1VJU: Chain B TLS Analysis

26 Mar 2010

JobID: TLSMD7779_PGZeKVnR

TLSMD Version 1.4.1

1VJU: Chain B TLS Analysis

Chain B 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 B

# 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=5.55 and residual=1.46)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	6-309	295	2367	17.0	7.74	1.00	5.58	8.4	3.44, 1.68, 0.00	17.0	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=5.02 and residual=1.19)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	6-229	215	1700	17.1	7.71	1.00	5.03	8.1	3.16, 1.84, 0.00	17.1	0.68
	230-309	80	667	16.8	7.84	1.00	5.46	6.7	0.00, 4.94, 2.86	16.8	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=4.68 and residual=1.04)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	6-89	75	558	19.6	8.33	1.00	4.78	10.5	9.18, 2.28, 0.00	19.6	0.70
	90-229	140	1142	15.8	7.07	1.00	4.51	8.2	2.94, 1.44, 0.00	15.8	0.69
	230-309	80	667	16.8	7.84	1.00	5.46	6.7	0.00, 4.94, 2.86	16.8	0.71

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=4.37 and residual=0.90)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	6-79	74	550	19.2	7.56	1.00	4.76	10.4	10.09, 2.20, 0.00	19.2	0.72
	89-123	35	266	15.8	8.67	1.00	4.25	8.7	23.17, 0.00, 0.97	15.8	0.63
	124-229	106	884	16.2	7.21	1.00	3.98	8.2	4.18, 1.06, 0.00	16.2	0.69
	230-309	80	667	16.8	7.84	1.00	5.46	6.7	0.00, 4.94, 2.86	16.8	0.71

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=4.09 and residual=0.79)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	6-79	74	550	19.2	7.56	1.00	4.76	10.4	10.09, 2.20, 0.00	19.2	0.72
	89-123	35	266	15.8	8.67	1.00	4.25	8.7	23.17, 0.00, 0.97	15.8	0.63
	124-225	102	847	16.1	7.24	1.00	3.88	8.8	0.00, 1.31, 4.30	16.1	0.68
	226-287	62	516	16.3	7.55	1.00	5.32	7.7	0.00, 3.84, 3.93	16.3	0.70
	288-309	22	188	18.5	8.09	1.00	4.04	7.1	15.44, 5.31, 0.01	18.5	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=3.93 and residual=0.73)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	6-79	74	550	19.2	7.56	1.00	4.76	10.4	10.09, 2.20, 0.00	19.2	0.72
	89-123	35	266	15.8	8.67	1.00	4.25	8.7	23.17, 0.00, 0.97	15.8	0.63
	124-225	102	847	16.1	7.24	1.00	3.88	8.8	0.00, 1.31, 4.30	16.1	0.68
	226-265	40	338	16.6	8.03	1.00	4.77	5.8	8.89, 0.00, 4.18	16.6	0.63
	266-289	24	194	16.5	7.55	1.00	4.75	7.1	15.58, 0.00, 3.64	16.5	0.67
	290-309	20	172	17.9	7.37	1.00	3.19	7.7	17.96, 0.00, 5.41	17.9	0.65

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=3.77 and residual=0.67)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	6-79	74	550	19.2	7.56	1.00	4.76	10.4	10.09, 2.20, 0.00	19.2	0.72
	89-123	35	266	15.8	8.67	1.00	4.25	8.7	23.17, 0.00, 0.97	15.8	0.63
	124-225	102	847	16.1	7.24	1.00	3.88	8.8	0.00, 1.31, 4.30	16.1	0.68
	226-251	26	233	14.9	6.59	1.00	3.76	5.9	12.50, 0.00, 4.88	14.9	0.65
	252-264	13	99	19.8	9.49	1.00	4.56	11.5	31.37, 5.62, 0.00	19.8	0.64
	265-289	25	200	16.9	7.78	1.00	4.69	7.1	15.56, 0.00, 3.63	16.9	0.66
	290-309	20	172	17.9	7.37	1.00	3.19	7.7	17.96, 0.00, 5.41	17.9	0.65

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=3.62 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>
	6-73	68	506	18.6	6.35	1.00	4.30	11.7	7.96, 2.33, 0.00	18.6	0.75
	74-79	6	44	25.7	14.28	1.00	2.70	8.1	0.00, 18.90, 66.80	25.7	0.46
	89-123	35	266	15.8	8.67	1.00	4.25	8.7	23.17, 0.00, 0.97	15.8	0.63
	124-225	102	847	16.1	7.24	1.00	3.88	8.8	0.00, 1.31, 4.30	16.1	0.68
	226-251	26	233	14.9	6.59	1.00	3.76	5.9	12.50, 0.00, 4.88	14.9	0.65
	252-264	13	99	19.8	9.49	1.00	4.56	11.5	31.37, 5.62, 0.00	19.8	0.64
	265-289	25	200	16.9	7.78	1.00	4.69	7.1	15.56, 0.00, 3.63	16.9	0.66
	290-309	20	172	17.9	7.37	1.00	3.19	7.7	17.96, 0.00, 5.41	17.9	0.65

Summary of Optimal TLS Group Partition using 9 Groups
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Analysis of TLS Group 9 Chain Segments (overall rmsd_b=3.47 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>
	6-37	32	242	19.6	7.00	1.00	3.39	10.7	38.21, 2.54, 0.00	19.6	0.72
	38-69	32	229	18.2	5.51	1.00	3.28	11.2	16.98, 0.00, 2.89	18.2	0.75
	70-79	10	79	20.9	12.39	1.00	4.46	6.2	45.15, 0.00, 5.22	20.9	0.51
	89-123	35	266	15.8	8.67	1.00	4.25	8.7	23.17, 0.00, 0.97	15.8	0.63
	124-225	102	847	16.1	7.24	1.00	3.88	8.8	0.00, 1.31, 4.30	16.1	0.68
	226-251	26	233	14.9	6.59	1.00	3.76	5.9	12.50, 0.00, 4.88	14.9	0.65
	252-264	13	99	19.8	9.49	1.00	4.56	11.5	31.37, 5.62, 0.00	19.8	0.64
	265-289	25	200	16.9	7.78	1.00	4.69	7.1	15.56, 0.00, 3.63	16.9	0.66
	290-309	20	172	17.9	7.37	1.00	3.19	7.7	17.96, 0.00, 5.41	17.9	0.65

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=3.32 and residual=0.52)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	6-37	32	242	19.6	7.00	1.00	3.39	10.7	38.21, 2.54, 0.00	19.6	0.72
	38-69	32	229	18.2	5.51	1.00	3.28	11.2	16.98, 0.00, 2.89	18.2	0.75
	70-79	10	79	20.9	12.39	1.00	4.46	6.2	45.15, 0.00, 5.22	20.9	0.51
	89-123	35	266	15.8	8.67	1.00	4.25	8.7	23.17, 0.00, 0.97	15.8	0.63
	124-197	74	618	16.2	7.91	1.00	3.71	10.1	4.44, 0.00, 0.85	16.2	0.65
	198-227	30	244	15.8	4.94	1.00	2.79	9.9	16.38, 1.03, 0.00	15.8	0.78
	228-251	24	218	14.8	6.73	1.00	3.77	6.4	13.42, 0.00, 4.42	14.8	0.65
	252-264	13	99	19.8	9.49	1.00	4.56	11.5	31.37, 5.62, 0.00	19.8	0.64
	265-289	25	200	16.9	7.78	1.00	4.69	7.1	15.56, 0.00, 3.63	16.9	0.66
	290-309	20	172	17.9	7.37	1.00	3.19	7.7	17.96, 0.00, 5.41	17.9	0.65

Summary of Optimal TLS Group Partition using 11 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 11 Chain Segments (overall rmsd_b=3.17 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>
	6-37	32	242	19.6	7.00	1.00	3.39	10.7	38.21, 2.54, 0.00	19.6	0.72
	38-69	32	229	18.2	5.51	1.00	3.28	11.2	16.98, 0.00, 2.89	18.2	0.75
	70-79	10	79	20.9	12.39	1.00	4.46	6.2	45.15, 0.00, 5.22	20.9	0.51
	89-116	28	205	16.0	9.48	1.00	3.10	7.9	21.93, 0.00, 1.29	16.0	0.58
	117-136	20	166	21.5	11.20	1.00	3.98	6.4	24.98, 4.63, 0.00	21.5	0.56
	137-197	61	513	14.3	5.01	1.00	3.23	9.7	6.14, 0.00, 0.93	14.3	0.73
	198-227	30	244	15.8	4.94	1.00	2.79	9.9	16.38, 1.03, 0.00	15.8	0.78
	228-251	24	218	14.8	6.73	1.00	3.77	6.4	13.42, 0.00, 4.42	14.8	0.65
	252-264	13	99	19.8	9.49	1.00	4.56	11.5	31.37, 5.62, 0.00	19.8	0.64
	265-289	25	200	16.9	7.78	1.00	4.69	7.1	15.56, 0.00, 3.63	16.9	0.66
	290-309	20	172	17.9	7.37	1.00	3.19	7.7	17.96, 0.00, 5.41	17.9	0.65

Summary of Optimal TLS Group Partition using 12 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 12 Chain Segments (overall rmsd_b=3.07 and residual=0.44)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	6-26	21	162	19.1	6.54	1.00	2.87	6.1	34.15, 0.00, 1.36	19.1	0.70
	27-49	23	177	20.7	6.68	1.00	3.61	9.8	19.96, 5.36, 0.00	20.7	0.75
	50-69	20	132	16.1	4.46	1.00	2.71	12.0	16.02, 0.00, 1.52	16.1	0.79
	70-79	10	79	20.9	12.39	1.00	4.46	6.2	45.15, 0.00, 5.22	20.9	0.51
	89-116	28	205	16.0	9.48	1.00	3.10	7.9	21.93, 0.00, 1.29	16.0	0.58
	117-136	20	166	21.5	11.20	1.00	3.98	6.4	24.98, 4.63, 0.00	21.5	0.56
	137-197	61	513	14.3	5.01	1.00	3.23	9.7	6.14, 0.00, 0.93	14.3	0.73
	198-227	30	244	15.8	4.94	1.00	2.79	9.9	16.38, 1.03, 0.00	15.8	0.78
	228-251	24	218	14.8	6.73	1.00	3.77	6.4	13.42, 0.00, 4.42	14.8	0.65
	252-264	13	99	19.8	9.49	1.00	4.56	11.5	31.37, 5.62, 0.00	19.8	0.64
	265-289	25	200	16.9	7.78	1.00	4.69	7.1	15.56, 0.00, 3.63	16.9	0.66
	290-309	20	172	17.9	7.37	1.00	3.19	7.7	17.96, 0.00, 5.41	17.9	0.65

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=2.98 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>
	6-26	21	162	19.1	6.54	1.00	2.87	6.1	34.15, 0.00, 1.36	19.1	0.70
	27-49	23	177	20.7	6.68	1.00	3.61	9.8	19.96, 5.36, 0.00	20.7	0.75
	50-69	20	132	16.1	4.46	1.00	2.71	12.0	16.02, 0.00, 1.52	16.1	0.79
	70-79	10	79	20.9	12.39	1.00	4.46	6.2	45.15, 0.00, 5.22	20.9	0.51
	89-116	28	205	16.0	9.48	1.00	3.10	7.9	21.93, 0.00, 1.29	16.0	0.58
	117-137	21	170	21.3	11.19	1.00	3.95	5.8	25.32, 4.36, 0.00	21.3	0.56
	138-166	29	242	14.4	5.39	1.00	2.34	9.9	12.56, 0.00, 1.23	14.4	0.67
	167-197	31	267	14.3	4.66	1.00	3.04	10.0	10.17, 0.00, 1.23	14.3	0.76
	198-227	30	244	15.8	4.94	1.00	2.79	9.9	16.38, 1.03, 0.00	15.8	0.78
	228-251	24	218	14.8	6.73	1.00	3.77	6.4	13.42, 0.00, 4.42	14.8	0.65
	252-264	13	99	19.8	9.49	1.00	4.56	11.5	31.37, 5.62, 0.00	19.8	0.64
	265-289	25	200	16.9	7.78	1.00	4.69	7.1	15.56, 0.00, 3.63	16.9	0.66
	290-309	20	172	17.9	7.37	1.00	3.19	7.7	17.96, 0.00, 5.41	17.9	0.65

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=2.89 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>
	6-26	21	162	19.1	6.54	1.00	2.87	6.1	34.15, 0.00, 1.36	19.1	0.70
	27-49	23	177	20.7	6.68	1.00	3.61	9.8	19.96, 5.36, 0.00	20.7	0.75
	50-69	20	132	16.1	4.46	1.00	2.71	12.0	16.02, 0.00, 1.52	16.1	0.79
	70-79	10	79	20.9	12.39	1.00	4.46	6.2	45.15, 0.00, 5.22	20.9	0.51
	89-116	28	205	16.0	9.48	1.00	3.10	7.9	21.93, 0.00, 1.29	16.0	0.58
	117-137	21	170	21.3	11.19	1.00	3.95	5.8	25.32, 4.36, 0.00	21.3	0.56
	138-166	29	242	14.4	5.39	1.00	2.34	9.9	12.56, 0.00, 1.23	14.4	0.67
	167-197	31	267	14.3	4.66	1.00	3.04	10.0	10.17, 0.00, 1.23	14.3	0.76
	198-227	30	244	15.8	4.94	1.00	2.79	9.9	16.38, 1.03, 0.00	15.8	0.78
	228-251	24	218	14.8	6.73	1.00	3.77	6.4	13.42, 0.00, 4.42	14.8	0.65
	252-264	13	99	19.8	9.49	1.00	4.56	11.5	31.37, 5.62, 0.00	19.8	0.64
	265-286	22	170	16.3	7.12	1.00	3.55	7.5	14.49, 0.00, 3.42	16.3	0.66
	287-292	6	50	21.8	9.85	1.00	3.06	15.1	110.99, 0.00, 0.00	21.8	0.61
	293-309	17	152	17.0	6.73	1.00	2.88	10.1	17.25, 0.00, 4.21	17.0	0.68

Summary of Optimal TLS Group Partition using 15 Groups
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Analysis of TLS Group 15 Chain Segments (overall rmsd_b=2.82 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>
	6-26	21	162	19.1	6.54	1.00	2.87	6.1	34.15, 0.00, 1.36	19.1	0.70
	27-49	23	177	20.7	6.68	1.00	3.61	9.8	19.96, 5.36, 0.00	20.7	0.75
	50-69	20	132	16.1	4.46	1.00	2.71	12.0	16.02, 0.00, 1.52	16.1	0.79
	70-79	10	79	20.9	12.39	1.00	4.46	6.2	45.15, 0.00, 5.22	20.9	0.51
	89-116	28	205	16.0	9.48	1.00	3.10	7.9	21.93, 0.00, 1.29	16.0	0.58
	117-137	21	170	21.3	11.19	1.00	3.95	5.8	25.32, 4.36, 0.00	21.3	0.56
	138-166	29	242	14.4	5.39	1.00	2.34	9.9	12.56, 0.00, 1.23	14.4	0.67
	167-197	31	267	14.3	4.66	1.00	3.04	10.0	10.17, 0.00, 1.23	14.3	0.76
	198-234	37	309	16.0	4.95	1.00	2.91	9.6	16.58, 0.00, 0.98	16.0	0.79
	235-240	6	50	19.1	10.22	1.00	3.13	8.1	73.17, 0.00, 14.33	19.1	0.57
	241-252	12	114	11.4	2.50	1.00	1.76	9.0	10.56, 0.00, 1.89	11.4	0.84
	253-264	12	88	20.9	9.50	1.00	4.46	12.8	32.65, 7.62, 0.00	20.9	0.65
	265-286	22	170	16.3	7.12	1.00	3.55	7.5	14.49, 0.00, 3.42	16.3	0.66
	287-292	6	50	21.8	9.85	1.00	3.06	15.1	110.99, 0.00, 0.00	21.8	0.61
	293-309	17	152	17.0	6.73	1.00	2.88	10.1	17.25, 0.00, 4.21	17.0	0.68

Summary of Optimal TLS Group Partition using 16 Groups
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Analysis of TLS Group 16 Chain Segments (overall rmsd_b=2.75 and residual=0.36)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	6-26	21	162	19.1	6.54	1.00	2.87	6.1	34.15, 0.00, 1.36	19.1	0.70
	27-49	23	177	20.7	6.68	1.00	3.61	9.8	19.96, 5.36, 0.00	20.7	0.75
	50-69	20	132	16.1	4.46	1.00	2.71	12.0	16.02, 0.00, 1.52	16.1	0.79
	70-79	10	79	20.9	12.39	1.00	4.46	6.2	45.15, 0.00, 5.22	20.9	0.51
	89-101	13	89	21.8	11.21	1.00	3.11	11.2	33.26, 1.43, 0.00	21.8	0.60
	102-123	22	177	12.7	4.66	1.00	3.01	9.0	0.00, 24.24, 0.00	12.7	0.76
	124-137	14	109	24.8	12.08	1.00	3.55	19.9	25.65, 0.00, 0.00	24.8	0.55
	138-166	29	242	14.4	5.39	1.00	2.34	9.9	12.56, 0.00, 1.23	14.4	0.67
	167-197	31	267	14.3	4.66	1.00	3.04	10.0	10.17, 0.00, 1.23	14.3	0.76
	198-234	37	309	16.0	4.95	1.00	2.91	9.6	16.58, 0.00, 0.98	16.0	0.79
	235-240	6	50	19.1	10.22	1.00	3.13	8.1	73.17, 0.00, 14.33	19.1	0.57
	241-252	12	114	11.4	2.50	1.00	1.76	9.0	10.56, 0.00, 1.89	11.4	0.84
	253-264	12	88	20.9	9.50	1.00	4.46	12.8	32.65, 7.62, 0.00	20.9	0.65
	265-286	22	170	16.3	7.12	1.00	3.55	7.5	14.49, 0.00, 3.42	16.3	0.66
	287-292	6	50	21.8	9.85	1.00	3.06	15.1	110.99, 0.00, 0.00	21.8	0.61
	293-309	17	152	17.0	6.73	1.00	2.88	10.1	17.25, 0.00, 4.21	17.0	0.68

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=2.68 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>
	6-26	21	162	19.1	6.54	1.00	2.87	6.1	34.15, 0.00, 1.36	19.1	0.70
	27-49	23	177	20.7	6.68	1.00	3.61	9.8	19.96, 5.36, 0.00	20.7	0.75
	50-69	20	132	16.1	4.46	1.00	2.71	12.0	16.02, 0.00, 1.52	16.1	0.79
	70-79	10	79	20.9	12.39	1.00	4.46	6.2	45.15, 0.00, 5.22	20.9	0.51
	89-101	13	89	21.8	11.21	1.00	3.11	11.2	33.26, 1.43, 0.00	21.8	0.60
	102-123	22	177	12.7	4.66	1.00	3.01	9.0	0.00, 24.24, 0.00	12.7	0.76
	124-137	14	109	24.8	12.08	1.00	3.55	19.9	25.65, 0.00, 0.00	24.8	0.55
	138-166	29	242	14.4	5.39	1.00	2.34	9.9	12.56, 0.00, 1.23	14.4	0.67
	167-188	22	198	14.9	5.06	1.00	2.92	9.2	17.68, 0.63, 0.00	14.9	0.74
	189-203	15	123	15.4	5.78	1.00	3.04	9.8	23.68, 0.74, 0.00	15.4	0.69
	204-234	31	255	15.3	4.24	1.00	2.40	11.4	18.95, 0.68, 0.00	15.3	0.80
	235-240	6	50	19.1	10.22	1.00	3.13	8.1	73.17, 0.00, 14.33	19.1	0.57
	241-252	12	114	11.4	2.50	1.00	1.76	9.0	10.56, 0.00, 1.89	11.4	0.84
	253-264	12	88	20.9	9.50	1.00	4.46	12.8	32.65, 7.62, 0.00	20.9	0.65
	265-286	22	170	16.3	7.12	1.00	3.55	7.5	14.49, 0.00, 3.42	16.3	0.66
	287-292	6	50	21.8	9.85	1.00	3.06	15.1	110.99, 0.00, 0.00	21.8	0.61
	293-309	17	152	17.0	6.73	1.00	2.88	10.1	17.25, 0.00, 4.21	17.0	0.68

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=2.62 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>
	6-26	21	162	19.1	6.54	1.00	2.87	6.1	34.15, 0.00, 1.36	19.1	0.70
	27-49	23	177	20.7	6.68	1.00	3.61	9.8	19.96, 5.36, 0.00	20.7	0.75
	50-68	19	125	16.3	4.53	1.00	2.76	11.9	15.93, 0.00, 1.73	16.3	0.79
	69-73	5	42	14.6	4.49	1.00	1.63	9.7	71.51, 0.00, 5.88	14.6	0.74
	74-79	6	44	25.7	14.28	1.00	2.70	8.1	0.00, 18.90, 66.80	25.7	0.46
	89-101	13	89	21.8	11.21	1.00	3.11	11.2	33.26, 1.43, 0.00	21.8	0.60
	102-123	22	177	12.7	4.66	1.00	3.01	9.0	0.00, 24.24, 0.00	12.7	0.76
	124-137	14	109	24.8	12.08	1.00	3.55	19.9	25.65, 0.00, 0.00	24.8	0.55
	138-166	29	242	14.4	5.39	1.00	2.34	9.9	12.56, 0.00, 1.23	14.4	0.67
	167-188	22	198	14.9	5.06	1.00	2.92	9.2	17.68, 0.63, 0.00	14.9	0.74
	189-203	15	123	15.4	5.78	1.00	3.04	9.8	23.68, 0.74, 0.00	15.4	0.69
	204-234	31	255	15.3	4.24	1.00	2.40	11.4	18.95, 0.68, 0.00	15.3	0.80
	235-240	6	50	19.1	10.22	1.00	3.13	8.1	73.17, 0.00, 14.33	19.1	0.57
	241-252	12	114	11.4	2.50	1.00	1.76	9.0	10.56, 0.00, 1.89	11.4	0.84
	253-264	12	88	20.9	9.50	1.00	4.46	12.8	32.65, 7.62, 0.00	20.9	0.65
	265-286	22	170	16.3	7.12	1.00	3.55	7.5	14.49, 0.00, 3.42	16.3	0.66
	287-292	6	50	21.8	9.85	1.00	3.06	15.1	110.99, 0.00, 0.00	21.8	0.61
	293-309	17	152	17.0	6.73	1.00	2.88	10.1	17.25, 0.00, 4.21	17.0	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=2.57 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>
	6-26	21	162	19.1	6.54	1.00	2.87	6.1	34.15, 0.00, 1.36	19.1	0.70
	27-49	23	177	20.7	6.68	1.00	3.61	9.8	19.96, 5.36, 0.00	20.7	0.75
	50-68	19	125	16.3	4.53	1.00	2.76	11.9	15.93, 0.00, 1.73	16.3	0.79
	69-73	5	42	14.6	4.49	1.00	1.63	9.7	71.51, 0.00, 5.88	14.6	0.74
	74-79	6	44	25.7	14.28	1.00	2.70	8.1	0.00, 18.90, 66.80	25.7	0.46
	89-101	13	89	21.8	11.21	1.00	3.11	11.2	33.26, 1.43, 0.00	21.8	0.60
	102-123	22	177	12.7	4.66	1.00	3.01	9.0	0.00, 24.24, 0.00	12.7	0.76
	124-137	14	109	24.8	12.08	1.00	3.55	19.9	25.65, 0.00, 0.00	24.8	0.55
	138-166	29	242	14.4	5.39	1.00	2.34	9.9	12.56, 0.00, 1.23	14.4	0.67
	167-188	22	198	14.9	5.06	1.00	2.92	9.2	17.68, 0.63, 0.00	14.9	0.74
	189-202	14	116	15.2	5.84	1.00	3.07	11.4	0.00, 0.00, 0.00	15.2	0.69
	203-217	15	114	15.4	4.29	1.00	2.00	11.1	18.53, 5.02, 0.00	15.4	0.76
	218-235	18	155	15.4	4.15	1.00	2.45	10.7	0.00, 2.19, 17.60	15.4	0.79
	236-240	5	43	19.6	10.95	1.00	2.96	8.6	93.54, 0.00, 0.41	19.6	0.55
	241-252	12	114	11.4	2.50	1.00	1.76	9.0	10.56, 0.00, 1.89	11.4	0.84
	253-264	12	88	20.9	9.50	1.00	4.46	12.8	32.65, 7.62, 0.00	20.9	0.65
	265-286	22	170	16.3	7.12	1.00	3.55	7.5	14.49, 0.00, 3.42	16.3	0.66
	287-292	6	50	21.8	9.85	1.00	3.06	15.1	110.99, 0.00, 0.00	21.8	0.61
	293-309	17	152	17.0	6.73	1.00	2.88	10.1	17.25, 0.00, 4.21	17.0	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=2.51 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>
	6-26	21	162	19.1	6.54	1.00	2.87	6.1	34.15, 0.00, 1.36	19.1	0.70
	27-49	23	177	20.7	6.68	1.00	3.61	9.8	19.96, 5.36, 0.00	20.7	0.75
	50-68	19	125	16.3	4.53	1.00	2.76	11.9	15.93, 0.00, 1.73	16.3	0.79
	69-73	5	42	14.6	4.49	1.00	1.63	9.7	71.51, 0.00, 5.88	14.6	0.74
	74-79	6	44	25.7	14.28	1.00	2.70	8.1	0.00, 18.90, 66.80	25.7	0.46
	89-101	13	89	21.8	11.21	1.00	3.11	11.2	33.26, 1.43, 0.00	21.8	0.60
	102-123	22	177	12.7	4.66	1.00	3.01	9.0	0.00, 24.24, 0.00	12.7	0.76
	124-137	14	109	24.8	12.08	1.00	3.55	19.9	25.65, 0.00, 0.00	24.8	0.55
	138-165	28	237	14.3	5.42	1.00	2.35	8.7	13.72, 1.24, 0.00	14.3	0.66
	166-178	13	109	15.4	6.21	1.00	3.07	10.8	25.80, 2.64, 0.00	15.4	0.67
	179-195	17	144	13.6	2.96	1.00	1.82	10.3	9.02, 0.00, 0.95	13.6	0.82
	196-201	6	52	17.7	7.28	1.00	2.40	11.7	0.00, 64.06, 0.00	17.7	0.65
	202-217	16	128	15.7	4.18	1.00	2.03	11.0	17.08, 5.13, 0.00	15.7	0.77
	218-235	18	155	15.4	4.15	1.00	2.45	10.7	0.00, 2.19, 17.60	15.4	0.79
	236-240	5	43	19.6	10.95	1.00	2.96	8.6	93.54, 0.00, 0.41	19.6	0.55
	241-252	12	114	11.4	2.50	1.00	1.76	9.0	10.56, 0.00, 1.89	11.4	0.84
	253-264	12	88	20.9	9.50	1.00	4.46	12.8	32.65, 7.62, 0.00	20.9	0.65
	265-286	22	170	16.3	7.12	1.00	3.55	7.5	14.49, 0.00, 3.42	16.3	0.66
	287-292	6	50	21.8	9.85	1.00	3.06	15.1	110.99, 0.00, 0.00	21.8	0.61
	293-309	17	152	17.0	6.73	1.00	2.88	10.1	17.25, 0.00, 4.21	17.0	0.68

26 Mar 2010

JobID: TLSMD7779_PGZeKVnR

TLSMD Version 1.4.1 Released 11 February 2010