1KP8: Chain M TLS Analysis

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1

1KP8: Chain M TLS Analysis

Chain M 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 M

# 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

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Analysis of TLS Group 1 Chain Segments (overall rmsd_b=13.32 and residual=14.95)
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	86.5	43.04	1.00	13.39	-116.1	3.91, 0.00, 0.55	86.5	0.56

Summary of Optimal TLS Group Partition using 2 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 2 Chain Segments (overall rmsd_b=10.14 and residual=8.66)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-128	127	911	43.0	10.00	1.00	6.73	33.6	3.99, 1.72, 0.00	43.0	0.83
	129-526	398	2944	99.9	40.35	1.00	12.43	-50.7	0.00, 0.73, 3.73	99.9	0.62

Summary of Optimal TLS Group Partition using 3 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 3 Chain Segments (overall rmsd_b=6.88 and residual=3.99)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-138	137	985	44.8	11.64	1.00	6.67	34.5	4.51, 1.54, 0.00	44.8	0.80
	139-395	257	1920	126.2	20.53	1.00	7.68	75.5	5.76, 1.18, 0.00	126.2	0.82
	396-526	131	950	49.4	12.80	1.00	6.11	32.4	6.05, 2.17, 0.04	49.4	0.77

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

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Analysis of TLS Group 4 Chain Segments (overall rmsd_b=6.21 and residual=3.25)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-128	127	911	43.0	10.00	1.00	6.73	33.6	3.99, 1.72, 0.00	43.0	0.83
	129-335	207	1536	123.6	24.73	1.00	6.58	108.5	2.55, 0.33, 0.00	123.6	0.78
	336-395	60	458	125.4	16.20	1.00	5.74	102.0	7.27, 3.96, 0.00	125.4	0.86
	396-526	131	950	49.4	12.80	1.00	6.11	32.4	6.05, 2.17, 0.04	49.4	0.77

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

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Analysis of TLS Group 5 Chain Segments (overall rmsd_b=5.61 and residual=2.65)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-104	103	742	42.9	10.47	1.00	6.21	33.6	6.86, 1.03, 0.00	42.9	0.80
	105-184	80	565	77.2	26.21	1.00	5.89	35.6	6.99, 0.00, 2.26	77.2	0.66
	185-335	151	1140	134.7	15.85	1.00	5.35	129.7	3.18, 0.00, 0.00	134.7	0.86
	336-395	60	458	125.4	16.20	1.00	5.74	102.0	7.27, 3.96, 0.00	125.4	0.86
	396-526	131	950	49.4	12.80	1.00	6.11	32.4	6.05, 2.17, 0.04	49.4	0.77

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

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Analysis of TLS Group 6 Chain Segments (overall rmsd_b=5.29 and residual=2.36)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-104	103	742	42.9	10.47	1.00	6.21	33.6	6.86, 1.03, 0.00	42.9	0.80
	105-184	80	565	77.2	26.21	1.00	5.89	35.6	6.99, 0.00, 2.26	77.2	0.66
	185-322	138	1044	136.4	15.27	1.00	5.29	132.3	2.57, 0.00, 0.25	136.4	0.87
	323-367	45	352	132.2	12.40	1.00	3.49	98.8	0.00, 1.84, 2.81	132.2	0.89
	368-408	41	298	98.0	17.87	1.00	5.73	90.6	0.00, 6.99, 0.00	98.0	0.82
	409-526	118	854	46.6	9.66	1.00	5.79	33.7	5.28, 0.00, 2.39	46.6	0.82

Summary of Optimal TLS Group Partition using 7 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 7 Chain Segments (overall rmsd_b=4.98 and residual=2.09)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-72	71	524	42.4	10.41	1.00	5.69	35.1	10.22, 0.00, 0.00	42.4	0.81
	73-128	56	387	43.8	9.36	1.00	4.71	34.1	0.00, 5.01, 7.30	43.8	0.81
	129-203	75	552	98.5	18.38	1.00	5.33	49.7	6.74, 1.49, 0.00	98.5	0.80
	204-303	100	741	139.1	13.87	1.00	4.75	138.2	0.00, 0.97, 0.00	139.1	0.88
	304-367	64	499	135.8	12.53	1.00	3.77	129.4	3.78, 0.21, 0.00	135.8	0.89
	368-408	41	298	98.0	17.87	1.00	5.73	90.6	0.00, 6.99, 0.00	98.0	0.82
	409-526	118	854	46.6	9.66	1.00	5.79	33.7	5.28, 0.00, 2.39	46.6	0.82

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

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Analysis of TLS Group 8 Chain Segments (overall rmsd_b=4.75 and residual=1.90)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-72	71	524	42.4	10.41	1.00	5.69	35.1	10.22, 0.00, 0.00	42.4	0.81
	73-128	56	387	43.8	9.36	1.00	4.71	34.1	0.00, 5.01, 7.30	43.8	0.81
	129-203	75	552	98.5	18.38	1.00	5.33	49.7	6.74, 1.49, 0.00	98.5	0.80
	204-303	100	741	139.1	13.87	1.00	4.75	138.2	0.00, 0.97, 0.00	139.1	0.88
	304-367	64	499	135.8	12.53	1.00	3.77	129.4	3.78, 0.21, 0.00	135.8	0.89
	368-408	41	298	98.0	17.87	1.00	5.73	90.6	0.00, 6.99, 0.00	98.0	0.82
	409-482	74	525	45.8	8.00	1.00	4.99	35.5	5.75, 0.00, 2.02	45.8	0.85
	483-526	44	329	47.9	11.73	1.00	4.85	32.0	11.89, 0.00, 0.90	47.9	0.78

Summary of Optimal TLS Group Partition using 9 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 9 Chain Segments (overall rmsd_b=4.53 and residual=1.73)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-72	71	524	42.4	10.41	1.00	5.69	35.1	10.22, 0.00, 0.00	42.4	0.81
	73-128	56	387	43.8	9.36	1.00	4.71	34.1	0.00, 5.01, 7.30	43.8	0.81
	129-203	75	552	98.5	18.38	1.00	5.33	49.7	6.74, 1.49, 0.00	98.5	0.80
	204-273	70	527	145.9	9.09	1.00	3.82	145.1	0.00, 1.26, 0.00	145.9	0.93
	274-299	26	184	119.9	5.93	1.00	2.22	113.9	8.93, 3.60, 0.00	119.9	0.95
	300-367	68	529	135.9	12.20	1.00	3.80	129.2	3.92, 0.36, 0.00	135.9	0.89
	368-408	41	298	98.0	17.87	1.00	5.73	90.6	0.00, 6.99, 0.00	98.0	0.82
	409-482	74	525	45.8	8.00	1.00	4.99	35.5	5.75, 0.00, 2.02	45.8	0.85
	483-526	44	329	47.9	11.73	1.00	4.85	32.0	11.89, 0.00, 0.90	47.9	0.78

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

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Analysis of TLS Group 10 Chain Segments (overall rmsd_b=4.31 and residual=1.57)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-72	71	524	42.4	10.41	1.00	5.69	35.1	10.22, 0.00, 0.00	42.4	0.81
	73-128	56	387	43.8	9.36	1.00	4.71	34.1	0.00, 5.01, 7.30	43.8	0.81
	129-203	75	552	98.5	18.38	1.00	5.33	49.7	6.74, 1.49, 0.00	98.5	0.80
	204-273	70	527	145.9	9.09	1.00	3.82	145.1	0.00, 1.26, 0.00	145.9	0.93
	274-299	26	184	119.9	5.93	1.00	2.22	113.9	8.93, 3.60, 0.00	119.9	0.95
	300-356	57	433	137.0	12.91	1.00	3.52	130.9	0.00, 4.44, 0.00	137.0	0.88
	357-388	32	238	118.4	12.04	1.00	2.77	100.9	3.08, 0.52, 0.00	118.4	0.91
	389-413	25	188	81.0	21.67	1.00	3.05	75.3	0.00, 14.09, 0.00	81.0	0.73
	414-482	69	493	45.5	8.01	1.00	5.03	35.0	6.65, 0.00, 2.63	45.5	0.85
	483-526	44	329	47.9	11.73	1.00	4.85	32.0	11.89, 0.00, 0.90	47.9	0.78

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

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Analysis of TLS Group 11 Chain Segments (overall rmsd_b=4.09 and residual=1.41)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-72	71	524	42.4	10.41	1.00	5.69	35.1	10.22, 0.00, 0.00	42.4	0.81
	73-150	78	543	53.1	17.57	1.00	5.21	33.1	0.00, 4.68, 8.93	53.1	0.69
	151-183	33	231	100.5	9.74	1.00	3.72	86.4	5.79, 0.00, 2.66	100.5	0.90
	184-218	35	279	124.6	12.07	1.00	3.58	101.2	3.25, 0.00, 0.00	124.6	0.89
	219-272	54	406	148.8	8.20	1.00	3.75	147.8	1.85, 0.00, 0.00	148.8	0.94
	273-303	31	221	123.0	8.94	1.00	2.83	116.2	8.39, 3.39, 0.00	123.0	0.92
	304-360	57	436	137.0	12.91	1.00	3.44	131.0	3.73, 0.02, 0.00	137.0	0.88
	361-388	28	205	115.4	9.83	1.00	2.85	101.7	3.30, 0.62, 0.00	115.4	0.92
	389-413	25	188	81.0	21.67	1.00	3.05	75.3	0.00, 14.09, 0.00	81.0	0.73
	414-482	69	493	45.5	8.01	1.00	5.03	35.0	6.65, 0.00, 2.63	45.5	0.85
	483-526	44	329	47.9	11.73	1.00	4.85	32.0	11.89, 0.00, 0.90	47.9	0.78

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

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Analysis of TLS Group 12 Chain Segments (overall rmsd_b=3.91 and residual=1.29)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-72	71	524	42.4	10.41	1.00	5.69	35.1	10.22, 0.00, 0.00	42.4	0.81
	73-150	78	543	53.1	17.57	1.00	5.21	33.1	0.00, 4.68, 8.93	53.1	0.69
	151-183	33	231	100.5	9.74	1.00	3.72	86.4	5.79, 0.00, 2.66	100.5	0.90
	184-218	35	279	124.6	12.07	1.00	3.58	101.2	3.25, 0.00, 0.00	124.6	0.89
	219-272	54	406	148.8	8.20	1.00	3.75	147.8	1.85, 0.00, 0.00	148.8	0.94
	273-303	31	221	123.0	8.94	1.00	2.83	116.2	8.39, 3.39, 0.00	123.0	0.92
	304-360	57	436	137.0	12.91	1.00	3.44	131.0	3.73, 0.02, 0.00	137.0	0.88
	361-388	28	205	115.4	9.83	1.00	2.85	101.7	3.30, 0.62, 0.00	115.4	0.92
	389-413	25	188	81.0	21.67	1.00	3.05	75.3	0.00, 14.09, 0.00	81.0	0.73
	414-450	37	262	45.2	8.03	1.00	4.46	35.6	19.20, 0.00, 2.39	45.2	0.84
	451-494	44	325	48.4	8.54	1.00	4.19	35.1	0.00, 7.47, 7.99	48.4	0.83
	495-526	32	235	45.0	12.24	1.00	4.63	36.2	0.00, 18.87, 0.00	45.0	0.78

Summary of Optimal TLS Group Partition using 13 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 13 Chain Segments (overall rmsd_b=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	43.4	6.74	1.00	4.72	39.1	0.00, 18.06, 0.00	43.4	0.88
	18-72	55	409	42.2	11.22	1.00	5.02	32.5	9.94, 1.57, 0.00	42.2	0.77
	73-150	78	543	53.1	17.57	1.00	5.21	33.1	0.00, 4.68, 8.93	53.1	0.69
	151-183	33	231	100.5	9.74	1.00	3.72	86.4	5.79, 0.00, 2.66	100.5	0.90
	184-218	35	279	124.6	12.07	1.00	3.58	101.2	3.25, 0.00, 0.00	124.6	0.89
	219-272	54	406	148.8	8.20	1.00	3.75	147.8	1.85, 0.00, 0.00	148.8	0.94
	273-303	31	221	123.0	8.94	1.00	2.83	116.2	8.39, 3.39, 0.00	123.0	0.92
	304-360	57	436	137.0	12.91	1.00	3.44	131.0	3.73, 0.02, 0.00	137.0	0.88
	361-388	28	205	115.4	9.83	1.00	2.85	101.7	3.30, 0.62, 0.00	115.4	0.92
	389-413	25	188	81.0	21.67	1.00	3.05	75.3	0.00, 14.09, 0.00	81.0	0.73
	414-450	37	262	45.2	8.03	1.00	4.46	35.6	19.20, 0.00, 2.39	45.2	0.84
	451-494	44	325	48.4	8.54	1.00	4.19	35.1	0.00, 7.47, 7.99	48.4	0.83
	495-526	32	235	45.0	12.24	1.00	4.63	36.2	0.00, 18.87, 0.00	45.0	0.78

Summary of Optimal TLS Group Partition using 14 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 14 Chain Segments (overall rmsd_b=3.58 and residual=1.08)
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	43.4	6.74	1.00	4.72	39.1	0.00, 18.06, 0.00	43.4	0.88
	18-72	55	409	42.2	11.22	1.00	5.02	32.5	9.94, 1.57, 0.00	42.2	0.77
	73-128	56	387	43.8	9.36	1.00	4.71	34.1	0.00, 5.01, 7.30	43.8	0.81
	129-152	24	167	77.0	10.57	1.00	3.24	61.3	16.73, 3.23, 0.00	77.0	0.84
	153-183	31	220	101.1	9.60	1.00	3.50	82.4	8.15, 0.00, 0.83	101.1	0.91
	184-218	35	279	124.6	12.07	1.00	3.58	101.2	3.25, 0.00, 0.00	124.6	0.89
	219-272	54	406	148.8	8.20	1.00	3.75	147.8	1.85, 0.00, 0.00	148.8	0.94
	273-303	31	221	123.0	8.94	1.00	2.83	116.2	8.39, 3.39, 0.00	123.0	0.92
	304-360	57	436	137.0	12.91	1.00	3.44	131.0	3.73, 0.02, 0.00	137.0	0.88
	361-388	28	205	115.4	9.83	1.00	2.85	101.7	3.30, 0.62, 0.00	115.4	0.92
	389-413	25	188	81.0	21.67	1.00	3.05	75.3	0.00, 14.09, 0.00	81.0	0.73
	414-450	37	262	45.2	8.03	1.00	4.46	35.6	19.20, 0.00, 2.39	45.2	0.84
	451-494	44	325	48.4	8.54	1.00	4.19	35.1	0.00, 7.47, 7.99	48.4	0.83
	495-526	32	235	45.0	12.24	1.00	4.63	36.2	0.00, 18.87, 0.00	45.0	0.78

Summary of Optimal TLS Group Partition using 15 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 15 Chain Segments (overall rmsd_b=3.45 and residual=1.00)
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	43.4	6.74	1.00	4.72	39.1	0.00, 18.06, 0.00	43.4	0.88
	18-67	50	375	42.8	11.50	1.00	5.00	33.0	9.62, 2.17, 0.00	42.8	0.76
	68-99	32	216	43.5	10.73	1.00	3.61	41.4	0.00, 5.50, 0.00	43.5	0.75
	100-128	29	205	42.7	7.44	1.00	3.82	32.3	20.19, 2.65, 0.00	42.7	0.84
	129-152	24	167	77.0	10.57	1.00	3.24	61.3	16.73, 3.23, 0.00	77.0	0.84
	153-183	31	220	101.1	9.60	1.00	3.50	82.4	8.15, 0.00, 0.83	101.1	0.91
	184-218	35	279	124.6	12.07	1.00	3.58	101.2	3.25, 0.00, 0.00	124.6	0.89
	219-272	54	406	148.8	8.20	1.00	3.75	147.8	1.85, 0.00, 0.00	148.8	0.94
	273-303	31	221	123.0	8.94	1.00	2.83	116.2	8.39, 3.39, 0.00	123.0	0.92
	304-360	57	436	137.0	12.91	1.00	3.44	131.0	3.73, 0.02, 0.00	137.0	0.88
	361-388	28	205	115.4	9.83	1.00	2.85	101.7	3.30, 0.62, 0.00	115.4	0.92
	389-413	25	188	81.0	21.67	1.00	3.05	75.3	0.00, 14.09, 0.00	81.0	0.73
	414-450	37	262	45.2	8.03	1.00	4.46	35.6	19.20, 0.00, 2.39	45.2	0.84
	451-494	44	325	48.4	8.54	1.00	4.19	35.1	0.00, 7.47, 7.99	48.4	0.83
	495-526	32	235	45.0	12.24	1.00	4.63	36.2	0.00, 18.87, 0.00	45.0	0.78

Summary of Optimal TLS Group Partition using 16 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 16 Chain Segments (overall rmsd_b=3.32 and residual=0.93)
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	43.4	6.74	1.00	4.72	39.1	0.00, 18.06, 0.00	43.4	0.88
	18-67	50	375	42.8	11.50	1.00	5.00	33.0	9.62, 2.17, 0.00	42.8	0.76
	68-99	32	216	43.5	10.73	1.00	3.61	41.4	0.00, 5.50, 0.00	43.5	0.75
	100-128	29	205	42.7	7.44	1.00	3.82	32.3	20.19, 2.65, 0.00	42.7	0.84
	129-152	24	167	77.0	10.57	1.00	3.24	61.3	16.73, 3.23, 0.00	77.0	0.84
	153-183	31	220	101.1	9.60	1.00	3.50	82.4	8.15, 0.00, 0.83	101.1	0.91
	184-218	35	279	124.6	12.07	1.00	3.58	101.2	3.25, 0.00, 0.00	124.6	0.89
	219-272	54	406	148.8	8.20	1.00	3.75	147.8	1.85, 0.00, 0.00	148.8	0.94
	273-303	31	221	123.0	8.94	1.00	2.83	116.2	8.39, 3.39, 0.00	123.0	0.92
	304-360	57	436	137.0	12.91	1.00	3.44	131.0	3.73, 0.02, 0.00	137.0	0.88
	361-388	28	205	115.4	9.83	1.00	2.85	101.7	3.30, 0.62, 0.00	115.4	0.92
	389-413	25	188	81.0	21.67	1.00	3.05	75.3	0.00, 14.09, 0.00	81.0	0.73
	414-448	35	250	45.7	7.89	1.00	4.39	36.6	21.80, 0.00, 2.91	45.7	0.85
	449-482	34	243	45.3	8.12	1.00	3.70	30.7	0.00, 4.49, 9.38	45.3	0.83
	483-514	32	238	47.7	8.15	1.00	3.11	6.7	6.70, 0.00, 0.57	47.7	0.82
	515-526	12	91	48.4	17.98	1.00	3.50	28.9	19.21, 6.50, 0.00	48.4	0.65

Summary of Optimal TLS Group Partition using 17 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 17 Chain Segments (overall rmsd_b=3.19 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	43.4	6.74	1.00	4.72	39.1	0.00, 18.06, 0.00	43.4	0.88
	18-67	50	375	42.8	11.50	1.00	5.00	33.0	9.62, 2.17, 0.00	42.8	0.76
	68-99	32	216	43.5	10.73	1.00	3.61	41.4	0.00, 5.50, 0.00	43.5	0.75
	100-128	29	205	42.7	7.44	1.00	3.82	32.3	20.19, 2.65, 0.00	42.7	0.84
	129-152	24	167	77.0	10.57	1.00	3.24	61.3	16.73, 3.23, 0.00	77.0	0.84
	153-179	27	197	98.7	6.74	1.00	3.58	86.1	8.49, 0.00, 1.37	98.7	0.93
	180-201	22	169	115.5	7.19	1.00	2.02	99.3	5.40, 0.00, 0.93	115.5	0.93
	202-227	26	207	137.1	3.61	1.00	1.70	130.0	2.66, 1.29, 0.00	137.1	0.97
	228-273	46	339	150.6	7.66	1.00	3.89	149.7	0.00, 1.94, 0.00	150.6	0.94
	274-299	26	184	119.9	5.93	1.00	2.22	113.9	8.93, 3.60, 0.00	119.9	0.95
	300-356	57	433	137.0	12.91	1.00	3.52	130.9	0.00, 4.44, 0.00	137.0	0.88
	357-388	32	238	118.4	12.04	1.00	2.77	100.9	3.08, 0.52, 0.00	118.4	0.91
	389-413	25	188	81.0	21.67	1.00	3.05	75.3	0.00, 14.09, 0.00	81.0	0.73
	414-448	35	250	45.7	7.89	1.00	4.39	36.6	21.80, 0.00, 2.91	45.7	0.85
	449-482	34	243	45.3	8.12	1.00	3.70	30.7	0.00, 4.49, 9.38	45.3	0.83
	483-514	32	238	47.7	8.15	1.00	3.11	6.7	6.70, 0.00, 0.57	47.7	0.82
	515-526	12	91	48.4	17.98	1.00	3.50	28.9	19.21, 6.50, 0.00	48.4	0.65

Summary of Optimal TLS Group Partition using 18 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 18 Chain Segments (overall rmsd_b=3.10 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>
	2-17	16	115	43.4	6.74	1.00	4.72	39.1	0.00, 18.06, 0.00	43.4	0.88
	18-53	36	259	42.0	12.34	1.00	4.59	32.7	9.77, 0.00, 2.61	42.0	0.74
	54-74	21	165	42.6	8.53	1.00	3.94	32.0	26.22, 5.94, 0.00	42.6	0.82
	75-99	25	167	45.2	11.45	1.00	2.89	23.0	6.29, 0.00, 1.19	45.2	0.75
	100-128	29	205	42.7	7.44	1.00	3.82	32.3	20.19, 2.65, 0.00	42.7	0.84
	129-152	24	167	77.0	10.57	1.00	3.24	61.3	16.73, 3.23, 0.00	77.0	0.84
	153-179	27	197	98.7	6.74	1.00	3.58	86.1	8.49, 0.00, 1.37	98.7	0.93
	180-201	22	169	115.5	7.19	1.00	2.02	99.3	5.40, 0.00, 0.93	115.5	0.93
	202-227	26	207	137.1	3.61	1.00	1.70	130.0	2.66, 1.29, 0.00	137.1	0.97
	228-273	46	339	150.6	7.66	1.00	3.89	149.7	0.00, 1.94, 0.00	150.6	0.94
	274-299	26	184	119.9	5.93	1.00	2.22	113.9	8.93, 3.60, 0.00	119.9	0.95
	300-356	57	433	137.0	12.91	1.00	3.52	130.9	0.00, 4.44, 0.00	137.0	0.88
	357-388	32	238	118.4	12.04	1.00	2.77	100.9	3.08, 0.52, 0.00	118.4	0.91
	389-413	25	188	81.0	21.67	1.00	3.05	75.3	0.00, 14.09, 0.00	81.0	0.73
	414-448	35	250	45.7	7.89	1.00	4.39	36.6	21.80, 0.00, 2.91	45.7	0.85
	449-482	34	243	45.3	8.12	1.00	3.70	30.7	0.00, 4.49, 9.38	45.3	0.83
	483-514	32	238	47.7	8.15	1.00	3.11	6.7	6.70, 0.00, 0.57	47.7	0.82
	515-526	12	91	48.4	17.98	1.00	3.50	28.9	19.21, 6.50, 0.00	48.4	0.65

Summary of Optimal TLS Group Partition using 19 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 19 Chain Segments (overall rmsd_b=3.00 and residual=0.76)
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	43.4	6.74	1.00	4.72	39.1	0.00, 18.06, 0.00	43.4	0.88
	18-53	36	259	42.0	12.34	1.00	4.59	32.7	9.77, 0.00, 2.61	42.0	0.74
	54-74	21	165	42.6	8.53	1.00	3.94	32.0	26.22, 5.94, 0.00	42.6	0.82
	75-99	25	167	45.2	11.45	1.00	2.89	23.0	6.29, 0.00, 1.19	45.2	0.75
	100-128	29	205	42.7	7.44	1.00	3.82	32.3	20.19, 2.65, 0.00	42.7	0.84
	129-152	24	167	77.0	10.57	1.00	3.24	61.3	16.73, 3.23, 0.00	77.0	0.84
	153-179	27	197	98.7	6.74	1.00	3.58	86.1	8.49, 0.00, 1.37	98.7	0.93
	180-201	22	169	115.5	7.19	1.00	2.02	99.3	5.40, 0.00, 0.93	115.5	0.93
	202-227	26	207	137.1	3.61	1.00	1.70	130.0	2.66, 1.29, 0.00	137.1	0.97
	228-273	46	339	150.6	7.66	1.00	3.89	149.7	0.00, 1.94, 0.00	150.6	0.94
	274-299	26	184	119.9	5.93	1.00	2.22	113.9	8.93, 3.60, 0.00	119.9	0.95
	300-356	57	433	137.0	12.91	1.00	3.52	130.9	0.00, 4.44, 0.00	137.0	0.88
	357-388	32	238	118.4	12.04	1.00	2.77	100.9	3.08, 0.52, 0.00	118.4	0.91
	389-401	13	107	95.6	15.48	1.00	2.62	48.9	7.24, 2.29, 0.00	95.6	0.83
	402-423	22	144	54.2	11.92	1.00	2.26	41.5	8.77, 1.31, 0.00	54.2	0.80
	424-447	24	178	46.1	8.98	1.00	3.63	33.9	21.04, 0.00, 5.95	46.1	0.83
	448-482	35	252	45.2	8.07	1.00	3.73	30.0	0.00, 4.11, 10.12	45.2	0.83
	483-514	32	238	47.7	8.15	1.00	3.11	6.7	6.70, 0.00, 0.57	47.7	0.82
	515-526	12	91	48.4	17.98	1.00	3.50	28.9	19.21, 6.50, 0.00	48.4	0.65

Summary of Optimal TLS Group Partition using 20 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 20 Chain Segments (overall rmsd_b=2.92 and residual=0.72)
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	43.4	6.74	1.00	4.72	39.1	0.00, 18.06, 0.00	43.4	0.88
	18-53	36	259	42.0	12.34	1.00	4.59	32.7	9.77, 0.00, 2.61	42.0	0.74
	54-74	21	165	42.6	8.53	1.00	3.94	32.0	26.22, 5.94, 0.00	42.6	0.82
	75-99	25	167	45.2	11.45	1.00	2.89	23.0	6.29, 0.00, 1.19	45.2	0.75
	100-128	29	205	42.7	7.44	1.00	3.82	32.3	20.19, 2.65, 0.00	42.7	0.84
	129-152	24	167	77.0	10.57	1.00	3.24	61.3	16.73, 3.23, 0.00	77.0	0.84
	153-179	27	197	98.7	6.74	1.00	3.58	86.1	8.49, 0.00, 1.37	98.7	0.93
	180-201	22	169	115.5	7.19	1.00	2.02	99.3	5.40, 0.00, 0.93	115.5	0.93
	202-227	26	207	137.1	3.61	1.00	1.70	130.0	2.66, 1.29, 0.00	137.1	0.97
	228-272	45	332	150.8	7.65	1.00	3.88	150.0	0.00, 1.71, 0.00	150.8	0.94
	273-303	31	221	123.0	8.94	1.00	2.83	116.2	8.39, 3.39, 0.00	123.0	0.92
	304-322	19	147	144.5	7.67	1.00	2.33	144.1	1.27, 0.00, 0.00	144.5	0.94
	323-356	34	256	132.6	14.00	1.00	2.75	129.8	4.22, 0.26, 0.00	132.6	0.87
	357-388	32	238	118.4	12.04	1.00	2.77	100.9	3.08, 0.52, 0.00	118.4	0.91
	389-401	13	107	95.6	15.48	1.00	2.62	48.9	7.24, 2.29, 0.00	95.6	0.83
	402-423	22	144	54.2	11.92	1.00	2.26	41.5	8.77, 1.31, 0.00	54.2	0.80
	424-447	24	178	46.1	8.98	1.00	3.63	33.9	21.04, 0.00, 5.95	46.1	0.83
	448-482	35	252	45.2	8.07	1.00	3.73	30.0	0.00, 4.11, 10.12	45.2	0.83
	483-514	32	238	47.7	8.15	1.00	3.11	6.7	6.70, 0.00, 0.57	47.7	0.82
	515-526	12	91	48.4	17.98	1.00	3.50	28.9	19.21, 6.50, 0.00	48.4	0.65

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1 Released 11 February 2010