2LBP: Chain A TLS Analysis

26 Mar 2010

JobID: TLSMD7777_CuLHRfzL

TLSMD Version 1.4.1

2LBP: 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

Click on image for expanded view

Analysis of TLS Group 1 Chain Segments (overall rmsd_b=4.37 and residual=1.06)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-346	346	2600	8.9	5.82	1.00	4.37	1.6	0.00, 0.99, 3.14	8.9	0.62

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=3.81 and residual=0.81)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-299	299	2241	9.0	5.63	1.00	3.83	1.3	3.45, 0.99, 0.00	9.0	0.59
	300-346	47	359	8.1	6.85	1.00	4.19	3.9	0.00, 8.27, 0.00	8.1	0.49

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=3.30 and residual=0.61)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-115	115	848	7.4	4.59	1.00	2.55	1.1	4.01, 2.07, 0.00	7.4	0.54
	116-298	183	1386	10.0	5.98	1.00	3.61	1.3	0.00, 1.59, 3.90	10.0	0.55
	299-346	48	366	8.2	6.80	1.00	4.16	3.6	0.00, 8.41, 0.00	8.2	0.50

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=2.89 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>
	1-118	118	871	7.3	4.57	1.00	2.59	0.9	3.96, 2.02, 0.00	7.3	0.54
	119-250	132	995	10.0	5.85	1.00	2.96	1.2	0.04, 2.33, 4.42	10.0	0.54
	251-328	78	589	9.2	5.57	1.00	3.08	1.9	5.73, 0.00, 2.66	9.2	0.54
	329-346	18	145	9.6	9.87	1.00	3.79	3.5	19.82, 0.00, 1.08	9.6	0.34

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=2.75 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>
	1-118	118	871	7.3	4.57	1.00	2.59	0.9	3.96, 2.02, 0.00	7.3	0.54
	119-247	129	971	10.1	5.87	1.00	2.91	0.8	4.59, 2.16, 0.00	10.1	0.54
	248-299	52	399	10.1	6.18	1.00	3.14	0.3	4.60, 2.11, 0.00	10.1	0.51
	300-340	41	316	6.4	3.61	1.00	2.57	4.8	4.18, 0.07, 0.00	6.4	0.63
	341-346	6	43	21.2	10.12	1.00	1.46	20.6	9.26, 0.00, 0.00	21.2	0.57

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=2.62 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>
	1-16	16	106	8.1	5.15	1.00	2.04	5.4	3.35, 0.29, 0.00	8.1	0.50
	17-118	102	765	7.2	4.47	1.00	2.20	0.4	4.13, 2.47, 0.00	7.2	0.51
	119-247	129	971	10.1	5.87	1.00	2.91	0.8	4.59, 2.16, 0.00	10.1	0.54
	248-299	52	399	10.1	6.18	1.00	3.14	0.3	4.60, 2.11, 0.00	10.1	0.51
	300-340	41	316	6.4	3.61	1.00	2.57	4.8	4.18, 0.07, 0.00	6.4	0.63
	341-346	6	43	21.2	10.12	1.00	1.46	20.6	9.26, 0.00, 0.00	21.2	0.57

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=2.51 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>
	1-16	16	106	8.1	5.15	1.00	2.04	5.4	3.35, 0.29, 0.00	8.1	0.50
	17-110	94	695	7.2	4.56	1.00	2.13	0.5	4.22, 0.00, 2.43	7.2	0.50
	111-128	18	134	7.5	3.24	1.00	1.95	4.0	4.22, 1.24, 0.00	7.5	0.65
	129-247	119	907	10.2	6.00	1.00	2.80	0.1	4.72, 0.00, 2.31	10.2	0.53
	248-299	52	399	10.1	6.18	1.00	3.14	0.3	4.60, 2.11, 0.00	10.1	0.51
	300-340	41	316	6.4	3.61	1.00	2.57	4.8	4.18, 0.07, 0.00	6.4	0.63
	341-346	6	43	21.2	10.12	1.00	1.46	20.6	9.26, 0.00, 0.00	21.2	0.57

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=2.40 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>
	1-16	16	106	8.1	5.15	1.00	2.04	5.4	3.35, 0.29, 0.00	8.1	0.50
	17-110	94	695	7.2	4.56	1.00	2.13	0.5	4.22, 0.00, 2.43	7.2	0.50
	111-128	18	134	7.5	3.24	1.00	1.95	4.0	4.22, 1.24, 0.00	7.5	0.65
	129-247	119	907	10.2	6.00	1.00	2.80	0.1	4.72, 0.00, 2.31	10.2	0.53
	248-286	39	305	8.8	5.96	1.00	2.67	-3.2	6.60, 0.77, 0.00	8.8	0.45
	287-298	12	87	14.6	4.94	1.00	1.75	11.1	0.00, 14.38, 0.00	14.6	0.67
	299-340	42	323	6.5	3.62	1.00	2.58	4.5	4.75, 0.17, 0.00	6.5	0.63
	341-346	6	43	21.2	10.12	1.00	1.46	20.6	9.26, 0.00, 0.00	21.2	0.57

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=2.32 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>
	1-16	16	106	8.1	5.15	1.00	2.04	5.4	3.35, 0.29, 0.00	8.1	0.50
	17-110	94	695	7.2	4.56	1.00	2.13	0.5	4.22, 0.00, 2.43	7.2	0.50
	111-143	33	256	9.9	4.89	1.00	2.87	6.0	2.08, 0.64, 0.00	9.9	0.59
	144-153	10	82	8.8	6.52	1.00	2.48	4.1	20.28, 0.00, 4.24	8.8	0.40
	154-247	94	703	10.0	5.99	1.00	2.48	-0.0	0.02, 2.14, 4.33	10.0	0.48
	248-286	39	305	8.8	5.96	1.00	2.67	-3.2	6.60, 0.77, 0.00	8.8	0.45
	287-298	12	87	14.6	4.94	1.00	1.75	11.1	0.00, 14.38, 0.00	14.6	0.67
	299-340	42	323	6.5	3.62	1.00	2.58	4.5	4.75, 0.17, 0.00	6.5	0.63
	341-346	6	43	21.2	10.12	1.00	1.46	20.6	9.26, 0.00, 0.00	21.2	0.57

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=2.24 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>
	1-16	16	106	8.1	5.15	1.00	2.04	5.4	3.35, 0.29, 0.00	8.1	0.50
	17-109	93	691	7.1	4.56	1.00	2.13	0.5	4.22, 0.00, 2.47	7.1	0.50
	110-132	23	172	7.6	3.01	1.00	2.10	6.4	0.00, 3.97, 0.00	7.6	0.71
	133-146	14	114	12.3	5.70	1.00	1.90	2.4	5.68, 1.86, 0.00	12.3	0.54
	147-155	9	69	9.0	7.15	1.00	1.60	5.1	0.00, 26.25, 0.00	9.0	0.33
	156-247	92	690	10.1	5.96	1.00	2.50	0.1	0.07, 2.06, 4.34	10.1	0.48
	248-286	39	305	8.8	5.96	1.00	2.67	-3.2	6.60, 0.77, 0.00	8.8	0.45
	287-298	12	87	14.6	4.94	1.00	1.75	11.1	0.00, 14.38, 0.00	14.6	0.67
	299-340	42	323	6.5	3.62	1.00	2.58	4.5	4.75, 0.17, 0.00	6.5	0.63
	341-346	6	43	21.2	10.12	1.00	1.46	20.6	9.26, 0.00, 0.00	21.2	0.57

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=2.16 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>
	1-16	16	106	8.1	5.15	1.00	2.04	5.4	3.35, 0.29, 0.00	8.1	0.50
	17-109	93	691	7.1	4.56	1.00	2.13	0.5	4.22, 0.00, 2.47	7.1	0.50
	110-132	23	172	7.6	3.01	1.00	2.10	6.4	0.00, 3.97, 0.00	7.6	0.71
	133-146	14	114	12.3	5.70	1.00	1.90	2.4	5.68, 1.86, 0.00	12.3	0.54
	147-158	12	93	8.9	6.25	1.00	1.82	3.4	0.00, 21.55, 0.00	8.9	0.43
	159-189	31	229	14.0	4.59	1.00	2.44	9.1	5.37, 0.01, 0.00	14.0	0.73
	190-247	58	437	8.1	5.72	1.00	2.12	1.2	0.23, 2.17, 2.84	8.1	0.43
	248-286	39	305	8.8	5.96	1.00	2.67	-3.2	6.60, 0.77, 0.00	8.8	0.45
	287-298	12	87	14.6	4.94	1.00	1.75	11.1	0.00, 14.38, 0.00	14.6	0.67
	299-340	42	323	6.5	3.62	1.00	2.58	4.5	4.75, 0.17, 0.00	6.5	0.63
	341-346	6	43	21.2	10.12	1.00	1.46	20.6	9.26, 0.00, 0.00	21.2	0.57

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=2.10 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>
	1-16	16	106	8.1	5.15	1.00	2.04	5.4	3.35, 0.29, 0.00	8.1	0.50
	17-109	93	691	7.1	4.56	1.00	2.13	0.5	4.22, 0.00, 2.47	7.1	0.50
	110-132	23	172	7.6	3.01	1.00	2.10	6.4	0.00, 3.97, 0.00	7.6	0.71
	133-146	14	114	12.3	5.70	1.00	1.90	2.4	5.68, 1.86, 0.00	12.3	0.54
	147-155	9	69	9.0	7.15	1.00	1.60	5.1	0.00, 26.25, 0.00	9.0	0.33
	156-177	22	161	12.1	4.43	1.00	2.08	6.4	7.58, 0.00, 0.00	12.1	0.70
	178-183	6	47	19.4	2.45	1.00	1.44	18.8	0.00, 8.10, 0.00	19.4	0.89
	184-247	64	482	8.6	5.61	1.00	2.07	1.2	0.10, 2.86, 2.10	8.6	0.44
	248-286	39	305	8.8	5.96	1.00	2.67	-3.2	6.60, 0.77, 0.00	8.8	0.45
	287-298	12	87	14.6	4.94	1.00	1.75	11.1	0.00, 14.38, 0.00	14.6	0.67
	299-340	42	323	6.5	3.62	1.00	2.58	4.5	4.75, 0.17, 0.00	6.5	0.63
	341-346	6	43	21.2	10.12	1.00	1.46	20.6	9.26, 0.00, 0.00	21.2	0.57

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=2.04 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>
	1-16	16	106	8.1	5.15	1.00	2.04	5.4	3.35, 0.29, 0.00	8.1	0.50
	17-109	93	691	7.1	4.56	1.00	2.13	0.5	4.22, 0.00, 2.47	7.1	0.50
	110-132	23	172	7.6	3.01	1.00	2.10	6.4	0.00, 3.97, 0.00	7.6	0.71
	133-146	14	114	12.3	5.70	1.00	1.90	2.4	5.68, 1.86, 0.00	12.3	0.54
	147-155	9	69	9.0	7.15	1.00	1.60	5.1	0.00, 26.25, 0.00	9.0	0.33
	156-177	22	161	12.1	4.43	1.00	2.08	6.4	7.58, 0.00, 0.00	12.1	0.70
	178-183	6	47	19.4	2.45	1.00	1.44	18.8	0.00, 8.10, 0.00	19.4	0.89
	184-247	64	482	8.6	5.61	1.00	2.07	1.2	0.10, 2.86, 2.10	8.6	0.44
	248-286	39	305	8.8	5.96	1.00	2.67	-3.2	6.60, 0.77, 0.00	8.8	0.45
	287-298	12	87	14.6	4.94	1.00	1.75	11.1	0.00, 14.38, 0.00	14.6	0.67
	299-328	30	221	7.2	3.21	1.00	2.13	5.0	5.26, 0.24, 0.00	7.2	0.67
	329-340	12	102	4.8	3.86	1.00	1.48	-0.1	12.49, 2.79, 0.00	4.8	0.39
	341-346	6	43	21.2	10.12	1.00	1.46	20.6	9.26, 0.00, 0.00	21.2	0.57

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=1.98 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>
	1-16	16	106	8.1	5.15	1.00	2.04	5.4	3.35, 0.29, 0.00	8.1	0.50
	17-109	93	691	7.1	4.56	1.00	2.13	0.5	4.22, 0.00, 2.47	7.1	0.50
	110-132	23	172	7.6	3.01	1.00	2.10	6.4	0.00, 3.97, 0.00	7.6	0.71
	133-146	14	114	12.3	5.70	1.00	1.90	2.4	5.68, 1.86, 0.00	12.3	0.54
	147-155	9	69	9.0	7.15	1.00	1.60	5.1	0.00, 26.25, 0.00	9.0	0.33
	156-177	22	161	12.1	4.43	1.00	2.08	6.4	7.58, 0.00, 0.00	12.1	0.70
	178-183	6	47	19.4	2.45	1.00	1.44	18.8	0.00, 8.10, 0.00	19.4	0.89
	184-247	64	482	8.6	5.61	1.00	2.07	1.2	0.10, 2.86, 2.10	8.6	0.44
	248-257	10	84	8.6	4.36	1.00	2.08	5.9	20.72, 0.00, 0.00	8.6	0.60
	258-286	29	221	8.9	6.46	1.00	2.48	-0.3	8.47, 0.00, 2.45	8.9	0.40
	287-298	12	87	14.6	4.94	1.00	1.75	11.1	0.00, 14.38, 0.00	14.6	0.67
	299-328	30	221	7.2	3.21	1.00	2.13	5.0	5.26, 0.24, 0.00	7.2	0.67
	329-340	12	102	4.8	3.86	1.00	1.48	-0.1	12.49, 2.79, 0.00	4.8	0.39
	341-346	6	43	21.2	10.12	1.00	1.46	20.6	9.26, 0.00, 0.00	21.2	0.57

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=1.92 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>
	1-16	16	106	8.1	5.15	1.00	2.04	5.4	3.35, 0.29, 0.00	8.1	0.50
	17-109	93	691	7.1	4.56	1.00	2.13	0.5	4.22, 0.00, 2.47	7.1	0.50
	110-132	23	172	7.6	3.01	1.00	2.10	6.4	0.00, 3.97, 0.00	7.6	0.71
	133-146	14	114	12.3	5.70	1.00	1.90	2.4	5.68, 1.86, 0.00	12.3	0.54
	147-155	9	69	9.0	7.15	1.00	1.60	5.1	0.00, 26.25, 0.00	9.0	0.33
	156-177	22	161	12.1	4.43	1.00	2.08	6.4	7.58, 0.00, 0.00	12.1	0.70
	178-183	6	47	19.4	2.45	1.00	1.44	18.8	0.00, 8.10, 0.00	19.4	0.89
	184-247	64	482	8.6	5.61	1.00	2.07	1.2	0.10, 2.86, 2.10	8.6	0.44
	248-256	9	79	8.7	4.49	1.00	2.05	5.8	22.48, 0.00, 0.00	8.7	0.59
	257-272	16	117	13.3	5.58	1.00	2.34	0.2	15.98, 2.62, 0.00	13.3	0.63
	273-287	15	117	4.1	2.60	1.00	1.35	0.2	6.91, 0.52, 0.00	4.1	0.51
	288-298	11	79	15.6	3.98	1.00	1.66	4.5	13.73, 3.09, 0.00	15.6	0.77
	299-328	30	221	7.2	3.21	1.00	2.13	5.0	5.26, 0.24, 0.00	7.2	0.67
	329-340	12	102	4.8	3.86	1.00	1.48	-0.1	12.49, 2.79, 0.00	4.8	0.39
	341-346	6	43	21.2	10.12	1.00	1.46	20.6	9.26, 0.00, 0.00	21.2	0.57

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=1.86 and residual=0.19)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-16	16	106	8.1	5.15	1.00	2.04	5.4	3.35, 0.29, 0.00	8.1	0.50
	17-58	42	316	7.2	4.87	1.00	1.99	0.6	0.60, 2.66, 3.65	7.2	0.42
	59-110	52	379	7.2	4.29	1.00	1.94	2.0	3.52, 2.46, 0.00	7.2	0.51
	111-132	22	168	7.5	2.98	1.00	2.12	6.3	0.00, 4.02, 0.00	7.5	0.71
	133-146	14	114	12.3	5.70	1.00	1.90	2.4	5.68, 1.86, 0.00	12.3	0.54
	147-155	9	69	9.0	7.15	1.00	1.60	5.1	0.00, 26.25, 0.00	9.0	0.33
	156-177	22	161	12.1	4.43	1.00	2.08	6.4	7.58, 0.00, 0.00	12.1	0.70
	178-183	6	47	19.4	2.45	1.00	1.44	18.8	0.00, 8.10, 0.00	19.4	0.89
	184-247	64	482	8.6	5.61	1.00	2.07	1.2	0.10, 2.86, 2.10	8.6	0.44
	248-256	9	79	8.7	4.49	1.00	2.05	5.8	22.48, 0.00, 0.00	8.7	0.59
	257-272	16	117	13.3	5.58	1.00	2.34	0.2	15.98, 2.62, 0.00	13.3	0.63
	273-287	15	117	4.1	2.60	1.00	1.35	0.2	6.91, 0.52, 0.00	4.1	0.51
	288-298	11	79	15.6	3.98	1.00	1.66	4.5	13.73, 3.09, 0.00	15.6	0.77
	299-328	30	221	7.2	3.21	1.00	2.13	5.0	5.26, 0.24, 0.00	7.2	0.67
	329-340	12	102	4.8	3.86	1.00	1.48	-0.1	12.49, 2.79, 0.00	4.8	0.39
	341-346	6	43	21.2	10.12	1.00	1.46	20.6	9.26, 0.00, 0.00	21.2	0.57

Summary of Optimal TLS Group Partition using 17 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 17 Chain Segments (overall rmsd_b=1.81 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>
	1-16	16	106	8.1	5.15	1.00	2.04	5.4	3.35, 0.29, 0.00	8.1	0.50
	17-58	42	316	7.2	4.87	1.00	1.99	0.6	0.60, 2.66, 3.65	7.2	0.42
	59-110	52	379	7.2	4.29	1.00	1.94	2.0	3.52, 2.46, 0.00	7.2	0.51
	111-132	22	168	7.5	2.98	1.00	2.12	6.3	0.00, 4.02, 0.00	7.5	0.71
	133-146	14	114	12.3	5.70	1.00	1.90	2.4	5.68, 1.86, 0.00	12.3	0.54
	147-155	9	69	9.0	7.15	1.00	1.60	5.1	0.00, 26.25, 0.00	9.0	0.33
	156-177	22	161	12.1	4.43	1.00	2.08	6.4	7.58, 0.00, 0.00	12.1	0.70
	178-183	6	47	19.4	2.45	1.00	1.44	18.8	0.00, 8.10, 0.00	19.4	0.89
	184-213	30	248	9.3	5.73	1.00	1.90	0.1	0.00, 4.75, 2.38	9.3	0.45
	214-247	34	234	7.8	5.38	1.00	1.84	2.0	4.09, 0.00, 1.77	7.8	0.43
	248-256	9	79	8.7	4.49	1.00	2.05	5.8	22.48, 0.00, 0.00	8.7	0.59
	257-272	16	117	13.3	5.58	1.00	2.34	0.2	15.98, 2.62, 0.00	13.3	0.63
	273-287	15	117	4.1	2.60	1.00	1.35	0.2	6.91, 0.52, 0.00	4.1	0.51
	288-298	11	79	15.6	3.98	1.00	1.66	4.5	13.73, 3.09, 0.00	15.6	0.77
	299-328	30	221	7.2	3.21	1.00	2.13	5.0	5.26, 0.24, 0.00	7.2	0.67
	329-340	12	102	4.8	3.86	1.00	1.48	-0.1	12.49, 2.79, 0.00	4.8	0.39
	341-346	6	43	21.2	10.12	1.00	1.46	20.6	9.26, 0.00, 0.00	21.2	0.57

Summary of Optimal TLS Group Partition using 18 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 18 Chain Segments (overall rmsd_b=1.75 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>
	1-16	16	106	8.1	5.15	1.00	2.04	5.4	3.35, 0.29, 0.00	8.1	0.50
	17-58	42	316	7.2	4.87	1.00	1.99	0.6	0.60, 2.66, 3.65	7.2	0.42
	59-110	52	379	7.2	4.29	1.00	1.94	2.0	3.52, 2.46, 0.00	7.2	0.51
	111-132	22	168	7.5	2.98	1.00	2.12	6.3	0.00, 4.02, 0.00	7.5	0.71
	133-146	14	114	12.3	5.70	1.00	1.90	2.4	5.68, 1.86, 0.00	12.3	0.54
	147-155	9	69	9.0	7.15	1.00	1.60	5.1	0.00, 26.25, 0.00	9.0	0.33
	156-177	22	161	12.1	4.43	1.00	2.08	6.4	7.58, 0.00, 0.00	12.1	0.70
	178-183	6	47	19.4	2.45	1.00	1.44	18.8	0.00, 8.10, 0.00	19.4	0.89
	184-208	25	207	8.4	5.65	1.00	1.41	-7.3	3.85, 0.31, 0.92	8.4	0.42
	209-221	13	102	14.0	3.94	1.00	1.62	7.3	6.44, 4.41, 0.00	14.0	0.73
	222-247	26	173	5.6	3.74	1.00	1.64	3.4	4.82, 0.00, 0.15	5.6	0.43
	248-256	9	79	8.7	4.49	1.00	2.05	5.8	22.48, 0.00, 0.00	8.7	0.59
	257-272	16	117	13.3	5.58	1.00	2.34	0.2	15.98, 2.62, 0.00	13.3	0.63
	273-287	15	117	4.1	2.60	1.00	1.35	0.2	6.91, 0.52, 0.00	4.1	0.51
	288-298	11	79	15.6	3.98	1.00	1.66	4.5	13.73, 3.09, 0.00	15.6	0.77
	299-328	30	221	7.2	3.21	1.00	2.13	5.0	5.26, 0.24, 0.00	7.2	0.67
	329-340	12	102	4.8	3.86	1.00	1.48	-0.1	12.49, 2.79, 0.00	4.8	0.39
	341-346	6	43	21.2	10.12	1.00	1.46	20.6	9.26, 0.00, 0.00	21.2	0.57

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

Click on image for expanded view

Analysis of TLS Group 19 Chain Segments (overall rmsd_b=1.70 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>
	1-16	16	106	8.1	5.15	1.00	2.04	5.4	3.35, 0.29, 0.00	8.1	0.50
	17-58	42	316	7.2	4.87	1.00	1.99	0.6	0.60, 2.66, 3.65	7.2	0.42
	59-110	52	379	7.2	4.29	1.00	1.94	2.0	3.52, 2.46, 0.00	7.2	0.51
	111-132	22	168	7.5	2.98	1.00	2.12	6.3	0.00, 4.02, 0.00	7.5	0.71
	133-146	14	114	12.3	5.70	1.00	1.90	2.4	5.68, 1.86, 0.00	12.3	0.54
	147-155	9	69	9.0	7.15	1.00	1.60	5.1	0.00, 26.25, 0.00	9.0	0.33
	156-177	22	161	12.1	4.43	1.00	2.08	6.4	7.58, 0.00, 0.00	12.1	0.70
	178-183	6	47	19.4	2.45	1.00	1.44	18.8	0.00, 8.10, 0.00	19.4	0.89
	184-208	25	207	8.4	5.65	1.00	1.41	-7.3	3.85, 0.31, 0.92	8.4	0.42
	209-221	13	102	14.0	3.94	1.00	1.62	7.3	6.44, 4.41, 0.00	14.0	0.73
	222-247	26	173	5.6	3.74	1.00	1.64	3.4	4.82, 0.00, 0.15	5.6	0.43
	248-256	9	79	8.7	4.49	1.00	2.05	5.8	22.48, 0.00, 0.00	8.7	0.59
	257-272	16	117	13.3	5.58	1.00	2.34	0.2	15.98, 2.62, 0.00	13.3	0.63
	273-287	15	117	4.1	2.60	1.00	1.35	0.2	6.91, 0.52, 0.00	4.1	0.51
	288-298	11	79	15.6	3.98	1.00	1.66	4.5	13.73, 3.09, 0.00	15.6	0.77
	299-314	16	113	6.7	2.26	1.00	1.66	5.1	0.00, 5.59, 0.00	6.7	0.77
	315-329	15	119	8.1	3.91	1.00	1.99	2.4	11.15, 0.00, 2.01	8.1	0.60
	330-340	11	91	3.9	3.15	1.00	1.36	0.1	11.71, 2.81, 0.00	3.9	0.40
	341-346	6	43	21.2	10.12	1.00	1.46	20.6	9.26, 0.00, 0.00	21.2	0.57

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

Click on image for expanded view

Analysis of TLS Group 20 Chain Segments (overall rmsd_b=1.65 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>
	1-16	16	106	8.1	5.15	1.00	2.04	5.4	3.35, 0.29, 0.00	8.1	0.50
	17-58	42	316	7.2	4.87	1.00	1.99	0.6	0.60, 2.66, 3.65	7.2	0.42
	59-101	43	312	5.8	3.12	1.00	1.70	1.8	0.00, 2.74, 3.33	5.8	0.57
	102-110	9	67	13.5	3.30	1.00	1.62	11.2	0.00, 25.52, 0.00	13.5	0.79
	111-132	22	168	7.5	2.98	1.00	2.12	6.3	0.00, 4.02, 0.00	7.5	0.71
	133-146	14	114	12.3	5.70	1.00	1.90	2.4	5.68, 1.86, 0.00	12.3	0.54
	147-155	9	69	9.0	7.15	1.00	1.60	5.1	0.00, 26.25, 0.00	9.0	0.33
	156-177	22	161	12.1	4.43	1.00	2.08	6.4	7.58, 0.00, 0.00	12.1	0.70
	178-183	6	47	19.4	2.45	1.00	1.44	18.8	0.00, 8.10, 0.00	19.4	0.89
	184-208	25	207	8.4	5.65	1.00	1.41	-7.3	3.85, 0.31, 0.92	8.4	0.42
	209-221	13	102	14.0	3.94	1.00	1.62	7.3	6.44, 4.41, 0.00	14.0	0.73
	222-247	26	173	5.6	3.74	1.00	1.64	3.4	4.82, 0.00, 0.15	5.6	0.43
	248-256	9	79	8.7	4.49	1.00	2.05	5.8	22.48, 0.00, 0.00	8.7	0.59
	257-272	16	117	13.3	5.58	1.00	2.34	0.2	15.98, 2.62, 0.00	13.3	0.63
	273-287	15	117	4.1	2.60	1.00	1.35	0.2	6.91, 0.52, 0.00	4.1	0.51
	288-298	11	79	15.6	3.98	1.00	1.66	4.5	13.73, 3.09, 0.00	15.6	0.77
	299-314	16	113	6.7	2.26	1.00	1.66	5.1	0.00, 5.59, 0.00	6.7	0.77
	315-329	15	119	8.1	3.91	1.00	1.99	2.4	11.15, 0.00, 2.01	8.1	0.60
	330-340	11	91	3.9	3.15	1.00	1.36	0.1	11.71, 2.81, 0.00	3.9	0.40
	341-346	6	43	21.2	10.12	1.00	1.46	20.6	9.26, 0.00, 0.00	21.2	0.57

26 Mar 2010

JobID: TLSMD7777_CuLHRfzL

TLSMD Version 1.4.1 Released 11 February 2010