4HVP: Chain A TLS Analysis

26 Mar 2010

JobID: TLSMD7763_hYEdDgTO

TLSMD Version 1.4.1

4HVP: 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

# 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

Click on image for expanded view

Analysis of TLS Group 1 Chain Segments (overall rmsd_b=5.41 and residual=0.47)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-99	99	758	14.4	8.50	1.00	5.42	3.1	0.00, 5.05, 6.55	14.4	0.57

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

Click on image for expanded view

Analysis of TLS Group 2 Chain Segments (overall rmsd_b=4.83 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>
	1-8	8	73	19.1	10.80	1.00	5.03	11.5	36.73, 0.00, 0.00	19.1	0.60
	9-99	91	685	13.9	8.05	1.00	4.88	3.2	0.60, 4.06, 6.18	13.9	0.56

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

Click on image for expanded view

Analysis of TLS Group 3 Chain Segments (overall rmsd_b=4.28 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>
	1-24	24	193	17.4	9.44	1.00	5.56	0.2	24.25, 2.93, 0.00	17.4	0.60
	25-65	41	318	16.5	8.43	1.00	4.57	3.0	10.77, 7.11, 0.00	16.5	0.58
	66-99	34	247	9.3	4.70	1.00	3.19	5.9	0.00, 3.74, 0.00	9.3	0.68

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

Click on image for expanded view

Analysis of TLS Group 4 Chain Segments (overall rmsd_b=3.79 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>
	1-7	7	62	18.5	10.67	1.00	3.80	12.2	52.77, 0.00, 0.00	18.5	0.59
	8-19	12	92	18.4	8.89	1.00	3.55	5.6	48.03, 0.00, 7.04	18.4	0.57
	20-61	42	326	16.2	8.65	1.00	4.69	2.7	9.56, 7.06, 0.00	16.2	0.56
	62-99	38	278	10.0	5.04	1.00	3.35	4.1	0.00, 3.57, 1.47	10.0	0.65

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

Click on image for expanded view

Analysis of TLS Group 5 Chain Segments (overall rmsd_b=3.57 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>
	1-7	7	62	18.5	10.67	1.00	3.80	12.2	52.77, 0.00, 0.00	18.5	0.59
	8-19	12	92	18.4	8.89	1.00	3.55	5.6	48.03, 0.00, 7.04	18.4	0.57
	20-55	36	270	16.1	8.71	1.00	4.60	3.4	8.99, 4.77, 0.00	16.1	0.55
	56-70	15	124	15.1	6.68	1.00	4.06	5.2	19.40, 3.91, 0.00	15.1	0.66
	71-99	29	210	8.7	4.54	1.00	2.84	4.8	3.15, 0.00, 1.43	8.7	0.64

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

Click on image for expanded view

Analysis of TLS Group 6 Chain Segments (overall rmsd_b=3.26 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>
	1-7	7	62	18.5	10.67	1.00	3.80	12.2	52.77, 0.00, 0.00	18.5	0.59
	8-19	12	92	18.4	8.89	1.00	3.55	5.6	48.03, 0.00, 7.04	18.4	0.57
	20-31	12	86	10.2	5.78	1.00	2.74	4.8	11.28, 0.00, 0.04	10.2	0.58
	32-38	7	57	17.0	11.17	1.00	4.32	2.0	56.40, 0.00, 24.46	17.0	0.42
	39-65	27	214	18.2	7.16	1.00	3.83	5.2	12.91, 5.79, 0.00	18.2	0.67
	66-99	34	247	9.3	4.70	1.00	3.19	5.9	0.00, 3.74, 0.00	9.3	0.68

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

Click on image for expanded view

Analysis of TLS Group 7 Chain Segments (overall rmsd_b=2.99 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>
	1-7	7	62	18.5	10.67	1.00	3.80	12.2	52.77, 0.00, 0.00	18.5	0.59
	8-19	12	92	18.4	8.89	1.00	3.55	5.6	48.03, 0.00, 7.04	18.4	0.57
	20-31	12	86	10.2	5.78	1.00	2.74	4.8	11.28, 0.00, 0.04	10.2	0.58
	32-38	7	57	17.0	11.17	1.00	4.32	2.0	56.40, 0.00, 24.46	17.0	0.42
	39-57	19	145	19.2	7.07	1.00	3.42	10.0	20.09, 0.00, 4.88	19.2	0.69
	58-70	13	106	14.9	6.41	1.00	3.29	8.6	19.06, 0.00, 0.00	14.9	0.65
	71-99	29	210	8.7	4.54	1.00	2.84	4.8	3.15, 0.00, 1.43	8.7	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

Click on image for expanded view

Analysis of TLS Group 8 Chain Segments (overall rmsd_b=2.82 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>
	1-7	7	62	18.5	10.67	1.00	3.80	12.2	52.77, 0.00, 0.00	18.5	0.59
	8-19	12	92	18.4	8.89	1.00	3.55	5.6	48.03, 0.00, 7.04	18.4	0.57
	20-31	12	86	10.2	5.78	1.00	2.74	4.8	11.28, 0.00, 0.04	10.2	0.58
	32-38	7	57	17.0	11.17	1.00	4.32	2.0	56.40, 0.00, 24.46	17.0	0.42
	39-53	15	110	20.2	6.20	1.00	2.61	13.1	11.26, 2.21, 0.00	20.2	0.71
	54-58	5	44	15.2	7.88	1.00	2.58	10.1	42.47, 3.00, 0.00	15.2	0.60
	59-70	12	97	15.2	6.57	1.00	3.03	11.4	24.72, 0.00, 0.00	15.2	0.65
	71-99	29	210	8.7	4.54	1.00	2.84	4.8	3.15, 0.00, 1.43	8.7	0.64

Summary of Optimal TLS Group Partition using 9 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

Click on image for expanded view

Analysis of TLS Group 9 Chain Segments (overall rmsd_b=2.67 and residual=0.11)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-7	7	62	18.5	10.67	1.00	3.80	12.2	52.77, 0.00, 0.00	18.5	0.59
	8-19	12	92	18.4	8.89	1.00	3.55	5.6	48.03, 0.00, 7.04	18.4	0.57
	20-31	12	86	10.2	5.78	1.00	2.74	4.8	11.28, 0.00, 0.04	10.2	0.58
	32-38	7	57	17.0	11.17	1.00	4.32	2.0	56.40, 0.00, 24.46	17.0	0.42
	39-53	15	110	20.2	6.20	1.00	2.61	13.1	11.26, 2.21, 0.00	20.2	0.71
	54-58	5	44	15.2	7.88	1.00	2.58	10.1	42.47, 3.00, 0.00	15.2	0.60
	59-70	12	97	15.2	6.57	1.00	3.03	11.4	24.72, 0.00, 0.00	15.2	0.65
	71-90	20	141	7.2	3.33	1.00	2.40	6.5	0.00, 1.84, 0.00	7.2	0.65
	91-99	9	69	12.0	4.96	1.00	2.83	10.7	3.10, 0.00, 0.00	12.0	0.66

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

Click on image for expanded view

Analysis of TLS Group 10 Chain Segments (overall rmsd_b=2.56 and residual=0.10)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-7	7	62	18.5	10.67	1.00	3.80	12.2	52.77, 0.00, 0.00	18.5	0.59
	8-19	12	92	18.4	8.89	1.00	3.55	5.6	48.03, 0.00, 7.04	18.4	0.57
	20-25	6	47	12.3	6.86	1.00	2.32	8.3	26.81, 0.00, 0.00	12.3	0.51
	26-33	8	54	6.9	2.68	1.00	2.11	6.1	5.32, 0.00, 0.00	6.9	0.73
	34-38	5	42	21.3	9.85	1.00	4.31	4.4	74.19, 7.18, 0.00	21.3	0.60
	39-53	15	110	20.2	6.20	1.00	2.61	13.1	11.26, 2.21, 0.00	20.2	0.71
	54-58	5	44	15.2	7.88	1.00	2.58	10.1	42.47, 3.00, 0.00	15.2	0.60
	59-70	12	97	15.2	6.57	1.00	3.03	11.4	24.72, 0.00, 0.00	15.2	0.65
	71-90	20	141	7.2	3.33	1.00	2.40	6.5	0.00, 1.84, 0.00	7.2	0.65
	91-99	9	69	12.0	4.96	1.00	2.83	10.7	3.10, 0.00, 0.00	12.0	0.66

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

Click on image for expanded view

Analysis of TLS Group 11 Chain Segments (overall rmsd_b=2.45 and residual=0.10)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-7	7	62	18.5	10.67	1.00	3.80	12.2	52.77, 0.00, 0.00	18.5	0.59
	8-19	12	92	18.4	8.89	1.00	3.55	5.6	48.03, 0.00, 7.04	18.4	0.57
	20-25	6	47	12.3	6.86	1.00	2.32	8.3	26.81, 0.00, 0.00	12.3	0.51
	26-33	8	54	6.9	2.68	1.00	2.11	6.1	5.32, 0.00, 0.00	6.9	0.73
	34-38	5	42	21.3	9.85	1.00	4.31	4.4	74.19, 7.18, 0.00	21.3	0.60
	39-53	15	110	20.2	6.20	1.00	2.61	13.1	11.26, 2.21, 0.00	20.2	0.71
	54-58	5	44	15.2	7.88	1.00	2.58	10.1	42.47, 3.00, 0.00	15.2	0.60
	59-63	5	44	17.2	7.67	1.00	2.86	13.5	0.00, 36.85, 0.00	17.2	0.64
	64-71	8	58	13.1	4.91	1.00	2.49	11.1	0.00, 23.91, 0.00	13.1	0.65
	72-90	19	136	7.1	3.36	1.00	2.33	6.6	0.00, 1.63, 0.00	7.1	0.63
	91-99	9	69	12.0	4.96	1.00	2.83	10.7	3.10, 0.00, 0.00	12.0	0.66

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

Click on image for expanded view

Analysis of TLS Group 12 Chain Segments (overall rmsd_b=2.38 and residual=0.09)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-7	7	62	18.5	10.67	1.00	3.80	12.2	52.77, 0.00, 0.00	18.5	0.59
	8-19	12	92	18.4	8.89	1.00	3.55	5.6	48.03, 0.00, 7.04	18.4	0.57
	20-25	6	47	12.3	6.86	1.00	2.32	8.3	26.81, 0.00, 0.00	12.3	0.51
	26-33	8	54	6.9	2.68	1.00	2.11	6.1	5.32, 0.00, 0.00	6.9	0.73
	34-38	5	42	21.3	9.85	1.00	4.31	4.4	74.19, 7.18, 0.00	21.3	0.60
	39-53	15	110	20.2	6.20	1.00	2.61	13.1	11.26, 2.21, 0.00	20.2	0.71
	54-58	5	44	15.2	7.88	1.00	2.58	10.1	42.47, 3.00, 0.00	15.2	0.60
	59-63	5	44	17.2	7.67	1.00	2.86	13.5	0.00, 36.85, 0.00	17.2	0.64
	64-70	7	53	13.5	4.91	1.00	2.37	11.7	0.00, 21.51, 0.00	13.5	0.66
	71-79	9	57	8.4	2.72	1.00	2.49	8.4	0.00, 0.00, 0.00	8.4	0.86
	80-91	12	91	6.1	3.41	1.00	1.94	5.2	2.59, 0.08, 0.00	6.1	0.62
	92-99	8	62	12.9	4.34	1.00	2.43	1.3	28.83, 0.00, 0.51	12.9	0.72

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

Click on image for expanded view

Analysis of TLS Group 13 Chain Segments (overall rmsd_b=2.31 and residual=0.08)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-7	7	62	18.5	10.67	1.00	3.80	12.2	52.77, 0.00, 0.00	18.5	0.59
	8-19	12	92	18.4	8.89	1.00	3.55	5.6	48.03, 0.00, 7.04	18.4	0.57
	20-25	6	47	12.3	6.86	1.00	2.32	8.3	26.81, 0.00, 0.00	12.3	0.51
	26-33	8	54	6.9	2.68	1.00	2.11	6.1	5.32, 0.00, 0.00	6.9	0.73
	34-38	5	42	21.3	9.85	1.00	4.31	4.4	74.19, 7.18, 0.00	21.3	0.60
	39-45	7	59	24.7	4.40	1.00	2.29	22.9	17.62, 0.00, 0.00	24.7	0.83
	46-53	8	51	15.0	3.18	1.00	2.34	13.0	10.93, 0.00, 0.00	15.0	0.84
	54-58	5	44	15.2	7.88	1.00	2.58	10.1	42.47, 3.00, 0.00	15.2	0.60
	59-63	5	44	17.2	7.67	1.00	2.86	13.5	0.00, 36.85, 0.00	17.2	0.64
	64-70	7	53	13.5	4.91	1.00	2.37	11.7	0.00, 21.51, 0.00	13.5	0.66
	71-79	9	57	8.4	2.72	1.00	2.49	8.4	0.00, 0.00, 0.00	8.4	0.86
	80-91	12	91	6.1	3.41	1.00	1.94	5.2	2.59, 0.08, 0.00	6.1	0.62
	92-99	8	62	12.9	4.34	1.00	2.43	1.3	28.83, 0.00, 0.51	12.9	0.72

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

Click on image for expanded view

Analysis of TLS Group 14 Chain Segments (overall rmsd_b=2.24 and residual=0.08)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-7	7	62	18.5	10.67	1.00	3.80	12.2	52.77, 0.00, 0.00	18.5	0.59
	8-13	6	48	13.4	7.96	1.00	2.64	6.4	43.58, 0.00, 0.31	13.5	0.51
	14-19	6	44	23.8	6.32	1.00	3.11	14.3	46.66, 23.05, 0.00	23.8	0.74
	20-25	6	47	12.3	6.86	1.00	2.32	8.3	26.81, 0.00, 0.00	12.3	0.51
	26-33	8	54	6.9	2.68	1.00	2.11	6.1	5.32, 0.00, 0.00	6.9	0.73
	34-38	5	42	21.3	9.85	1.00	4.31	4.4	74.19, 7.18, 0.00	21.3	0.60
	39-45	7	59	24.7	4.40	1.00	2.29	22.9	17.62, 0.00, 0.00	24.7	0.83
	46-53	8	51	15.0	3.18	1.00	2.34	13.0	10.93, 0.00, 0.00	15.0	0.84
	54-58	5	44	15.2	7.88	1.00	2.58	10.1	42.47, 3.00, 0.00	15.2	0.60
	59-63	5	44	17.2	7.67	1.00	2.86	13.5	0.00, 36.85, 0.00	17.2	0.64
	64-70	7	53	13.5	4.91	1.00	2.37	11.7	0.00, 21.51, 0.00	13.5	0.66
	71-79	9	57	8.4	2.72	1.00	2.49	8.4	0.00, 0.00, 0.00	8.4	0.86
	80-91	12	91	6.1	3.41	1.00	1.94	5.2	2.59, 0.08, 0.00	6.1	0.62
	92-99	8	62	12.9	4.34	1.00	2.43	1.3	28.83, 0.00, 0.51	12.9	0.72

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

Click on image for expanded view

Analysis of TLS Group 15 Chain Segments (overall rmsd_b=2.19 and residual=0.08)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-7	7	62	18.5	10.67	1.00	3.80	12.2	52.77, 0.00, 0.00	18.5	0.59
	8-13	6	48	13.4	7.96	1.00	2.64	6.4	43.58, 0.00, 0.31	13.5	0.51
	14-19	6	44	23.8	6.32	1.00	3.11	14.3	46.66, 23.05, 0.00	23.8	0.74
	20-25	6	47	12.3	6.86	1.00	2.32	8.3	26.81, 0.00, 0.00	12.3	0.51
	26-33	8	54	6.9	2.68	1.00	2.11	6.1	5.32, 0.00, 0.00	6.9	0.73
	34-38	5	42	21.3	9.85	1.00	4.31	4.4	74.19, 7.18, 0.00	21.3	0.60
	39-45	7	59	24.7	4.40	1.00	2.29	22.9	17.62, 0.00, 0.00	24.7	0.83
	46-53	8	51	15.0	3.18	1.00	2.34	13.0	10.93, 0.00, 0.00	15.0	0.84
	54-58	5	44	15.2	7.88	1.00	2.58	10.1	42.47, 3.00, 0.00	15.2	0.60
	59-63	5	44	17.2	7.67	1.00	2.86	13.5	0.00, 36.85, 0.00	17.2	0.64
	64-69	6	44	12.7	4.61	1.00	2.35	10.7	0.00, 31.12, 0.00	12.7	0.69
	70-75	6	40	10.3	5.07	1.00	2.80	5.4	0.00, 23.66, 0.00	10.3	0.63
	76-82	7	47	9.3	2.71	1.00	2.33	9.3	0.00, 0.00, 0.00	9.3	0.82
	83-94	12	91	5.9	3.17	1.00	1.85	2.8	12.81, 0.33, 0.00	5.9	0.61
	95-99	5	41	14.8	3.66	1.00	1.54	12.4	47.30, 0.08, 0.00	14.8	0.76

Summary of Optimal TLS Group Partition using 16 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

Click on image for expanded view

Analysis of TLS Group 16 Chain Segments (overall rmsd_b=2.17 and residual=0.07)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-7	7	62	18.5	10.67	1.00	3.80	12.2	52.77, 0.00, 0.00	18.5	0.59
	8-13	6	48	13.4	7.96	1.00	2.64	6.4	43.58, 0.00, 0.31	13.5	0.51
	14-19	6	44	23.8	6.32	1.00	3.11	14.3	46.66, 23.05, 0.00	23.8	0.74
	20-25	6	47	12.3	6.86	1.00	2.32	8.3	26.81, 0.00, 0.00	12.3	0.51
	26-33	8	54	6.9	2.68	1.00	2.11	6.1	5.32, 0.00, 0.00	6.9	0.73
	34-38	5	42	21.3	9.85	1.00	4.31	4.4	74.19, 7.18, 0.00	21.3	0.60
	39-45	7	59	24.7	4.40	1.00	2.29	22.9	17.62, 0.00, 0.00	24.7	0.83
	46-53	8	51	15.0	3.18	1.00	2.34	13.0	10.93, 0.00, 0.00	15.0	0.84
	54-58	5	44	15.2	7.88	1.00	2.58	10.1	42.47, 3.00, 0.00	15.2	0.60
	59-63	5	44	17.2	7.67	1.00	2.86	13.5	0.00, 36.85, 0.00	17.2	0.64
	64-69	6	44	12.7	4.61	1.00	2.35	10.7	0.00, 31.12, 0.00	12.7	0.69
	70-75	6	40	10.3	5.07	1.00	2.80	5.4	0.00, 23.66, 0.00	10.3	0.63
	76-82	7	47	9.3	2.71	1.00	2.33	9.3	0.00, 0.00, 0.00	9.3	0.82
	83-88	6	47	5.6	2.69	1.00	1.73	4.8	0.00, 8.55, 0.00	5.6	0.65
	89-94	6	44	6.2	3.60	1.00	1.81	3.0	12.80, 0.00, 0.00	6.2	0.50
	95-99	5	41	14.8	3.66	1.00	1.54	12.4	47.30, 0.08, 0.00	14.8	0.76

26 Mar 2010

JobID: TLSMD7763_hYEdDgTO

TLSMD Version 1.4.1 Released 11 February 2010