1KP8: Chain L TLS Analysis

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1

1KP8: Chain L TLS Analysis

Chain L 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 L

# 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=13.04 and residual=14.32)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-526	525	3855	74.0	34.53	1.00	13.52	61.5	4.24, 0.00, 0.00	74.0	0.59

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=10.27 and residual=8.88)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-133	132	951	41.9	9.79	1.00	6.79	32.4	0.00, 1.57, 3.18	41.9	0.83
	134-526	393	2904	84.6	33.19	1.00	12.34	73.3	0.00, 3.74, 0.00	84.6	0.63

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=6.63 and residual=3.71)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-140	139	999	42.8	10.73	1.00	6.74	33.3	0.00, 1.58, 3.26	42.8	0.81
	141-398	258	1930	104.0	21.65	1.00	7.29	71.6	0.00, 1.90, 3.48	104.0	0.78
	399-526	128	926	45.3	11.11	1.00	5.77	30.2	6.18, 1.97, 0.34	45.3	0.79

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=6.17 and residual=3.21)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-78	77	569	42.9	9.93	1.00	5.68	36.3	10.33, 0.00, 0.00	42.9	0.82
	79-188	110	771	59.4	21.81	1.00	6.38	29.5	2.65, 0.00, 8.82	59.4	0.64
	189-399	211	1594	108.9	20.06	1.00	7.01	55.0	3.39, 0.00, 1.47	108.9	0.80
	400-526	127	921	45.2	10.99	1.00	5.74	30.2	6.21, 1.89, 0.38	45.2	0.80

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=5.47 and residual=2.52)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-78	77	569	42.9	9.93	1.00	5.68	36.3	10.33, 0.00, 0.00	42.9	0.82
	79-184	106	738	57.8	20.86	1.00	6.33	28.9	2.50, 0.00, 9.56	57.8	0.65
	185-285	101	770	121.2	16.69	1.00	5.42	66.8	0.00, 3.15, 1.67	121.2	0.85
	286-398	113	852	97.5	15.23	1.00	5.65	76.5	0.00, 3.08, 4.98	97.5	0.83
	399-526	128	926	45.3	11.11	1.00	5.77	30.2	6.18, 1.97, 0.34	45.3	0.79

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=5.12 and residual=2.21)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-78	77	569	42.9	9.93	1.00	5.68	36.3	10.33, 0.00, 0.00	42.9	0.82
	79-150	72	498	46.3	14.21	1.00	4.88	28.6	10.93, 4.56, 0.00	46.3	0.72
	151-183	33	231	80.7	8.09	1.00	3.34	69.7	0.72, 9.46, 5.70	80.7	0.90
	184-285	102	779	121.0	16.71	1.00	5.43	68.5	0.00, 2.87, 1.70	121.0	0.85
	286-398	113	852	97.5	15.23	1.00	5.65	76.5	0.00, 3.08, 4.98	97.5	0.83
	399-526	128	926	45.3	11.11	1.00	5.77	30.2	6.18, 1.97, 0.34	45.3	0.79

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=4.83 and residual=1.97)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-78	77	569	42.9	9.93	1.00	5.68	36.3	10.33, 0.00, 0.00	42.9	0.82
	79-150	72	498	46.3	14.21	1.00	4.88	28.6	10.93, 4.56, 0.00	46.3	0.72
	151-183	33	231	80.7	8.09	1.00	3.34	69.7	0.72, 9.46, 5.70	80.7	0.90
	184-283	100	757	121.3	16.83	1.00	5.21	44.1	3.08, 0.00, 1.06	121.3	0.84
	284-353	70	529	104.2	15.09	1.00	5.37	84.9	0.00, 4.84, 7.51	104.2	0.85
	354-411	58	437	81.7	15.24	1.00	6.20	70.6	0.00, 4.44, 0.00	81.7	0.80
	412-526	115	834	43.9	10.24	1.00	5.36	30.0	0.00, 2.40, 6.03	43.9	0.80

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=4.59 and residual=1.78)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-78	77	569	42.9	9.93	1.00	5.68	36.3	10.33, 0.00, 0.00	42.9	0.82
	79-150	72	498	46.3	14.21	1.00	4.88	28.6	10.93, 4.56, 0.00	46.3	0.72
	151-183	33	231	80.7	8.09	1.00	3.34	69.7	0.72, 9.46, 5.70	80.7	0.90
	184-283	100	757	121.3	16.83	1.00	5.21	44.1	3.08, 0.00, 1.06	121.3	0.84
	284-334	51	388	106.9	16.48	1.00	5.51	82.2	0.00, 6.57, 5.94	106.9	0.83
	335-397	63	478	90.7	8.91	1.00	4.15	76.0	8.91, 0.00, 3.23	90.7	0.90
	398-444	47	329	47.0	12.31	1.00	4.96	33.1	13.49, 0.00, 2.29	47.0	0.76
	445-526	82	605	44.9	11.03	1.00	4.87	27.8	10.46, 0.00, 3.34	44.9	0.77

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=4.41 and residual=1.64)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-78	77	569	42.9	9.93	1.00	5.68	36.3	10.33, 0.00, 0.00	42.9	0.82
	79-150	72	498	46.3	14.21	1.00	4.88	28.6	10.93, 4.56, 0.00	46.3	0.72
	151-183	33	231	80.7	8.09	1.00	3.34	69.7	0.72, 9.46, 5.70	80.7	0.90
	184-283	100	757	121.3	16.83	1.00	5.21	44.1	3.08, 0.00, 1.06	121.3	0.84
	284-303	20	149	99.0	10.88	1.00	2.89	85.3	0.00, 7.36, 6.45	99.0	0.88
	304-329	26	201	116.3	15.20	1.00	3.61	24.5	2.89, 0.00, 0.50	116.3	0.85
	330-397	68	516	90.5	8.69	1.00	4.19	76.6	8.54, 0.00, 3.01	90.5	0.90
	398-444	47	329	47.0	12.31	1.00	4.96	33.1	13.49, 0.00, 2.29	47.0	0.76
	445-526	82	605	44.9	11.03	1.00	4.87	27.8	10.46, 0.00, 3.34	44.9	0.77

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=4.26 and residual=1.53)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-78	77	569	42.9	9.93	1.00	5.68	36.3	10.33, 0.00, 0.00	42.9	0.82
	79-150	72	498	46.3	14.21	1.00	4.88	28.6	10.93, 4.56, 0.00	46.3	0.72
	151-183	33	231	80.7	8.09	1.00	3.34	69.7	0.72, 9.46, 5.70	80.7	0.90
	184-283	100	757	121.3	16.83	1.00	5.21	44.1	3.08, 0.00, 1.06	121.3	0.84
	284-303	20	149	99.0	10.88	1.00	2.89	85.3	0.00, 7.36, 6.45	99.0	0.88
	304-329	26	201	116.3	15.20	1.00	3.61	24.5	2.89, 0.00, 0.50	116.3	0.85
	330-397	68	516	90.5	8.69	1.00	4.19	76.6	8.54, 0.00, 3.01	90.5	0.90
	398-444	47	329	47.0	12.31	1.00	4.96	33.1	13.49, 0.00, 2.29	47.0	0.76
	445-494	50	370	46.3	9.01	1.00	4.12	22.2	10.50, 0.00, 3.75	46.3	0.81
	495-526	32	235	42.8	13.34	1.00	3.98	32.8	17.19, 0.00, 1.18	42.8	0.75

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=4.12 and residual=1.43)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-78	77	569	42.9	9.93	1.00	5.68	36.3	10.33, 0.00, 0.00	42.9	0.82
	79-150	72	498	46.3	14.21	1.00	4.88	28.6	10.93, 4.56, 0.00	46.3	0.72
	151-183	33	231	80.7	8.09	1.00	3.34	69.7	0.72, 9.46, 5.70	80.7	0.90
	184-221	38	306	109.8	13.89	1.00	3.73	107.3	0.00, 3.85, 0.00	109.8	0.84
	222-274	53	391	132.7	11.11	1.00	4.80	119.8	3.17, 0.48, 0.00	132.7	0.90
	275-303	29	209	100.9	10.04	1.00	3.68	96.2	12.43, 0.00, 0.00	100.9	0.89
	304-329	26	201	116.3	15.20	1.00	3.61	24.5	2.89, 0.00, 0.50	116.3	0.85
	330-397	68	516	90.5	8.69	1.00	4.19	76.6	8.54, 0.00, 3.01	90.5	0.90
	398-444	47	329	47.0	12.31	1.00	4.96	33.1	13.49, 0.00, 2.29	47.0	0.76
	445-494	50	370	46.3	9.01	1.00	4.12	22.2	10.50, 0.00, 3.75	46.3	0.81
	495-526	32	235	42.8	13.34	1.00	3.98	32.8	17.19, 0.00, 1.18	42.8	0.75

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=3.97 and residual=1.33)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-17	16	115	43.2	6.62	1.00	4.30	38.6	0.00, 19.47, 0.00	43.2	0.87
	18-78	61	454	42.8	10.60	1.00	5.02	32.6	0.00, 3.34, 10.07	42.8	0.78
	79-150	72	498	46.3	14.21	1.00	4.88	28.6	10.93, 4.56, 0.00	46.3	0.72
	151-183	33	231	80.7	8.09	1.00	3.34	69.7	0.72, 9.46, 5.70	80.7	0.90
	184-221	38	306	109.8	13.89	1.00	3.73	107.3	0.00, 3.85, 0.00	109.8	0.84
	222-274	53	391	132.7	11.11	1.00	4.80	119.8	3.17, 0.48, 0.00	132.7	0.90
	275-303	29	209	100.9	10.04	1.00	3.68	96.2	12.43, 0.00, 0.00	100.9	0.89
	304-329	26	201	116.3	15.20	1.00	3.61	24.5	2.89, 0.00, 0.50	116.3	0.85
	330-397	68	516	90.5	8.69	1.00	4.19	76.6	8.54, 0.00, 3.01	90.5	0.90
	398-444	47	329	47.0	12.31	1.00	4.96	33.1	13.49, 0.00, 2.29	47.0	0.76
	445-494	50	370	46.3	9.01	1.00	4.12	22.2	10.50, 0.00, 3.75	46.3	0.81
	495-526	32	235	42.8	13.34	1.00	3.98	32.8	17.19, 0.00, 1.18	42.8	0.75

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=3.84 and residual=1.24)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-17	16	115	43.2	6.62	1.00	4.30	38.6	0.00, 19.47, 0.00	43.2	0.87
	18-78	61	454	42.8	10.60	1.00	5.02	32.6	0.00, 3.34, 10.07	42.8	0.78
	79-150	72	498	46.3	14.21	1.00	4.88	28.6	10.93, 4.56, 0.00	46.3	0.72
	151-183	33	231	80.7	8.09	1.00	3.34	69.7	0.72, 9.46, 5.70	80.7	0.90
	184-221	38	306	109.8	13.89	1.00	3.73	107.3	0.00, 3.85, 0.00	109.8	0.84
	222-274	53	391	132.7	11.11	1.00	4.80	119.8	3.17, 0.48, 0.00	132.7	0.90
	275-303	29	209	100.9	10.04	1.00	3.68	96.2	12.43, 0.00, 0.00	100.9	0.89
	304-320	17	127	126.2	9.76	1.00	3.05	125.1	0.00, 3.75, 0.00	126.2	0.92
	321-367	47	372	93.7	7.45	1.00	3.96	80.8	0.00, 8.31, 4.27	93.7	0.91
	368-403	36	261	84.7	12.04	1.00	4.00	79.5	0.00, 5.23, 0.00	84.7	0.84
	404-444	41	286	43.9	9.67	1.00	4.73	34.4	0.00, 1.80, 13.68	43.9	0.81
	445-494	50	370	46.3	9.01	1.00	4.12	22.2	10.50, 0.00, 3.75	46.3	0.81
	495-526	32	235	42.8	13.34	1.00	3.98	32.8	17.19, 0.00, 1.18	42.8	0.75

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=3.73 and residual=1.17)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-17	16	115	43.2	6.62	1.00	4.30	38.6	0.00, 19.47, 0.00	43.2	0.87
	18-78	61	454	42.8	10.60	1.00	5.02	32.6	0.00, 3.34, 10.07	42.8	0.78
	79-150	72	498	46.3	14.21	1.00	4.88	28.6	10.93, 4.56, 0.00	46.3	0.72
	151-183	33	231	80.7	8.09	1.00	3.34	69.7	0.72, 9.46, 5.70	80.7	0.90
	184-221	38	306	109.8	13.89	1.00	3.73	107.3	0.00, 3.85, 0.00	109.8	0.84
	222-274	53	391	132.7	11.11	1.00	4.80	119.8	3.17, 0.48, 0.00	132.7	0.90
	275-303	29	209	100.9	10.04	1.00	3.68	96.2	12.43, 0.00, 0.00	100.9	0.89
	304-320	17	127	126.2	9.76	1.00	3.05	125.1	0.00, 3.75, 0.00	126.2	0.92
	321-367	47	372	93.7	7.45	1.00	3.96	80.8	0.00, 8.31, 4.27	93.7	0.91
	368-401	34	249	85.9	10.96	1.00	3.73	80.6	0.00, 5.23, 0.00	85.9	0.86
	402-423	22	144	47.6	10.67	1.00	2.83	38.3	12.67, 0.00, 1.09	47.6	0.80
	424-447	24	178	41.6	9.13	1.00	4.55	29.7	19.76, 7.85, 0.00	41.6	0.80
	448-494	47	346	46.6	8.52	1.00	3.67	31.4	0.00, 9.52, 5.84	46.6	0.81
	495-526	32	235	42.8	13.34	1.00	3.98	32.8	17.19, 0.00, 1.18	42.8	0.75

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=3.61 and residual=1.10)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-17	16	115	43.2	6.62	1.00	4.30	38.6	0.00, 19.47, 0.00	43.2	0.87
	18-78	61	454	42.8	10.60	1.00	5.02	32.6	0.00, 3.34, 10.07	42.8	0.78
	79-150	72	498	46.3	14.21	1.00	4.88	28.6	10.93, 4.56, 0.00	46.3	0.72
	151-178	28	200	78.7	6.65	1.00	2.92	68.3	0.57, 6.64, 12.11	78.7	0.91
	179-201	23	177	97.0	8.45	1.00	3.31	87.0	7.11, 2.23, 0.00	97.0	0.91
	202-254	53	408	125.2	9.78	1.00	3.96	103.9	2.04, 3.40, 0.00	125.2	0.91
	255-272	18	131	142.2	4.62	1.00	2.36	140.9	5.73, 0.00, 0.00	142.2	0.96
	273-303	31	221	102.4	11.53	1.00	3.63	96.3	0.00, 12.63, 0.00	102.4	0.88
	304-320	17	127	126.2	9.76	1.00	3.05	125.1	0.00, 3.75, 0.00	126.2	0.92
	321-367	47	372	93.7	7.45	1.00	3.96	80.8	0.00, 8.31, 4.27	93.7	0.91
	368-401	34	249	85.9	10.96	1.00	3.73	80.6	0.00, 5.23, 0.00	85.9	0.86
	402-423	22	144	47.6	10.67	1.00	2.83	38.3	12.67, 0.00, 1.09	47.6	0.80
	424-447	24	178	41.6	9.13	1.00	4.55	29.7	19.76, 7.85, 0.00	41.6	0.80
	448-494	47	346	46.6	8.52	1.00	3.67	31.4	0.00, 9.52, 5.84	46.6	0.81
	495-526	32	235	42.8	13.34	1.00	3.98	32.8	17.19, 0.00, 1.18	42.8	0.75

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=3.50 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>
	2-17	16	115	43.2	6.62	1.00	4.30	38.6	0.00, 19.47, 0.00	43.2	0.87
	18-69	52	391	42.4	10.92	1.00	4.94	32.4	9.20, 2.05, 0.00	42.4	0.77
	70-84	15	104	49.5	8.44	1.00	3.65	45.9	39.09, 0.00, 0.00	49.5	0.82
	85-150	66	457	45.5	14.46	1.00	4.87	28.5	9.80, 4.48, 0.00	45.5	0.70
	151-178	28	200	78.7	6.65	1.00	2.92	68.3	0.57, 6.64, 12.11	78.7	0.91
	179-201	23	177	97.0	8.45	1.00	3.31	87.0	7.11, 2.23, 0.00	97.0	0.91
	202-254	53	408	125.2	9.78	1.00	3.96	103.9	2.04, 3.40, 0.00	125.2	0.91
	255-272	18	131	142.2	4.62	1.00	2.36	140.9	5.73, 0.00, 0.00	142.2	0.96
	273-303	31	221	102.4	11.53	1.00	3.63	96.3	0.00, 12.63, 0.00	102.4	0.88
	304-320	17	127	126.2	9.76	1.00	3.05	125.1	0.00, 3.75, 0.00	126.2	0.92
	321-367	47	372	93.7	7.45	1.00	3.96	80.8	0.00, 8.31, 4.27	93.7	0.91
	368-401	34	249	85.9	10.96	1.00	3.73	80.6	0.00, 5.23, 0.00	85.9	0.86
	402-423	22	144	47.6	10.67	1.00	2.83	38.3	12.67, 0.00, 1.09	47.6	0.80
	424-447	24	178	41.6	9.13	1.00	4.55	29.7	19.76, 7.85, 0.00	41.6	0.80
	448-494	47	346	46.6	8.52	1.00	3.67	31.4	0.00, 9.52, 5.84	46.6	0.81
	495-526	32	235	42.8	13.34	1.00	3.98	32.8	17.19, 0.00, 1.18	42.8	0.75

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=3.39 and residual=0.97)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-17	16	115	43.2	6.62	1.00	4.30	38.6	0.00, 19.47, 0.00	43.2	0.87
	18-69	52	391	42.4	10.92	1.00	4.94	32.4	9.20, 2.05, 0.00	42.4	0.77
	70-84	15	104	49.5	8.44	1.00	3.65	45.9	39.09, 0.00, 0.00	49.5	0.82
	85-150	66	457	45.5	14.46	1.00	4.87	28.5	9.80, 4.48, 0.00	45.5	0.70
	151-178	28	200	78.7	6.65	1.00	2.92	68.3	0.57, 6.64, 12.11	78.7	0.91
	179-201	23	177	97.0	8.45	1.00	3.31	87.0	7.11, 2.23, 0.00	97.0	0.91
	202-254	53	408	125.2	9.78	1.00	3.96	103.9	2.04, 3.40, 0.00	125.2	0.91
	255-272	18	131	142.2	4.62	1.00	2.36	140.9	5.73, 0.00, 0.00	142.2	0.96
	273-303	31	221	102.4	11.53	1.00	3.63	96.3	0.00, 12.63, 0.00	102.4	0.88
	304-320	17	127	126.2	9.76	1.00	3.05	125.1	0.00, 3.75, 0.00	126.2	0.92
	321-367	47	372	93.7	7.45	1.00	3.96	80.8	0.00, 8.31, 4.27	93.7	0.91
	368-401	34	249	85.9	10.96	1.00	3.73	80.6	0.00, 5.23, 0.00	85.9	0.86
	402-423	22	144	47.6	10.67	1.00	2.83	38.3	12.67, 0.00, 1.09	47.6	0.80
	424-444	21	154	41.6	8.27	1.00	2.46	31.5	3.95, 8.96, 10.65	41.6	0.80
	445-459	15	114	37.7	8.07	1.00	3.17	28.3	18.42, 8.05, 0.00	37.7	0.80
	460-494	35	256	50.1	6.39	1.00	3.09	39.6	0.00, 5.87, 12.75	50.1	0.88
	495-526	32	235	42.8	13.34	1.00	3.98	32.8	17.19, 0.00, 1.18	42.8	0.75

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=3.28 and residual=0.91)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-17	16	115	43.2	6.62	1.00	4.30	38.6	0.00, 19.47, 0.00	43.2	0.87
	18-69	52	391	42.4	10.92	1.00	4.94	32.4	9.20, 2.05, 0.00	42.4	0.77
	70-84	15	104	49.5	8.44	1.00	3.65	45.9	39.09, 0.00, 0.00	49.5	0.82
	85-150	66	457	45.5	14.46	1.00	4.87	28.5	9.80, 4.48, 0.00	45.5	0.70
	151-178	28	200	78.7	6.65	1.00	2.92	68.3	0.57, 6.64, 12.11	78.7	0.91
	179-201	23	177	97.0	8.45	1.00	3.31	87.0	7.11, 2.23, 0.00	97.0	0.91
	202-254	53	408	125.2	9.78	1.00	3.96	103.9	2.04, 3.40, 0.00	125.2	0.91
	255-272	18	131	142.2	4.62	1.00	2.36	140.9	5.73, 0.00, 0.00	142.2	0.96
	273-303	31	221	102.4	11.53	1.00	3.63	96.3	0.00, 12.63, 0.00	102.4	0.88
	304-327	24	186	117.9	14.65	1.00	3.58	116.0	2.99, 0.00, 0.00	117.9	0.86
	328-353	26	194	95.1	6.39	1.00	2.78	84.9	12.84, 3.05, 0.00	95.1	0.93
	354-378	25	191	84.1	7.59	1.00	2.70	73.0	17.53, 1.06, 0.00	84.1	0.90
	379-401	23	177	89.3	11.31	1.00	3.61	86.9	0.00, 12.17, 0.00	89.3	0.86
	402-423	22	144	47.6	10.67	1.00	2.83	38.3	12.67, 0.00, 1.09	47.6	0.80
	424-444	21	154	41.6	8.27	1.00	2.46	31.5	3.95, 8.96, 10.65	41.6	0.80
	445-459	15	114	37.7	8.07	1.00	3.17	28.3	18.42, 8.05, 0.00	37.7	0.80
	460-494	35	256	50.1	6.39	1.00	3.09	39.6	0.00, 5.87, 12.75	50.1	0.88
	495-526	32	235	42.8	13.34	1.00	3.98	32.8	17.19, 0.00, 1.18	42.8	0.75

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=3.20 and residual=0.86)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-17	16	115	43.2	6.62	1.00	4.30	38.6	0.00, 19.47, 0.00	43.2	0.87
	18-69	52	391	42.4	10.92	1.00	4.94	32.4	9.20, 2.05, 0.00	42.4	0.77
	70-84	15	104	49.5	8.44	1.00	3.65	45.9	39.09, 0.00, 0.00	49.5	0.82
	85-150	66	457	45.5	14.46	1.00	4.87	28.5	9.80, 4.48, 0.00	45.5	0.70
	151-178	28	200	78.7	6.65	1.00	2.92	68.3	0.57, 6.64, 12.11	78.7	0.91
	179-200	22	171	96.2	7.60	1.00	3.32	86.9	7.18, 2.22, 0.00	96.2	0.92
	201-226	26	205	121.2	6.33	1.00	2.41	116.6	0.00, 6.09, 0.00	121.2	0.94
	227-245	19	141	134.5	7.76	1.00	2.79	134.5	0.00, 0.00, 0.00	134.5	0.94
	246-273	28	206	133.5	12.81	1.00	4.20	130.8	6.07, 0.00, 0.00	133.5	0.89
	274-303	30	214	101.5	10.50	1.00	3.66	96.0	12.98, 0.00, 0.00	101.5	0.89
	304-327	24	186	117.9	14.65	1.00	3.58	116.0	2.99, 0.00, 0.00	117.9	0.86
	328-353	26	194	95.1	6.39	1.00	2.78	84.9	12.84, 3.05, 0.00	95.1	0.93
	354-378	25	191	84.1	7.59	1.00	2.70	73.0	17.53, 1.06, 0.00	84.1	0.90
	379-401	23	177	89.3	11.31	1.00	3.61	86.9	0.00, 12.17, 0.00	89.3	0.86
	402-423	22	144	47.6	10.67	1.00	2.83	38.3	12.67, 0.00, 1.09	47.6	0.80
	424-444	21	154	41.6	8.27	1.00	2.46	31.5	3.95, 8.96, 10.65	41.6	0.80
	445-459	15	114	37.7	8.07	1.00	3.17	28.3	18.42, 8.05, 0.00	37.7	0.80
	460-494	35	256	50.1	6.39	1.00	3.09	39.6	0.00, 5.87, 12.75	50.1	0.88
	495-526	32	235	42.8	13.34	1.00	3.98	32.8	17.19, 0.00, 1.18	42.8	0.75

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=3.12 and residual=0.82)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-17	16	115	43.2	6.62	1.00	4.30	38.6	0.00, 19.47, 0.00	43.2	0.87
	18-52	35	255	41.4	11.94	1.00	4.55	30.6	9.64, 3.59, 0.00	41.4	0.75
	53-78	26	199	44.7	8.22	1.00	3.49	33.9	23.37, 4.36, 0.00	44.7	0.83
	79-109	31	204	39.6	10.15	1.00	3.53	30.3	1.97, 0.00, 14.08	39.6	0.78
	110-150	41	294	50.9	14.77	1.00	4.93	31.3	16.00, 3.84, 0.00	50.9	0.71
	151-178	28	200	78.7	6.65	1.00	2.92	68.3	0.57, 6.64, 12.11	78.7	0.91
	179-200	22	171	96.2	7.60	1.00	3.32	86.9	7.18, 2.22, 0.00	96.2	0.92
	201-226	26	205	121.2	6.33	1.00	2.41	116.6	0.00, 6.09, 0.00	121.2	0.94
	227-245	19	141	134.5	7.76	1.00	2.79	134.5	0.00, 0.00, 0.00	134.5	0.94
	246-273	28	206	133.5	12.81	1.00	4.20	130.8	6.07, 0.00, 0.00	133.5	0.89
	274-303	30	214	101.5	10.50	1.00	3.66	96.0	12.98, 0.00, 0.00	101.5	0.89
	304-327	24	186	117.9	14.65	1.00	3.58	116.0	2.99, 0.00, 0.00	117.9	0.86
	328-353	26	194	95.1	6.39	1.00	2.78	84.9	12.84, 3.05, 0.00	95.1	0.93
	354-378	25	191	84.1	7.59	1.00	2.70	73.0	17.53, 1.06, 0.00	84.1	0.90
	379-401	23	177	89.3	11.31	1.00	3.61	86.9	0.00, 12.17, 0.00	89.3	0.86
	402-423	22	144	47.6	10.67	1.00	2.83	38.3	12.67, 0.00, 1.09	47.6	0.80
	424-444	21	154	41.6	8.27	1.00	2.46	31.5	3.95, 8.96, 10.65	41.6	0.80
	445-459	15	114	37.7	8.07	1.00	3.17	28.3	18.42, 8.05, 0.00	37.7	0.80
	460-494	35	256	50.1	6.39	1.00	3.09	39.6	0.00, 5.87, 12.75	50.1	0.88
	495-526	32	235	42.8	13.34	1.00	3.98	32.8	17.19, 0.00, 1.18	42.8	0.75

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1 Released 11 February 2010