1DVJ: Chain A TLS Analysis

26 Mar 2010

JobID: TLSMD7766_HvlAdtJq

TLSMD Version 1.4.1

1DVJ: 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=3.96 and residual=0.60)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-247	239	1831	19.5	5.95	1.00	3.96	11.1	0.00, 2.79, 2.08	19.5	0.77

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=3.42 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>
	9-166	158	1241	18.8	5.65	1.00	3.56	10.4	0.47, 3.50, 2.22	18.8	0.76
	167-247	81	590	21.0	6.29	1.00	3.34	13.5	8.16, 0.00, 1.42	21.0	0.73

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=3.15 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>
	9-34	26	212	20.5	5.87	1.00	2.43	11.9	9.01, 0.00, 4.18	20.5	0.73
	35-191	157	1214	18.7	5.52	1.00	3.38	10.6	0.32, 3.21, 1.99	18.7	0.77
	192-247	56	405	21.4	6.68	1.00	2.78	13.1	12.04, 0.00, 0.86	21.4	0.72

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=2.91 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>
	9-60	52	424	19.7	5.53	1.00	2.70	11.0	0.00, 2.17, 6.24	19.7	0.74
	61-120	60	465	17.9	6.09	1.00	2.90	10.2	10.46, 1.83, 0.05	17.9	0.71
	121-217	97	721	18.8	4.75	1.00	3.22	13.1	0.00, 1.80, 3.13	18.8	0.81
	218-247	30	221	25.0	6.80	1.00	2.40	18.1	13.89, 0.00, 0.00	25.0	0.76

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=2.74 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>
	9-60	52	424	19.7	5.53	1.00	2.70	11.0	0.00, 2.17, 6.24	19.7	0.74
	61-101	41	328	17.1	5.61	1.00	2.28	10.4	10.79, 0.00, 1.98	17.1	0.71
	102-119	18	130	20.3	6.74	1.00	2.23	13.4	32.34, 0.00, 4.09	20.3	0.70
	120-217	98	728	18.7	4.74	1.00	3.21	13.0	0.00, 1.80, 3.11	18.7	0.81
	218-247	30	221	25.0	6.80	1.00	2.40	18.1	13.89, 0.00, 0.00	25.0	0.76

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=2.59 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>
	9-60	52	424	19.7	5.53	1.00	2.70	11.0	0.00, 2.17, 6.24	19.7	0.74
	61-101	41	328	17.1	5.61	1.00	2.28	10.4	10.79, 0.00, 1.98	17.1	0.71
	102-119	18	130	20.3	6.74	1.00	2.23	13.4	32.34, 0.00, 4.09	20.3	0.70
	120-169	50	387	19.0	5.09	1.00	3.42	14.7	4.37, 2.34, 0.00	19.0	0.78
	170-218	49	349	18.4	4.24	1.00	2.30	13.7	6.57, 0.83, 0.00	18.4	0.80
	219-247	29	213	25.2	6.84	1.00	2.42	17.6	13.93, 0.64, 0.00	25.2	0.75

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=2.43 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>
	9-60	52	424	19.7	5.53	1.00	2.70	11.0	0.00, 2.17, 6.24	19.7	0.74
	61-101	41	328	17.1	5.61	1.00	2.28	10.4	10.79, 0.00, 1.98	17.1	0.71
	102-119	18	130	20.3	6.74	1.00	2.23	13.4	32.34, 0.00, 4.09	20.3	0.70
	120-147	28	209	18.2	3.72	1.00	2.39	13.0	4.20, 0.95, 0.00	18.2	0.82
	148-169	22	178	20.0	6.20	1.00	3.54	13.0	0.00, 4.25, 8.66	20.0	0.72
	170-218	49	349	18.4	4.24	1.00	2.30	13.7	6.57, 0.83, 0.00	18.4	0.80
	219-247	29	213	25.2	6.84	1.00	2.42	17.6	13.93, 0.64, 0.00	25.2	0.75

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=2.29 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>
	9-37	29	244	21.1	5.87	1.00	2.37	11.6	8.80, 0.00, 4.24	21.1	0.73
	38-61	24	189	18.1	4.66	1.00	1.96	12.1	7.91, 0.00, 3.77	18.1	0.74
	62-101	40	319	16.8	5.42	1.00	2.29	10.5	10.63, 0.00, 2.03	16.8	0.72
	102-119	18	130	20.3	6.74	1.00	2.23	13.4	32.34, 0.00, 4.09	20.3	0.70
	120-147	28	209	18.2	3.72	1.00	2.39	13.0	4.20, 0.95, 0.00	18.2	0.82
	148-169	22	178	20.0	6.20	1.00	3.54	13.0	0.00, 4.25, 8.66	20.0	0.72
	170-218	49	349	18.4	4.24	1.00	2.30	13.7	6.57, 0.83, 0.00	18.4	0.80
	219-247	29	213	25.2	6.84	1.00	2.42	17.6	13.93, 0.64, 0.00	25.2	0.75

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=2.15 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>
	9-37	29	244	21.1	5.87	1.00	2.37	11.6	8.80, 0.00, 4.24	21.1	0.73
	38-61	24	189	18.1	4.66	1.00	1.96	12.1	7.91, 0.00, 3.77	18.1	0.74
	62-101	40	319	16.8	5.42	1.00	2.29	10.5	10.63, 0.00, 2.03	16.8	0.72
	102-119	18	130	20.3	6.74	1.00	2.23	13.4	32.34, 0.00, 4.09	20.3	0.70
	120-147	28	209	18.2	3.72	1.00	2.39	13.0	4.20, 0.95, 0.00	18.2	0.82
	148-161	14	105	17.9	4.78	1.00	2.05	12.1	13.78, 0.00, 3.75	17.9	0.76
	162-169	8	73	22.9	6.76	1.00	2.57	13.8	32.56, 0.00, 4.49	22.9	0.72
	170-218	49	349	18.4	4.24	1.00	2.30	13.7	6.57, 0.83, 0.00	18.4	0.80
	219-247	29	213	25.2	6.84	1.00	2.42	17.6	13.93, 0.64, 0.00	25.2	0.75

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=2.05 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>
	9-37	29	244	21.1	5.87	1.00	2.37	11.6	8.80, 0.00, 4.24	21.1	0.73
	38-61	24	189	18.1	4.66	1.00	1.96	12.1	7.91, 0.00, 3.77	18.1	0.74
	62-101	40	319	16.8	5.42	1.00	2.29	10.5	10.63, 0.00, 2.03	16.8	0.72
	102-119	18	130	20.3	6.74	1.00	2.23	13.4	32.34, 0.00, 4.09	20.3	0.70
	120-147	28	209	18.2	3.72	1.00	2.39	13.0	4.20, 0.95, 0.00	18.2	0.82
	148-161	14	105	17.9	4.78	1.00	2.05	12.1	13.78, 0.00, 3.75	17.9	0.76
	162-169	8	73	22.9	6.76	1.00	2.57	13.8	32.56, 0.00, 4.49	22.9	0.72
	170-189	20	144	19.6	4.92	1.00	1.79	13.7	11.01, 1.68, 0.00	19.6	0.76
	190-217	28	197	17.5	3.52	1.00	1.62	14.3	4.68, 1.56, 0.00	17.5	0.81
	218-247	30	221	25.0	6.80	1.00	2.40	18.1	13.89, 0.00, 0.00	25.0	0.76

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=1.96 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>
	9-37	29	244	21.1	5.87	1.00	2.37	11.6	8.80, 0.00, 4.24	21.1	0.73
	38-61	24	189	18.1	4.66	1.00	1.96	12.1	7.91, 0.00, 3.77	18.1	0.74
	62-101	40	319	16.8	5.42	1.00	2.29	10.5	10.63, 0.00, 2.03	16.8	0.72
	102-119	18	130	20.3	6.74	1.00	2.23	13.4	32.34, 0.00, 4.09	20.3	0.70
	120-147	28	209	18.2	3.72	1.00	2.39	13.0	4.20, 0.95, 0.00	18.2	0.82
	148-161	14	105	17.9	4.78	1.00	2.05	12.1	13.78, 0.00, 3.75	17.9	0.76
	162-169	8	73	22.9	6.76	1.00	2.57	13.8	32.56, 0.00, 4.49	22.9	0.72
	170-189	20	144	19.6	4.92	1.00	1.79	13.7	11.01, 1.68, 0.00	19.6	0.76
	190-218	29	205	17.6	3.48	1.00	1.64	14.4	4.52, 1.33, 0.00	17.6	0.81
	219-231	13	103	26.6	4.62	1.00	1.71	20.5	19.81, 0.00, 4.64	26.6	0.83
	232-247	16	110	23.9	8.20	1.00	1.83	15.0	0.00, 12.21, 15.78	23.9	0.69

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=1.88 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>
	9-37	29	244	21.1	5.87	1.00	2.37	11.6	8.80, 0.00, 4.24	21.1	0.73
	38-61	24	189	18.1	4.66	1.00	1.96	12.1	7.91, 0.00, 3.77	18.1	0.74
	62-101	40	319	16.8	5.42	1.00	2.29	10.5	10.63, 0.00, 2.03	16.8	0.72
	102-119	18	130	20.3	6.74	1.00	2.23	13.4	32.34, 0.00, 4.09	20.3	0.70
	120-131	12	90	16.4	2.47	1.00	1.28	13.5	14.06, 0.00, 0.53	16.4	0.85
	132-147	16	119	19.5	3.93	1.00	1.46	15.2	20.33, 0.00, 2.76	19.5	0.82
	148-161	14	105	17.9	4.78	1.00	2.05	12.1	13.78, 0.00, 3.75	17.9	0.76
	162-169	8	73	22.9	6.76	1.00	2.57	13.8	32.56, 0.00, 4.49	22.9	0.72
	170-189	20	144	19.6	4.92	1.00	1.79	13.7	11.01, 1.68, 0.00	19.6	0.76
	190-218	29	205	17.6	3.48	1.00	1.64	14.4	4.52, 1.33, 0.00	17.6	0.81
	219-231	13	103	26.6	4.62	1.00	1.71	20.5	19.81, 0.00, 4.64	26.6	0.83
	232-247	16	110	23.9	8.20	1.00	1.83	15.0	0.00, 12.21, 15.78	23.9	0.69

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=1.81 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>
	9-37	29	244	21.1	5.87	1.00	2.37	11.6	8.80, 0.00, 4.24	21.1	0.73
	38-60	23	180	17.7	4.29	1.00	1.91	11.9	0.00, 8.36, 4.24	17.7	0.76
	61-89	29	235	17.9	6.26	1.00	2.15	10.2	13.59, 0.00, 2.67	17.9	0.68
	90-106	17	123	15.2	2.21	1.00	1.40	13.0	2.88, 0.25, 0.00	15.2	0.86
	107-119	13	100	21.6	7.13	1.00	2.08	11.6	30.00, 1.12, 7.03	21.6	0.70
	120-131	12	90	16.4	2.47	1.00	1.28	13.5	14.06, 0.00, 0.53	16.4	0.85
	132-147	16	119	19.5	3.93	1.00	1.46	15.2	20.33, 0.00, 2.76	19.5	0.82
	148-161	14	105	17.9	4.78	1.00	2.05	12.1	13.78, 0.00, 3.75	17.9	0.76
	162-169	8	73	22.9	6.76	1.00	2.57	13.8	32.56, 0.00, 4.49	22.9	0.72
	170-189	20	144	19.6	4.92	1.00	1.79	13.7	11.01, 1.68, 0.00	19.6	0.76
	190-218	29	205	17.6	3.48	1.00	1.64	14.4	4.52, 1.33, 0.00	17.6	0.81
	219-231	13	103	26.6	4.62	1.00	1.71	20.5	19.81, 0.00, 4.64	26.6	0.83
	232-247	16	110	23.9	8.20	1.00	1.83	15.0	0.00, 12.21, 15.78	23.9	0.69

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=1.75 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>
	9-37	29	244	21.1	5.87	1.00	2.37	11.6	8.80, 0.00, 4.24	21.1	0.73
	38-61	24	189	18.1	4.66	1.00	1.96	12.1	7.91, 0.00, 3.77	18.1	0.74
	62-77	16	127	17.1	5.74	1.00	1.62	10.8	10.51, 0.00, 2.73	17.1	0.71
	78-91	14	108	18.2	6.22	1.00	1.70	13.1	29.44, 0.00, 3.60	18.2	0.68
	92-106	15	114	15.0	2.08	1.00	1.41	13.5	2.69, 0.00, 0.00	15.0	0.87
	107-119	13	100	21.6	7.13	1.00	2.08	11.6	30.00, 1.12, 7.03	21.6	0.70
	120-131	12	90	16.4	2.47	1.00	1.28	13.5	14.06, 0.00, 0.53	16.4	0.85
	132-147	16	119	19.5	3.93	1.00	1.46	15.2	20.33, 0.00, 2.76	19.5	0.82
	148-161	14	105	17.9	4.78	1.00	2.05	12.1	13.78, 0.00, 3.75	17.9	0.76
	162-169	8	73	22.9	6.76	1.00	2.57	13.8	32.56, 0.00, 4.49	22.9	0.72
	170-189	20	144	19.6	4.92	1.00	1.79	13.7	11.01, 1.68, 0.00	19.6	0.76
	190-218	29	205	17.6	3.48	1.00	1.64	14.4	4.52, 1.33, 0.00	17.6	0.81
	219-231	13	103	26.6	4.62	1.00	1.71	20.5	19.81, 0.00, 4.64	26.6	0.83
	232-247	16	110	23.9	8.20	1.00	1.83	15.0	0.00, 12.21, 15.78	23.9	0.69

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=1.69 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>
	9-14	6	58	23.7	6.34	1.00	2.54	5.4	14.63, 0.00, 1.10	23.7	0.73
	15-37	23	186	20.3	5.47	1.00	1.88	12.0	0.00, 9.35, 5.86	20.3	0.72
	38-61	24	189	18.1	4.66	1.00	1.96	12.1	7.91, 0.00, 3.77	18.1	0.74
	62-77	16	127	17.1	5.74	1.00	1.62	10.8	10.51, 0.00, 2.73	17.1	0.71
	78-91	14	108	18.2	6.22	1.00	1.70	13.1	29.44, 0.00, 3.60	18.2	0.68
	92-106	15	114	15.0	2.08	1.00	1.41	13.5	2.69, 0.00, 0.00	15.0	0.87
	107-119	13	100	21.6	7.13	1.00	2.08	11.6	30.00, 1.12, 7.03	21.6	0.70
	120-131	12	90	16.4	2.47	1.00	1.28	13.5	14.06, 0.00, 0.53	16.4	0.85
	132-147	16	119	19.5	3.93	1.00	1.46	15.2	20.33, 0.00, 2.76	19.5	0.82
	148-161	14	105	17.9	4.78	1.00	2.05	12.1	13.78, 0.00, 3.75	17.9	0.76
	162-169	8	73	22.9	6.76	1.00	2.57	13.8	32.56, 0.00, 4.49	22.9	0.72
	170-189	20	144	19.6	4.92	1.00	1.79	13.7	11.01, 1.68, 0.00	19.6	0.76
	190-218	29	205	17.6	3.48	1.00	1.64	14.4	4.52, 1.33, 0.00	17.6	0.81
	219-231	13	103	26.6	4.62	1.00	1.71	20.5	19.81, 0.00, 4.64	26.6	0.83
	232-247	16	110	23.9	8.20	1.00	1.83	15.0	0.00, 12.21, 15.78	23.9	0.69

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=1.64 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>
	9-14	6	58	23.7	6.34	1.00	2.54	5.4	14.63, 0.00, 1.10	23.7	0.73
	15-37	23	186	20.3	5.47	1.00	1.88	12.0	0.00, 9.35, 5.86	20.3	0.72
	38-61	24	189	18.1	4.66	1.00	1.96	12.1	7.91, 0.00, 3.77	18.1	0.74
	62-77	16	127	17.1	5.74	1.00	1.62	10.8	10.51, 0.00, 2.73	17.1	0.71
	78-91	14	108	18.2	6.22	1.00	1.70	13.1	29.44, 0.00, 3.60	18.2	0.68
	92-106	15	114	15.0	2.08	1.00	1.41	13.5	2.69, 0.00, 0.00	15.0	0.87
	107-119	13	100	21.6	7.13	1.00	2.08	11.6	30.00, 1.12, 7.03	21.6	0.70
	120-131	12	90	16.4	2.47	1.00	1.28	13.5	14.06, 0.00, 0.53	16.4	0.85
	132-147	16	119	19.5	3.93	1.00	1.46	15.2	20.33, 0.00, 2.76	19.5	0.82
	148-161	14	105	17.9	4.78	1.00	2.05	12.1	13.78, 0.00, 3.75	17.9	0.76
	162-167	6	53	23.7	6.54	1.00	2.22	15.3	34.10, 0.00, 13.00	23.7	0.75
	168-175	8	63	19.8	5.07	1.00	1.28	14.6	24.05, 4.13, 0.00	19.8	0.75
	176-189	14	101	19.7	5.31	1.00	1.40	12.8	13.19, 0.00, 2.67	19.7	0.72
	190-218	29	205	17.6	3.48	1.00	1.64	14.4	4.52, 1.33, 0.00	17.6	0.81
	219-231	13	103	26.6	4.62	1.00	1.71	20.5	19.81, 0.00, 4.64	26.6	0.83
	232-247	16	110	23.9	8.20	1.00	1.83	15.0	0.00, 12.21, 15.78	23.9	0.69

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=1.58 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>
	9-13	5	47	25.6	5.58	1.00	1.99	19.2	41.18, 0.00, 6.33	25.6	0.77
	14-33	20	158	19.1	5.21	1.00	1.82	11.8	9.32, 0.00, 2.92	19.1	0.72
	34-51	18	147	18.2	5.03	1.00	1.63	12.4	6.03, 2.07, 0.53	18.2	0.72
	52-62	11	92	21.9	6.08	1.00	1.91	15.0	24.35, 0.00, 4.56	21.9	0.74
	63-77	15	116	15.9	3.65	1.00	1.16	11.0	6.89, 0.00, 2.78	15.9	0.78
	78-91	14	108	18.2	6.22	1.00	1.70	13.1	29.44, 0.00, 3.60	18.2	0.68
	92-106	15	114	15.0	2.08	1.00	1.41	13.5	2.69, 0.00, 0.00	15.0	0.87
	107-119	13	100	21.6	7.13	1.00	2.08	11.6	30.00, 1.12, 7.03	21.6	0.70
	120-131	12	90	16.4	2.47	1.00	1.28	13.5	14.06, 0.00, 0.53	16.4	0.85
	132-147	16	119	19.5	3.93	1.00	1.46	15.2	20.33, 0.00, 2.76	19.5	0.82
	148-161	14	105	17.9	4.78	1.00	2.05	12.1	13.78, 0.00, 3.75	17.9	0.76
	162-167	6	53	23.7	6.54	1.00	2.22	15.3	34.10, 0.00, 13.00	23.7	0.75
	168-175	8	63	19.8	5.07	1.00	1.28	14.6	24.05, 4.13, 0.00	19.8	0.75
	176-189	14	101	19.7	5.31	1.00	1.40	12.8	13.19, 0.00, 2.67	19.7	0.72
	190-218	29	205	17.6	3.48	1.00	1.64	14.4	4.52, 1.33, 0.00	17.6	0.81
	219-231	13	103	26.6	4.62	1.00	1.71	20.5	19.81, 0.00, 4.64	26.6	0.83
	232-247	16	110	23.9	8.20	1.00	1.83	15.0	0.00, 12.21, 15.78	23.9	0.69

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=1.53 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>
	9-13	5	47	25.6	5.58	1.00	1.99	19.2	41.18, 0.00, 6.33	25.6	0.77
	14-33	20	158	19.1	5.21	1.00	1.82	11.8	9.32, 0.00, 2.92	19.1	0.72
	34-51	18	147	18.2	5.03	1.00	1.63	12.4	6.03, 2.07, 0.53	18.2	0.72
	52-62	11	92	21.9	6.08	1.00	1.91	15.0	24.35, 0.00, 4.56	21.9	0.74
	63-77	15	116	15.9	3.65	1.00	1.16	11.0	6.89, 0.00, 2.78	15.9	0.78
	78-91	14	108	18.2	6.22	1.00	1.70	13.1	29.44, 0.00, 3.60	18.2	0.68
	92-106	15	114	15.0	2.08	1.00	1.41	13.5	2.69, 0.00, 0.00	15.0	0.87
	107-114	8	59	21.0	7.92	1.00	1.51	15.2	35.74, 0.00, 10.24	21.0	0.69
	115-119	5	41	22.4	5.69	1.00	1.34	12.5	28.72, 0.00, 10.66	22.4	0.77
	120-131	12	90	16.4	2.47	1.00	1.28	13.5	14.06, 0.00, 0.53	16.4	0.85
	132-147	16	119	19.5	3.93	1.00	1.46	15.2	20.33, 0.00, 2.76	19.5	0.82
	148-161	14	105	17.9	4.78	1.00	2.05	12.1	13.78, 0.00, 3.75	17.9	0.76
	162-167	6	53	23.7	6.54	1.00	2.22	15.3	34.10, 0.00, 13.00	23.7	0.75
	168-175	8	63	19.8	5.07	1.00	1.28	14.6	24.05, 4.13, 0.00	19.8	0.75
	176-189	14	101	19.7	5.31	1.00	1.40	12.8	13.19, 0.00, 2.67	19.7	0.72
	190-218	29	205	17.6	3.48	1.00	1.64	14.4	4.52, 1.33, 0.00	17.6	0.81
	219-231	13	103	26.6	4.62	1.00	1.71	20.5	19.81, 0.00, 4.64	26.6	0.83
	232-247	16	110	23.9	8.20	1.00	1.83	15.0	0.00, 12.21, 15.78	23.9	0.69

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=1.48 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>
	9-13	5	47	25.6	5.58	1.00	1.99	19.2	41.18, 0.00, 6.33	25.6	0.77
	14-33	20	158	19.1	5.21	1.00	1.82	11.8	9.32, 0.00, 2.92	19.1	0.72
	34-51	18	147	18.2	5.03	1.00	1.63	12.4	6.03, 2.07, 0.53	18.2	0.72
	52-62	11	92	21.9	6.08	1.00	1.91	15.0	24.35, 0.00, 4.56	21.9	0.74
	63-77	15	116	15.9	3.65	1.00	1.16	11.0	6.89, 0.00, 2.78	15.9	0.78
	78-91	14	108	18.2	6.22	1.00	1.70	13.1	29.44, 0.00, 3.60	18.2	0.68
	92-106	15	114	15.0	2.08	1.00	1.41	13.5	2.69, 0.00, 0.00	15.0	0.87
	107-114	8	59	21.0	7.92	1.00	1.51	15.2	35.74, 0.00, 10.24	21.0	0.69
	115-119	5	41	22.4	5.69	1.00	1.34	12.5	28.72, 0.00, 10.66	22.4	0.77
	120-131	12	90	16.4	2.47	1.00	1.28	13.5	14.06, 0.00, 0.53	16.4	0.85
	132-147	16	119	19.5	3.93	1.00	1.46	15.2	20.33, 0.00, 2.76	19.5	0.82
	148-154	7	56	18.5	5.95	1.00	1.33	10.9	40.80, 0.00, 2.48	18.5	0.70
	155-161	7	49	17.1	2.73	1.00	0.81	12.5	11.71, 2.21, 0.00	17.1	0.82
	162-167	6	53	23.7	6.54	1.00	2.22	15.3	34.10, 0.00, 13.00	23.7	0.75
	168-175	8	63	19.8	5.07	1.00	1.28	14.6	24.05, 4.13, 0.00	19.8	0.75
	176-189	14	101	19.7	5.31	1.00	1.40	12.8	13.19, 0.00, 2.67	19.7	0.72
	190-218	29	205	17.6	3.48	1.00	1.64	14.4	4.52, 1.33, 0.00	17.6	0.81
	219-231	13	103	26.6	4.62	1.00	1.71	20.5	19.81, 0.00, 4.64	26.6	0.83
	232-247	16	110	23.9	8.20	1.00	1.83	15.0	0.00, 12.21, 15.78	23.9	0.69

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=1.44 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>
	9-13	5	47	25.6	5.58	1.00	1.99	19.2	41.18, 0.00, 6.33	25.6	0.77
	14-23	10	80	16.1	3.21	1.00	1.07	12.5	17.01, 2.84, 0.00	16.1	0.81
	24-34	11	85	21.9	4.97	1.00	1.35	16.0	20.88, 0.00, 5.36	21.9	0.77
	35-51	17	140	18.1	5.13	1.00	1.56	12.5	6.15, 1.75, 0.52	18.1	0.71
	52-62	11	92	21.9	6.08	1.00	1.91	15.0	24.35, 0.00, 4.56	21.9	0.74
	63-77	15	116	15.9	3.65	1.00	1.16	11.0	6.89, 0.00, 2.78	15.9	0.78
	78-91	14	108	18.2	6.22	1.00	1.70	13.1	29.44, 0.00, 3.60	18.2	0.68
	92-106	15	114	15.0	2.08	1.00	1.41	13.5	2.69, 0.00, 0.00	15.0	0.87
	107-114	8	59	21.0	7.92	1.00	1.51	15.2	35.74, 0.00, 10.24	21.0	0.69
	115-119	5	41	22.4	5.69	1.00	1.34	12.5	28.72, 0.00, 10.66	22.4	0.77
	120-131	12	90	16.4	2.47	1.00	1.28	13.5	14.06, 0.00, 0.53	16.4	0.85
	132-147	16	119	19.5	3.93	1.00	1.46	15.2	20.33, 0.00, 2.76	19.5	0.82
	148-154	7	56	18.5	5.95	1.00	1.33	10.9	40.80, 0.00, 2.48	18.5	0.70
	155-161	7	49	17.1	2.73	1.00	0.81	12.5	11.71, 2.21, 0.00	17.1	0.82
	162-167	6	53	23.7	6.54	1.00	2.22	15.3	34.10, 0.00, 13.00	23.7	0.75
	168-175	8	63	19.8	5.07	1.00	1.28	14.6	24.05, 4.13, 0.00	19.8	0.75
	176-189	14	101	19.7	5.31	1.00	1.40	12.8	13.19, 0.00, 2.67	19.7	0.72
	190-218	29	205	17.6	3.48	1.00	1.64	14.4	4.52, 1.33, 0.00	17.6	0.81
	219-231	13	103	26.6	4.62	1.00	1.71	20.5	19.81, 0.00, 4.64	26.6	0.83
	232-247	16	110	23.9	8.20	1.00	1.83	15.0	0.00, 12.21, 15.78	23.9	0.69

26 Mar 2010

JobID: TLSMD7766_HvlAdtJq

TLSMD Version 1.4.1 Released 11 February 2010