1VJU: Chain A TLS Analysis

26 Mar 2010

JobID: TLSMD7779_PGZeKVnR

TLSMD Version 1.4.1

1VJU: 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=5.76 and residual=1.55)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	8-309	291	2327	17.1	7.95	1.00	5.76	8.1	3.51, 0.48, 1.35	17.1	0.70

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=5.14 and residual=1.23)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	8-229	211	1662	17.2	7.85	1.00	5.18	7.6	0.43, 1.76, 3.04	17.2	0.68
	230-309	80	665	17.0	8.20	1.00	5.36	6.1	0.00, 5.11, 3.25	17.0	0.68

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=4.93 and residual=1.13)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	8-225	207	1625	17.2	7.85	1.00	5.11	7.6	0.38, 1.80, 3.02	17.2	0.68
	226-287	62	514	16.5	8.10	1.00	5.27	7.0	0.00, 3.63, 4.91	16.5	0.66
	288-309	22	188	18.5	8.25	1.00	4.54	6.9	13.41, 5.00, 0.83	18.5	0.64

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=4.71 and residual=1.03)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	8-37	30	226	18.9	7.82	1.00	3.13	9.2	36.72, 3.03, 0.00	18.9	0.67
	38-129	81	597	19.3	9.31	1.00	5.35	8.4	7.65, 2.18, 0.00	19.3	0.62
	130-235	106	889	15.3	5.90	1.00	4.37	8.7	0.00, 4.24, 1.55	15.3	0.74
	236-309	74	615	17.1	8.48	1.00	5.43	7.0	0.00, 5.82, 3.27	17.1	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=4.47 and residual=0.93)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	8-37	30	226	18.9	7.82	1.00	3.13	9.2	36.72, 3.03, 0.00	18.9	0.67
	38-116	68	489	18.0	7.70	1.00	5.02	9.1	7.49, 1.90, 0.00	18.0	0.66
	117-135	19	165	22.4	11.57	1.00	3.33	7.3	39.18, 7.19, 0.00	22.4	0.55
	136-235	100	832	15.1	5.91	1.00	4.37	8.3	4.58, 0.00, 1.65	15.1	0.74
	236-309	74	615	17.1	8.48	1.00	5.43	7.0	0.00, 5.82, 3.27	17.1	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=4.26 and residual=0.85)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	8-37	30	226	18.9	7.82	1.00	3.13	9.2	36.72, 3.03, 0.00	18.9	0.67
	38-116	68	489	18.0	7.70	1.00	5.02	9.1	7.49, 1.90, 0.00	18.0	0.66
	117-135	19	165	22.4	11.57	1.00	3.33	7.3	39.18, 7.19, 0.00	22.4	0.55
	136-225	90	745	15.0	5.92	1.00	4.20	8.2	0.00, 5.65, 1.79	15.0	0.72
	226-287	62	514	16.5	8.10	1.00	5.27	7.0	0.00, 3.63, 4.91	16.5	0.66
	288-309	22	188	18.5	8.25	1.00	4.54	6.9	13.41, 5.00, 0.83	18.5	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=4.04 and residual=0.76)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	8-37	30	226	18.9	7.82	1.00	3.13	9.2	36.72, 3.03, 0.00	18.9	0.67
	38-116	68	489	18.0	7.70	1.00	5.02	9.1	7.49, 1.90, 0.00	18.0	0.66
	117-135	19	165	22.4	11.57	1.00	3.33	7.3	39.18, 7.19, 0.00	22.4	0.55
	136-225	90	745	15.0	5.92	1.00	4.20	8.2	0.00, 5.65, 1.79	15.0	0.72
	226-267	42	346	17.0	8.62	1.00	4.45	5.2	8.82, 0.00, 4.34	17.0	0.60
	268-289	22	184	16.2	7.49	1.00	4.66	7.1	20.97, 0.00, 3.26	16.2	0.69
	290-309	20	172	18.1	7.88	1.00	3.56	7.1	16.44, 0.00, 5.68	18.1	0.64

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=3.86 and residual=0.70)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	8-37	30	226	18.9	7.82	1.00	3.13	9.2	36.72, 3.03, 0.00	18.9	0.67
	38-68	31	216	20.4	6.77	1.00	3.58	11.2	21.29, 3.59, 0.00	20.4	0.71
	69-116	37	273	16.1	7.87	1.00	5.12	9.1	13.13, 0.00, 1.30	16.1	0.65
	117-135	19	165	22.4	11.57	1.00	3.33	7.3	39.18, 7.19, 0.00	22.4	0.55
	136-225	90	745	15.0	5.92	1.00	4.20	8.2	0.00, 5.65, 1.79	15.0	0.72
	226-267	42	346	17.0	8.62	1.00	4.45	5.2	8.82, 0.00, 4.34	17.0	0.60
	268-289	22	184	16.2	7.49	1.00	4.66	7.1	20.97, 0.00, 3.26	16.2	0.69
	290-309	20	172	18.1	7.88	1.00	3.56	7.1	16.44, 0.00, 5.68	18.1	0.64

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=3.65 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>
	8-37	30	226	18.9	7.82	1.00	3.13	9.2	36.72, 3.03, 0.00	18.9	0.67
	38-69	32	223	20.1	6.80	1.00	3.55	10.9	20.41, 3.66, 0.00	20.1	0.71
	70-96	16	122	21.6	8.42	1.00	4.67	15.3	0.00, 45.67, 0.00	21.6	0.71
	97-116	20	144	11.6	3.21	1.00	2.63	9.0	15.22, 0.84, 0.00	11.6	0.84
	117-135	19	165	22.4	11.57	1.00	3.33	7.3	39.18, 7.19, 0.00	22.4	0.55
	136-225	90	745	15.0	5.92	1.00	4.20	8.2	0.00, 5.65, 1.79	15.0	0.72
	226-267	42	346	17.0	8.62	1.00	4.45	5.2	8.82, 0.00, 4.34	17.0	0.60
	268-289	22	184	16.2	7.49	1.00	4.66	7.1	20.97, 0.00, 3.26	16.2	0.69
	290-309	20	172	18.1	7.88	1.00	3.56	7.1	16.44, 0.00, 5.68	18.1	0.64

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=3.52 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>
	8-37	30	226	18.9	7.82	1.00	3.13	9.2	36.72, 3.03, 0.00	18.9	0.67
	38-69	32	223	20.1	6.80	1.00	3.55	10.9	20.41, 3.66, 0.00	20.1	0.71
	70-96	16	122	21.6	8.42	1.00	4.67	15.3	0.00, 45.67, 0.00	21.6	0.71
	97-116	20	144	11.6	3.21	1.00	2.63	9.0	15.22, 0.84, 0.00	11.6	0.84
	117-135	19	165	22.4	11.57	1.00	3.33	7.3	39.18, 7.19, 0.00	22.4	0.55
	136-225	90	745	15.0	5.92	1.00	4.20	8.2	0.00, 5.65, 1.79	15.0	0.72
	226-250	25	224	14.9	7.09	1.00	3.64	4.9	0.00, 5.60, 13.59	14.9	0.61
	251-267	17	122	20.9	9.73	1.00	3.87	11.2	24.41, 6.71, 0.00	20.9	0.60
	268-289	22	184	16.2	7.49	1.00	4.66	7.1	20.97, 0.00, 3.26	16.2	0.69
	290-309	20	172	18.1	7.88	1.00	3.56	7.1	16.44, 0.00, 5.68	18.1	0.64

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=3.39 and residual=0.54)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	8-37	30	226	18.9	7.82	1.00	3.13	9.2	36.72, 3.03, 0.00	18.9	0.67
	38-69	32	223	20.1	6.80	1.00	3.55	10.9	20.41, 3.66, 0.00	20.1	0.71
	70-96	16	122	21.6	8.42	1.00	4.67	15.3	0.00, 45.67, 0.00	21.6	0.71
	97-116	20	144	11.6	3.21	1.00	2.63	9.0	15.22, 0.84, 0.00	11.6	0.84
	117-137	21	173	21.8	11.57	1.00	3.39	6.5	39.95, 6.19, 0.00	21.8	0.54
	138-186	49	421	15.0	6.54	1.00	4.39	8.2	0.00, 1.27, 7.94	15.0	0.66
	187-227	41	331	15.0	4.97	1.00	3.38	7.8	6.88, 0.00, 1.75	15.0	0.74
	228-250	23	209	14.9	7.28	1.00	3.59	5.5	14.40, 0.00, 5.15	14.9	0.61
	251-267	17	122	20.9	9.73	1.00	3.87	11.2	24.41, 6.71, 0.00	20.9	0.60
	268-289	22	184	16.2	7.49	1.00	4.66	7.1	20.97, 0.00, 3.26	16.2	0.69
	290-309	20	172	18.1	7.88	1.00	3.56	7.1	16.44, 0.00, 5.68	18.1	0.64

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=3.25 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>
	8-37	30	226	18.9	7.82	1.00	3.13	9.2	36.72, 3.03, 0.00	18.9	0.67
	38-69	32	223	20.1	6.80	1.00	3.55	10.9	20.41, 3.66, 0.00	20.1	0.71
	70-96	16	122	21.6	8.42	1.00	4.67	15.3	0.00, 45.67, 0.00	21.6	0.71
	97-116	20	144	11.6	3.21	1.00	2.63	9.0	15.22, 0.84, 0.00	11.6	0.84
	117-130	14	115	25.0	12.65	1.00	2.94	7.6	49.79, 8.06, 0.00	25.0	0.55
	131-147	17	144	13.4	4.12	1.00	1.76	10.0	6.89, 0.64, 0.00	13.4	0.72
	148-163	16	131	17.2	9.08	1.00	3.40	10.3	37.89, 0.00, 4.35	17.2	0.57
	164-197	34	287	14.3	4.73	1.00	3.32	10.3	10.02, 0.00, 1.30	14.3	0.77
	198-227	30	248	15.7	5.16	1.00	3.02	9.2	14.27, 0.00, 2.20	15.7	0.75
	228-267	40	331	17.1	8.77	1.00	4.45	5.5	9.71, 0.00, 4.14	17.1	0.60
	268-289	22	184	16.2	7.49	1.00	4.66	7.1	20.97, 0.00, 3.26	16.2	0.69
	290-309	20	172	18.1	7.88	1.00	3.56	7.1	16.44, 0.00, 5.68	18.1	0.64

Summary of Optimal TLS Group Partition using 13 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 13 Chain Segments (overall rmsd_b=3.11 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>
	8-37	30	226	18.9	7.82	1.00	3.13	9.2	36.72, 3.03, 0.00	18.9	0.67
	38-69	32	223	20.1	6.80	1.00	3.55	10.9	20.41, 3.66, 0.00	20.1	0.71
	70-96	16	122	21.6	8.42	1.00	4.67	15.3	0.00, 45.67, 0.00	21.6	0.71
	97-116	20	144	11.6	3.21	1.00	2.63	9.0	15.22, 0.84, 0.00	11.6	0.84
	117-130	14	115	25.0	12.65	1.00	2.94	7.6	49.79, 8.06, 0.00	25.0	0.55
	131-147	17	144	13.4	4.12	1.00	1.76	10.0	6.89, 0.64, 0.00	13.4	0.72
	148-163	16	131	17.2	9.08	1.00	3.40	10.3	37.89, 0.00, 4.35	17.2	0.57
	164-197	34	287	14.3	4.73	1.00	3.32	10.3	10.02, 0.00, 1.30	14.3	0.77
	198-227	30	248	15.7	5.16	1.00	3.02	9.2	14.27, 0.00, 2.20	15.7	0.75
	228-250	23	209	14.9	7.28	1.00	3.59	5.5	14.40, 0.00, 5.15	14.9	0.61
	251-267	17	122	20.9	9.73	1.00	3.87	11.2	24.41, 6.71, 0.00	20.9	0.60
	268-289	22	184	16.2	7.49	1.00	4.66	7.1	20.97, 0.00, 3.26	16.2	0.69
	290-309	20	172	18.1	7.88	1.00	3.56	7.1	16.44, 0.00, 5.68	18.1	0.64

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=3.01 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>
	8-37	30	226	18.9	7.82	1.00	3.13	9.2	36.72, 3.03, 0.00	18.9	0.67
	38-69	32	223	20.1	6.80	1.00	3.55	10.9	20.41, 3.66, 0.00	20.1	0.71
	70-96	16	122	21.6	8.42	1.00	4.67	15.3	0.00, 45.67, 0.00	21.6	0.71
	97-116	20	144	11.6	3.21	1.00	2.63	9.0	15.22, 0.84, 0.00	11.6	0.84
	117-130	14	115	25.0	12.65	1.00	2.94	7.6	49.79, 8.06, 0.00	25.0	0.55
	131-147	17	144	13.4	4.12	1.00	1.76	10.0	6.89, 0.64, 0.00	13.4	0.72
	148-163	16	131	17.2	9.08	1.00	3.40	10.3	37.89, 0.00, 4.35	17.2	0.57
	164-188	25	218	14.9	5.12	1.00	3.23	10.3	18.85, 1.13, 0.00	14.9	0.75
	189-205	17	143	16.4	6.21	1.00	3.07	7.9	23.77, 1.43, 0.00	16.4	0.68
	206-227	22	174	13.8	2.96	1.00	1.65	11.4	13.62, 0.78, 0.00	13.8	0.82
	228-250	23	209	14.9	7.28	1.00	3.59	5.5	14.40, 0.00, 5.15	14.9	0.61
	251-267	17	122	20.9	9.73	1.00	3.87	11.2	24.41, 6.71, 0.00	20.9	0.60
	268-289	22	184	16.2	7.49	1.00	4.66	7.1	20.97, 0.00, 3.26	16.2	0.69
	290-309	20	172	18.1	7.88	1.00	3.56	7.1	16.44, 0.00, 5.68	18.1	0.64

Summary of Optimal TLS Group Partition using 15 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 15 Chain Segments (overall rmsd_b=2.92 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>
	8-26	19	146	18.6	7.95	1.00	2.49	9.2	32.37, 0.00, 1.21	18.6	0.65
	27-55	29	205	21.3	7.16	1.00	3.78	12.0	20.34, 4.07, 0.00	21.3	0.74
	56-69	14	98	17.3	5.81	1.00	3.04	10.1	19.43, 0.00, 1.57	17.3	0.71
	70-96	16	122	21.6	8.42	1.00	4.67	15.3	0.00, 45.67, 0.00	21.6	0.71
	97-116	20	144	11.6	3.21	1.00	2.63	9.0	15.22, 0.84, 0.00	11.6	0.84
	117-130	14	115	25.0	12.65	1.00	2.94	7.6	49.79, 8.06, 0.00	25.0	0.55
	131-147	17	144	13.4	4.12	1.00	1.76	10.0	6.89, 0.64, 0.00	13.4	0.72
	148-163	16	131	17.2	9.08	1.00	3.40	10.3	37.89, 0.00, 4.35	17.2	0.57
	164-188	25	218	14.9	5.12	1.00	3.23	10.3	18.85, 1.13, 0.00	14.9	0.75
	189-205	17	143	16.4	6.21	1.00	3.07	7.9	23.77, 1.43, 0.00	16.4	0.68
	206-227	22	174	13.8	2.96	1.00	1.65	11.4	13.62, 0.78, 0.00	13.8	0.82
	228-250	23	209	14.9	7.28	1.00	3.59	5.5	14.40, 0.00, 5.15	14.9	0.61
	251-267	17	122	20.9	9.73	1.00	3.87	11.2	24.41, 6.71, 0.00	20.9	0.60
	268-289	22	184	16.2	7.49	1.00	4.66	7.1	20.97, 0.00, 3.26	16.2	0.69
	290-309	20	172	18.1	7.88	1.00	3.56	7.1	16.44, 0.00, 5.68	18.1	0.64

Summary of Optimal TLS Group Partition using 16 Groups
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Analysis of TLS Group 16 Chain Segments (overall rmsd_b=2.83 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>
	8-26	19	146	18.6	7.95	1.00	2.49	9.2	32.37, 0.00, 1.21	18.6	0.65
	27-55	29	205	21.3	7.16	1.00	3.78	12.0	20.34, 4.07, 0.00	21.3	0.74
	56-69	14	98	17.3	5.81	1.00	3.04	10.1	19.43, 0.00, 1.57	17.3	0.71
	70-96	16	122	21.6	8.42	1.00	4.67	15.3	0.00, 45.67, 0.00	21.6	0.71
	97-116	20	144	11.6	3.21	1.00	2.63	9.0	15.22, 0.84, 0.00	11.6	0.84
	117-130	14	115	25.0	12.65	1.00	2.94	7.6	49.79, 8.06, 0.00	25.0	0.55
	131-147	17	144	13.4	4.12	1.00	1.76	10.0	6.89, 0.64, 0.00	13.4	0.72
	148-163	16	131	17.2	9.08	1.00	3.40	10.3	37.89, 0.00, 4.35	17.2	0.57
	164-188	25	218	14.9	5.12	1.00	3.23	10.3	18.85, 1.13, 0.00	14.9	0.75
	189-205	17	143	16.4	6.21	1.00	3.07	7.9	23.77, 1.43, 0.00	16.4	0.68
	206-227	22	174	13.8	2.96	1.00	1.65	11.4	13.62, 0.78, 0.00	13.8	0.82
	228-251	24	218	14.8	7.15	1.00	3.58	5.8	14.48, 0.00, 4.43	14.8	0.61
	252-264	13	98	19.9	9.18	1.00	3.95	11.9	26.95, 5.88, 0.00	19.9	0.64
	265-285	21	161	17.0	8.43	1.00	3.59	4.8	13.58, 0.00, 2.83	17.0	0.60
	286-291	6	54	21.2	10.13	1.00	5.91	13.9	0.00, 0.00, 0.00	21.2	0.66
	292-309	18	156	17.2	6.92	1.00	2.78	9.9	16.40, 0.00, 5.15	17.2	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=2.76 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>
	8-26	19	146	18.6	7.95	1.00	2.49	9.2	32.37, 0.00, 1.21	18.6	0.65
	27-55	29	205	21.3	7.16	1.00	3.78	12.0	20.34, 4.07, 0.00	21.3	0.74
	56-69	14	98	17.3	5.81	1.00	3.04	10.1	19.43, 0.00, 1.57	17.3	0.71
	70-76	7	58	17.9	5.54	1.00	3.39	14.0	0.00, 54.96, 0.00	17.9	0.76
	77-97	10	69	24.3	9.18	1.00	3.74	16.0	0.00, 56.85, 0.00	24.3	0.69
	98-116	19	139	11.4	3.19	1.00	2.64	8.8	15.50, 0.89, 0.00	11.4	0.84
	117-130	14	115	25.0	12.65	1.00	2.94	7.6	49.79, 8.06, 0.00	25.0	0.55
	131-147	17	144	13.4	4.12	1.00	1.76	10.0	6.89, 0.64, 0.00	13.4	0.72
	148-163	16	131	17.2	9.08	1.00	3.40	10.3	37.89, 0.00, 4.35	17.2	0.57
	164-188	25	218	14.9	5.12	1.00	3.23	10.3	18.85, 1.13, 0.00	14.9	0.75
	189-205	17	143	16.4	6.21	1.00	3.07	7.9	23.77, 1.43, 0.00	16.4	0.68
	206-227	22	174	13.8	2.96	1.00	1.65	11.4	13.62, 0.78, 0.00	13.8	0.82
	228-251	24	218	14.8	7.15	1.00	3.58	5.8	14.48, 0.00, 4.43	14.8	0.61
	252-264	13	98	19.9	9.18	1.00	3.95	11.9	26.95, 5.88, 0.00	19.9	0.64
	265-285	21	161	17.0	8.43	1.00	3.59	4.8	13.58, 0.00, 2.83	17.0	0.60
	286-291	6	54	21.2	10.13	1.00	5.91	13.9	0.00, 0.00, 0.00	21.2	0.66
	292-309	18	156	17.2	6.92	1.00	2.78	9.9	16.40, 0.00, 5.15	17.2	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=2.69 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>
	8-20	13	96	20.5	8.83	1.00	2.47	12.2	37.61, 0.00, 5.36	20.5	0.64
	21-36	16	121	16.7	5.53	1.00	2.55	11.0	33.35, 1.39, 0.00	16.7	0.74
	37-55	19	134	23.0	7.06	1.00	3.09	12.9	43.07, 4.94, 0.00	23.0	0.74
	56-69	14	98	17.3	5.81	1.00	3.04	10.1	19.43, 0.00, 1.57	17.3	0.71
	70-76	7	58	17.9	5.54	1.00	3.39	14.0	0.00, 54.96, 0.00	17.9	0.76
	77-97	10	69	24.3	9.18	1.00	3.74	16.0	0.00, 56.85, 0.00	24.3	0.69
	98-116	19	139	11.4	3.19	1.00	2.64	8.8	15.50, 0.89, 0.00	11.4	0.84
	117-130	14	115	25.0	12.65	1.00	2.94	7.6	49.79, 8.06, 0.00	25.0	0.55
	131-147	17	144	13.4	4.12	1.00	1.76	10.0	6.89, 0.64, 0.00	13.4	0.72
	148-163	16	131	17.2	9.08	1.00	3.40	10.3	37.89, 0.00, 4.35	17.2	0.57
	164-188	25	218	14.9	5.12	1.00	3.23	10.3	18.85, 1.13, 0.00	14.9	0.75
	189-205	17	143	16.4	6.21	1.00	3.07	7.9	23.77, 1.43, 0.00	16.4	0.68
	206-227	22	174	13.8	2.96	1.00	1.65	11.4	13.62, 0.78, 0.00	13.8	0.82
	228-251	24	218	14.8	7.15	1.00	3.58	5.8	14.48, 0.00, 4.43	14.8	0.61
	252-264	13	98	19.9	9.18	1.00	3.95	11.9	26.95, 5.88, 0.00	19.9	0.64
	265-285	21	161	17.0	8.43	1.00	3.59	4.8	13.58, 0.00, 2.83	17.0	0.60
	286-291	6	54	21.2	10.13	1.00	5.91	13.9	0.00, 0.00, 0.00	21.2	0.66
	292-309	18	156	17.2	6.92	1.00	2.78	9.9	16.40, 0.00, 5.15	17.2	0.67

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=2.63 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>
	8-20	13	96	20.5	8.83	1.00	2.47	12.2	37.61, 0.00, 5.36	20.5	0.64
	21-36	16	121	16.7	5.53	1.00	2.55	11.0	33.35, 1.39, 0.00	16.7	0.74
	37-56	20	145	22.7	7.01	1.00	3.06	13.2	40.94, 4.91, 0.00	22.7	0.74
	57-68	12	80	17.5	5.96	1.00	3.04	13.6	0.00, 31.71, 0.00	17.5	0.71
	69-73	5	42	16.4	5.75	1.00	2.32	9.6	81.94, 0.00, 8.39	16.4	0.69
	74-92	8	53	25.5	9.15	1.00	2.94	16.9	68.64, 0.00, 0.00	25.5	0.70
	93-101	9	64	17.1	6.63	1.00	3.49	13.0	0.00, 56.15, 0.00	17.1	0.68
	102-116	15	114	11.0	2.23	1.00	1.27	8.2	14.90, 2.61, 0.00	11.0	0.83
	117-130	14	115	25.0	12.65	1.00	2.94	7.6	49.79, 8.06, 0.00	25.0	0.55
	131-147	17	144	13.4	4.12	1.00	1.76	10.0	6.89, 0.64, 0.00	13.4	0.72
	148-163	16	131	17.2	9.08	1.00	3.40	10.3	37.89, 0.00, 4.35	17.2	0.57
	164-188	25	218	14.9	5.12	1.00	3.23	10.3	18.85, 1.13, 0.00	14.9	0.75
	189-205	17	143	16.4	6.21	1.00	3.07	7.9	23.77, 1.43, 0.00	16.4	0.68
	206-227	22	174	13.8	2.96	1.00	1.65	11.4	13.62, 0.78, 0.00	13.8	0.82
	228-251	24	218	14.8	7.15	1.00	3.58	5.8	14.48, 0.00, 4.43	14.8	0.61
	252-264	13	98	19.9	9.18	1.00	3.95	11.9	26.95, 5.88, 0.00	19.9	0.64
	265-285	21	161	17.0	8.43	1.00	3.59	4.8	13.58, 0.00, 2.83	17.0	0.60
	286-291	6	54	21.2	10.13	1.00	5.91	13.9	0.00, 0.00, 0.00	21.2	0.66
	292-309	18	156	17.2	6.92	1.00	2.78	9.9	16.40, 0.00, 5.15	17.2	0.67

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=2.56 and residual=0.31)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	8-20	13	96	20.5	8.83	1.00	2.47	12.2	37.61, 0.00, 5.36	20.5	0.64
	21-36	16	121	16.7	5.53	1.00	2.55	11.0	33.35, 1.39, 0.00	16.7	0.74
	37-55	19	134	23.0	7.06	1.00	3.09	12.9	43.07, 4.94, 0.00	23.0	0.74
	56-69	14	98	17.3	5.81	1.00	3.04	10.1	19.43, 0.00, 1.57	17.3	0.71
	70-76	7	58	17.9	5.54	1.00	3.39	14.0	0.00, 54.96, 0.00	17.9	0.76
	77-97	10	69	24.3	9.18	1.00	3.74	16.0	0.00, 56.85, 0.00	24.3	0.69
	98-116	19	139	11.4	3.19	1.00	2.64	8.8	15.50, 0.89, 0.00	11.4	0.84
	117-130	14	115	25.0	12.65	1.00	2.94	7.6	49.79, 8.06, 0.00	25.0	0.55
	131-147	17	144	13.4	4.12	1.00	1.76	10.0	6.89, 0.64, 0.00	13.4	0.72
	148-163	16	131	17.2	9.08	1.00	3.40	10.3	37.89, 0.00, 4.35	17.2	0.57
	164-188	25	218	14.9	5.12	1.00	3.23	10.3	18.85, 1.13, 0.00	14.9	0.75
	189-205	17	143	16.4	6.21	1.00	3.07	7.9	23.77, 1.43, 0.00	16.4	0.68
	206-227	22	174	13.8	2.96	1.00	1.65	11.4	13.62, 0.78, 0.00	13.8	0.82
	228-235	8	72	16.9	5.90	1.00	2.69	5.9	24.26, 2.35, 0.00	16.9	0.71
	236-240	5	43	19.6	11.36	1.00	2.56	10.6	69.12, 13.96, 0.00	19.6	0.53
	241-257	17	153	12.4	3.34	1.00	2.59	9.2	9.44, 0.00, 2.19	12.4	0.82
	258-267	10	63	27.2	9.39	1.00	2.61	16.6	37.78, 0.00, 9.63	27.2	0.71
	268-285	18	146	15.4	6.91	1.00	3.42	4.9	17.38, 0.00, 1.80	15.4	0.65
	286-291	6	54	21.2	10.13	1.00	5.91	13.9	0.00, 0.00, 0.00	21.2	0.66
	292-309	18	156	17.2	6.92	1.00	2.78	9.9	16.40, 0.00, 5.15	17.2	0.67

26 Mar 2010

JobID: TLSMD7779_PGZeKVnR

TLSMD Version 1.4.1 Released 11 February 2010