0.00, 8.42, 12.09	16.7	0.68

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=1.40 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>
	3-15	13	92	14.8	3.80	1.00	0.89	9.2	12.26, 2.67, 0.00	14.8	0.75
	16-26	11	88	15.4	5.81	1.00	1.97	8.5	27.16, 3.90, 0.00	15.4	0.66
	27-54	28	247	10.0	3.64	1.00	1.62	6.1	7.44, 3.46, 0.00	10.0	0.68
	55-68	14	113	15.2	6.71	1.00	1.89	7.8	20.47, 4.20, 0.00	15.2	0.59
	69-79	11	89	10.7	4.93	1.00	1.98	7.7	16.43, 0.00, 0.00	10.7	0.67
	80-138	59	471	8.8	2.35	1.00	1.42	6.0	0.00, 1.81, 1.66	8.8	0.78
	139-143	5	40	15.9	4.77	1.00	1.71	9.8	33.20, 0.00, 7.25	15.9	0.73
	144-164	21	173	12.2	3.54	1.00	1.22	7.5	8.89, 0.00, 2.07	12.2	0.71
	165-187	23	178	11.2	3.58	1.00	1.33	6.8	10.88, 0.00, 2.22	11.2	0.72
	188-219	32	230	8.3	2.33	1.00	1.28	5.0	3.09, 1.01, 0.00	8.3	0.77
	220-239	20	140	21.5	5.94	1.00	1.52	10.4	19.56, 2.40, 0.00	21.5	0.71
	240-251	12	101	31.7	4.14	1.00	1.47	8.2	21.78, 0.97, 0.00	31.7	0.85
	252-262	11	86	17.7	6.08	1.00	1.85	11.1	25.17, 0.00, 3.44	17.7	0.68
	263-275	13	105	13.5	3.47	1.00	1.41	9.6	15.02, 1.33, 0.00	13.5	0.75
	276-288	13	108	21.1	4.47	1.00	1.57	14.7	16.40, 0.00, 6.24	21.1	0.80
	289-316	28	222	16.3	4.77	1.00	2.02	9.9	6.55, 1.73, 0.00	16.3	0.72
	317-349	33	268	9.2	2.79	1.00	1.26	5.8	5.47, 1.49, 0.00	9.2	0.74
	350-356	7	60	12.9	3.80	1.00	1.85	7.8	20.78, 5.57, 0.00	12.9	0.76
	357-364	8	59	15.9	6.96	1.00	1.37	10.5	18.89, 1.25, 0.00	15.9	0.66
	365-376	12	107	16.7	5.76	1.00	1.77	6.8	0.00, 8.42, 12.09	16.7	0.68

26 Mar 2010

JobID: TLSMD7773_LsBYSdhs

TLSMD Version 1.4.1 Released 11 February 2010