1KP8: Chain I TLS Analysis

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1

1KP8: Chain I TLS Analysis

Chain I 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 I

# 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=12.32 and residual=12.77)
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	76.4	34.80	1.00	12.53	61.9	4.27, 0.00, 0.16	76.4	0.60

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=9.12 and residual=7.00)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-137	136	979	43.3	10.80	1.00	6.89	34.5	4.00, 1.42, 0.00	43.3	0.81
	138-526	389	2876	87.6	32.95	1.00	11.99	72.5	4.56, 0.00, 0.25	87.6	0.65

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=6.64 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>
	2-138	137	985	43.5	11.03	1.00	6.89	34.5	4.00, 1.47, 0.00	43.5	0.81
	139-398	260	1944	107.2	18.69	1.00	7.39	77.7	0.00, 1.85, 6.13	107.2	0.81
	399-526	128	926	46.5	11.70	1.00	5.65	30.0	6.13, 1.91, 0.86	46.5	0.78

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=6.15 and residual=3.18)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-129	128	920	42.4	10.44	1.00	6.92	33.6	3.96, 1.63, 0.00	42.4	0.82
	130-301	172	1269	103.7	22.25	1.00	7.22	84.8	3.20, 0.00, 0.45	103.7	0.77
	302-398	97	740	109.0	15.94	1.00	5.66	80.8	0.51, 1.67, 4.73	109.0	0.85
	399-526	128	926	46.5	11.70	1.00	5.65	30.0	6.13, 1.91, 0.86	46.5	0.78

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=5.58 and residual=2.62)
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	42.5	10.77	1.00	6.40	34.3	6.37, 1.15, 0.00	42.5	0.80
	105-184	80	565	67.3	20.99	1.00	6.32	33.8	8.67, 0.00, 2.02	67.3	0.69
	185-334	150	1136	114.2	15.57	1.00	5.47	82.7	0.00, 2.47, 3.39	114.2	0.84
	335-398	64	486	107.1	16.18	1.00	6.04	83.5	0.00, 7.27, 5.07	107.1	0.84
	399-526	128	926	46.5	11.70	1.00	5.65	30.0	6.13, 1.91, 0.86	46.5	0.78

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=5.25 and residual=2.32)
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	42.8	10.36	1.00	5.62	35.8	0.00, 10.87, 0.00	42.8	0.81
	79-150	72	498	49.2	15.49	1.00	5.27	29.4	4.36, 0.00, 12.73	49.2	0.70
	151-203	53	396	90.7	10.41	1.00	5.06	77.3	1.52, 2.59, 5.84	90.7	0.89
	204-301	98	726	118.3	14.50	1.00	5.12	84.6	0.00, 1.71, 2.91	118.3	0.86
	302-398	97	740	109.0	15.94	1.00	5.66	80.8	0.51, 1.67, 4.73	109.0	0.85
	399-526	128	926	46.5	11.70	1.00	5.65	30.0	6.13, 1.91, 0.86	46.5	0.78

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=4.92 and residual=2.04)
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	42.8	10.36	1.00	5.62	35.8	0.00, 10.87, 0.00	42.8	0.81
	79-150	72	498	49.2	15.49	1.00	5.27	29.4	4.36, 0.00, 12.73	49.2	0.70
	151-203	53	396	90.7	10.41	1.00	5.06	77.3	1.52, 2.59, 5.84	90.7	0.89
	204-303	100	741	118.4	14.39	1.00	5.13	82.9	0.00, 2.17, 2.84	118.4	0.86
	304-368	65	510	115.5	12.74	1.00	4.32	94.3	4.50, 1.55, 0.39	115.5	0.88
	369-413	45	319	82.3	18.02	1.00	5.55	75.2	0.00, 7.71, 0.00	82.3	0.77
	414-526	113	822	44.6	10.38	1.00	5.39	30.4	0.00, 2.95, 5.86	44.6	0.79

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=4.71 and residual=1.87)
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	42.8	10.36	1.00	5.62	35.8	0.00, 10.87, 0.00	42.8	0.81
	79-150	72	498	49.2	15.49	1.00	5.27	29.4	4.36, 0.00, 12.73	49.2	0.70
	151-183	33	231	85.4	8.00	1.00	4.02	75.2	0.00, 5.46, 7.66	85.4	0.91
	184-209	26	217	103.2	11.95	1.00	3.06	95.2	9.37, 0.00, 0.40	103.2	0.86
	210-283	74	540	122.2	13.69	1.00	4.64	37.3	5.35, 0.00, 1.05	122.2	0.87
	284-368	85	659	112.9	12.96	1.00	4.84	95.5	1.29, 3.43, 5.06	112.9	0.88
	369-413	45	319	82.3	18.02	1.00	5.55	75.2	0.00, 7.71, 0.00	82.3	0.77
	414-526	113	822	44.6	10.38	1.00	5.39	30.4	0.00, 2.95, 5.86	44.6	0.79

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=4.51 and residual=1.72)
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	42.8	10.36	1.00	5.62	35.8	0.00, 10.87, 0.00	42.8	0.81
	79-150	72	498	49.2	15.49	1.00	5.27	29.4	4.36, 0.00, 12.73	49.2	0.70
	151-183	33	231	85.4	8.00	1.00	4.02	75.2	0.00, 5.46, 7.66	85.4	0.91
	184-209	26	217	103.2	11.95	1.00	3.06	95.2	9.37, 0.00, 0.40	103.2	0.86
	210-283	74	540	122.2	13.69	1.00	4.64	37.3	5.35, 0.00, 1.05	122.2	0.87
	284-368	85	659	112.9	12.96	1.00	4.84	95.5	1.29, 3.43, 5.06	112.9	0.88
	369-413	45	319	82.3	18.02	1.00	5.55	75.2	0.00, 7.71, 0.00	82.3	0.77
	414-482	69	493	43.4	7.92	1.00	4.63	31.9	7.71, 0.00, 3.22	43.4	0.84
	483-526	44	329	46.4	13.02	1.00	4.66	32.4	0.00, 1.89, 10.95	46.4	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

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Analysis of TLS Group 10 Chain Segments (overall rmsd_b=4.33 and residual=1.58)
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	42.8	10.36	1.00	5.62	35.8	0.00, 10.87, 0.00	42.8	0.81
	79-150	72	498	49.2	15.49	1.00	5.27	29.4	4.36, 0.00, 12.73	49.2	0.70
	151-183	33	231	85.4	8.00	1.00	4.02	75.2	0.00, 5.46, 7.66	85.4	0.91
	184-209	26	217	103.2	11.95	1.00	3.06	95.2	9.37, 0.00, 0.40	103.2	0.86
	210-283	74	540	122.2	13.69	1.00	4.64	37.3	5.35, 0.00, 1.05	122.2	0.87
	284-347	64	475	108.9	12.40	1.00	4.04	92.3	1.54, 3.64, 5.22	108.9	0.88
	348-377	30	238	115.9	15.74	1.00	4.15	113.6	8.32, 0.00, 0.00	115.9	0.85
	378-402	25	189	89.8	12.65	1.00	4.04	88.3	6.71, 0.00, 0.00	89.8	0.85
	403-482	80	569	45.3	9.71	1.00	4.81	35.1	6.99, 2.92, 0.00	45.3	0.83
	483-526	44	329	46.4	13.02	1.00	4.66	32.4	0.00, 1.89, 10.95	46.4	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

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Analysis of TLS Group 11 Chain Segments (overall rmsd_b=4.14 and residual=1.44)
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	42.8	10.36	1.00	5.62	35.8	0.00, 10.87, 0.00	42.8	0.81
	79-150	72	498	49.2	15.49	1.00	5.27	29.4	4.36, 0.00, 12.73	49.2	0.70
	151-183	33	231	85.4	8.00	1.00	4.02	75.2	0.00, 5.46, 7.66	85.4	0.91
	184-209	26	217	103.2	11.95	1.00	3.06	95.2	9.37, 0.00, 0.40	103.2	0.86
	210-283	74	540	122.2	13.69	1.00	4.64	37.3	5.35, 0.00, 1.05	122.2	0.87
	284-347	64	475	108.9	12.40	1.00	4.04	92.3	1.54, 3.64, 5.22	108.9	0.88
	348-377	30	238	115.9	15.74	1.00	4.15	113.6	8.32, 0.00, 0.00	115.9	0.85
	378-400	23	174	91.5	11.51	1.00	3.80	89.9	7.02, 0.00, 0.00	91.5	0.87
	401-444	44	308	48.1	11.37	1.00	4.01	35.9	11.54, 0.00, 2.41	48.1	0.78
	445-482	38	276	43.6	8.55	1.00	3.46	21.3	11.44, 0.00, 2.63	43.6	0.81
	483-526	44	329	46.4	13.02	1.00	4.66	32.4	0.00, 1.89, 10.95	46.4	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

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Analysis of TLS Group 12 Chain Segments (overall rmsd_b=4.01 and residual=1.35)
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	42.8	10.36	1.00	5.62	35.8	0.00, 10.87, 0.00	42.8	0.81
	79-150	72	498	49.2	15.49	1.00	5.27	29.4	4.36, 0.00, 12.73	49.2	0.70
	151-183	33	231	85.4	8.00	1.00	4.02	75.2	0.00, 5.46, 7.66	85.4	0.91
	184-209	26	217	103.2	11.95	1.00	3.06	95.2	9.37, 0.00, 0.40	103.2	0.86
	210-272	63	468	125.7	10.71	1.00	4.08	57.6	3.26, 1.19, 0.00	125.7	0.90
	273-299	27	191	100.1	6.72	1.00	3.93	96.0	0.00, 10.29, 0.00	100.1	0.94
	300-353	54	410	113.4	12.78	1.00	3.93	94.6	6.43, 0.00, 2.80	113.4	0.87
	354-377	24	184	113.4	16.87	1.00	3.19	111.5	9.77, 0.00, 0.00	113.4	0.84
	378-400	23	174	91.5	11.51	1.00	3.80	89.9	7.02, 0.00, 0.00	91.5	0.87
	401-444	44	308	48.1	11.37	1.00	4.01	35.9	11.54, 0.00, 2.41	48.1	0.78
	445-482	38	276	43.6	8.55	1.00	3.46	21.3	11.44, 0.00, 2.63	43.6	0.81
	483-526	44	329	46.4	13.02	1.00	4.66	32.4	0.00, 1.89, 10.95	46.4	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

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Analysis of TLS Group 13 Chain Segments (overall rmsd_b=3.89 and residual=1.27)
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	41.5	7.11	1.00	4.93	36.7	0.00, 19.70, 0.00	41.5	0.87
	18-78	61	454	43.2	11.00	1.00	5.07	34.0	10.26, 2.65, 0.00	43.2	0.78
	79-150	72	498	49.2	15.49	1.00	5.27	29.4	4.36, 0.00, 12.73	49.2	0.70
	151-183	33	231	85.4	8.00	1.00	4.02	75.2	0.00, 5.46, 7.66	85.4	0.91
	184-209	26	217	103.2	11.95	1.00	3.06	95.2	9.37, 0.00, 0.40	103.2	0.86
	210-272	63	468	125.7	10.71	1.00	4.08	57.6	3.26, 1.19, 0.00	125.7	0.90
	273-299	27	191	100.1	6.72	1.00	3.93	96.0	0.00, 10.29, 0.00	100.1	0.94
	300-353	54	410	113.4	12.78	1.00	3.93	94.6	6.43, 0.00, 2.80	113.4	0.87
	354-377	24	184	113.4	16.87	1.00	3.19	111.5	9.77, 0.00, 0.00	113.4	0.84
	378-400	23	174	91.5	11.51	1.00	3.80	89.9	7.02, 0.00, 0.00	91.5	0.87
	401-444	44	308	48.1	11.37	1.00	4.01	35.9	11.54, 0.00, 2.41	48.1	0.78
	445-482	38	276	43.6	8.55	1.00	3.46	21.3	11.44, 0.00, 2.63	43.6	0.81
	483-526	44	329	46.4	13.02	1.00	4.66	32.4	0.00, 1.89, 10.95	46.4	0.75

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=3.77 and residual=1.20)
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	41.5	7.11	1.00	4.93	36.7	0.00, 19.70, 0.00	41.5	0.87
	18-69	52	391	43.0	11.32	1.00	4.95	33.7	9.40, 1.79, 0.00	43.0	0.76
	70-87	18	121	50.5	9.59	1.00	4.51	48.1	0.00, 20.33, 0.00	50.5	0.80
	88-150	63	440	48.2	16.09	1.00	5.20	28.5	0.00, 4.43, 11.31	48.2	0.68
	151-183	33	231	85.4	8.00	1.00	4.02	75.2	0.00, 5.46, 7.66	85.4	0.91
	184-209	26	217	103.2	11.95	1.00	3.06	95.2	9.37, 0.00, 0.40	103.2	0.86
	210-272	63	468	125.7	10.71	1.00	4.08	57.6	3.26, 1.19, 0.00	125.7	0.90
	273-299	27	191	100.1	6.72	1.00	3.93	96.0	0.00, 10.29, 0.00	100.1	0.94
	300-353	54	410	113.4	12.78	1.00	3.93	94.6	6.43, 0.00, 2.80	113.4	0.87
	354-377	24	184	113.4	16.87	1.00	3.19	111.5	9.77, 0.00, 0.00	113.4	0.84
	378-400	23	174	91.5	11.51	1.00	3.80	89.9	7.02, 0.00, 0.00	91.5	0.87
	401-444	44	308	48.1	11.37	1.00	4.01	35.9	11.54, 0.00, 2.41	48.1	0.78
	445-482	38	276	43.6	8.55	1.00	3.46	21.3	11.44, 0.00, 2.63	43.6	0.81
	483-526	44	329	46.4	13.02	1.00	4.66	32.4	0.00, 1.89, 10.95	46.4	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

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Analysis of TLS Group 15 Chain Segments (overall rmsd_b=3.66 and residual=1.13)
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	41.5	7.11	1.00	4.93	36.7	0.00, 19.70, 0.00	41.5	0.87
	18-69	52	391	43.0	11.32	1.00	4.95	33.7	9.40, 1.79, 0.00	43.0	0.76
	70-87	18	121	50.5	9.59	1.00	4.51	48.1	0.00, 20.33, 0.00	50.5	0.80
	88-150	63	440	48.2	16.09	1.00	5.20	28.5	0.00, 4.43, 11.31	48.2	0.68
	151-178	28	200	83.5	6.61	1.00	3.70	72.8	0.00, 11.55, 5.75	83.5	0.93
	179-200	22	171	95.8	5.36	1.00	3.04	89.9	3.68, 1.80, 0.00	95.8	0.94
	201-226	26	205	116.8	5.02	1.00	2.22	111.3	6.18, 0.36, 0.00	116.8	0.95
	227-272	46	340	129.3	10.09	1.00	4.20	127.9	0.00, 2.08, 0.00	129.3	0.91
	273-299	27	191	100.1	6.72	1.00	3.93	96.0	0.00, 10.29, 0.00	100.1	0.94
	300-353	54	410	113.4	12.78	1.00	3.93	94.6	6.43, 0.00, 2.80	113.4	0.87
	354-377	24	184	113.4	16.87	1.00	3.19	111.5	9.77, 0.00, 0.00	113.4	0.84
	378-400	23	174	91.5	11.51	1.00	3.80	89.9	7.02, 0.00, 0.00	91.5	0.87
	401-444	44	308	48.1	11.37	1.00	4.01	35.9	11.54, 0.00, 2.41	48.1	0.78
	445-482	38	276	43.6	8.55	1.00	3.46	21.3	11.44, 0.00, 2.63	43.6	0.81
	483-526	44	329	46.4	13.02	1.00	4.66	32.4	0.00, 1.89, 10.95	46.4	0.75

Summary of Optimal TLS Group Partition using 16 Groups
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Analysis of TLS Group 16 Chain Segments (overall rmsd_b=3.54 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>
	2-17	16	115	41.5	7.11	1.00	4.93	36.7	0.00, 19.70, 0.00	41.5	0.87
	18-69	52	391	43.0	11.32	1.00	4.95	33.7	9.40, 1.79, 0.00	43.0	0.76
	70-87	18	121	50.5	9.59	1.00	4.51	48.1	0.00, 20.33, 0.00	50.5	0.80
	88-150	63	440	48.2	16.09	1.00	5.20	28.5	0.00, 4.43, 11.31	48.2	0.68
	151-178	28	200	83.5	6.61	1.00	3.70	72.8	0.00, 11.55, 5.75	83.5	0.93
	179-200	22	171	95.8	5.36	1.00	3.04	89.9	3.68, 1.80, 0.00	95.8	0.94
	201-226	26	205	116.8	5.02	1.00	2.22	111.3	6.18, 0.36, 0.00	116.8	0.95
	227-272	46	340	129.3	10.09	1.00	4.20	127.9	0.00, 2.08, 0.00	129.3	0.91
	273-299	27	191	100.1	6.72	1.00	3.93	96.0	0.00, 10.29, 0.00	100.1	0.94
	300-353	54	410	113.4	12.78	1.00	3.93	94.6	6.43, 0.00, 2.80	113.4	0.87
	354-377	24	184	113.4	16.87	1.00	3.19	111.5	9.77, 0.00, 0.00	113.4	0.84
	378-400	23	174	91.5	11.51	1.00	3.80	89.9	7.02, 0.00, 0.00	91.5	0.87
	401-444	44	308	48.1	11.37	1.00	4.01	35.9	11.54, 0.00, 2.41	48.1	0.78
	445-482	38	276	43.6	8.55	1.00	3.46	21.3	11.44, 0.00, 2.63	43.6	0.81
	483-513	31	230	45.4	9.11	1.00	3.29	24.2	0.00, 6.53, 2.44	45.4	0.81
	514-526	13	99	48.9	19.03	1.00	3.50	29.9	34.36, 9.67, 0.00	48.9	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=3.45 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	41.5	7.11	1.00	4.93	36.7	0.00, 19.70, 0.00	41.5	0.87
	18-69	52	391	43.0	11.32	1.00	4.95	33.7	9.40, 1.79, 0.00	43.0	0.76
	70-87	18	121	50.5	9.59	1.00	4.51	48.1	0.00, 20.33, 0.00	50.5	0.80
	88-150	63	440	48.2	16.09	1.00	5.20	28.5	0.00, 4.43, 11.31	48.2	0.68
	151-178	28	200	83.5	6.61	1.00	3.70	72.8	0.00, 11.55, 5.75	83.5	0.93
	179-200	22	171	95.8	5.36	1.00	3.04	89.9	3.68, 1.80, 0.00	95.8	0.94
	201-226	26	205	116.8	5.02	1.00	2.22	111.3	6.18, 0.36, 0.00	116.8	0.95
	227-272	46	340	129.3	10.09	1.00	4.20	127.9	0.00, 2.08, 0.00	129.3	0.91
	273-299	27	191	100.1	6.72	1.00	3.93	96.0	0.00, 10.29, 0.00	100.1	0.94
	300-353	54	410	113.4	12.78	1.00	3.93	94.6	6.43, 0.00, 2.80	113.4	0.87
	354-377	24	184	113.4	16.87	1.00	3.19	111.5	9.77, 0.00, 0.00	113.4	0.84
	378-401	24	184	90.5	12.01	1.00	3.80	88.8	7.48, 0.00, 0.00	90.5	0.86
	402-423	22	144	50.2	12.13	1.00	2.47	44.0	9.52, 0.01, 0.00	50.2	0.78
	424-447	24	178	43.9	8.54	1.00	4.04	32.6	19.03, 0.00, 6.36	43.9	0.82
	448-482	35	252	43.9	8.14	1.00	2.94	31.3	0.00, 10.81, 5.58	43.9	0.81
	483-513	31	230	45.4	9.11	1.00	3.29	24.2	0.00, 6.53, 2.44	45.4	0.81
	514-526	13	99	48.9	19.03	1.00	3.50	29.9	34.36, 9.67, 0.00	48.9	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=3.35 and residual=0.95)
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	41.5	7.11	1.00	4.93	36.7	0.00, 19.70, 0.00	41.5	0.87
	18-69	52	391	43.0	11.32	1.00	4.95	33.7	9.40, 1.79, 0.00	43.0	0.76
	70-87	18	121	50.5	9.59	1.00	4.51	48.1	0.00, 20.33, 0.00	50.5	0.80
	88-149	62	432	47.8	15.91	1.00	5.11	28.8	0.00, 4.39, 11.14	47.8	0.68
	150-174	25	177	83.4	6.34	1.00	3.61	76.9	12.14, 0.00, 0.00	83.4	0.93
	175-189	15	111	93.5	10.40	1.00	3.57	89.9	16.73, 0.00, 0.00	93.5	0.87
	190-202	13	104	95.7	6.61	1.00	2.11	89.4	0.00, 15.38, 0.00	95.7	0.93
	203-225	23	183	117.1	4.92	1.00	1.61	113.2	7.32, 0.00, 0.05	117.1	0.95
	226-272	47	349	129.0	10.07	1.00	4.17	126.8	2.32, 0.00, 0.00	129.0	0.91
	273-299	27	191	100.1	6.72	1.00	3.93	96.0	0.00, 10.29, 0.00	100.1	0.94
	300-353	54	410	113.4	12.78	1.00	3.93	94.6	6.43, 0.00, 2.80	113.4	0.87
	354-377	24	184	113.4	16.87	1.00	3.19	111.5	9.77, 0.00, 0.00	113.4	0.84
	378-401	24	184	90.5	12.01	1.00	3.80	88.8	7.48, 0.00, 0.00	90.5	0.86
	402-423	22	144	50.2	12.13	1.00	2.47	44.0	9.52, 0.01, 0.00	50.2	0.78
	424-447	24	178	43.9	8.54	1.00	4.04	32.6	19.03, 0.00, 6.36	43.9	0.82
	448-482	35	252	43.9	8.14	1.00	2.94	31.3	0.00, 10.81, 5.58	43.9	0.81
	483-513	31	230	45.4	9.11	1.00	3.29	24.2	0.00, 6.53, 2.44	45.4	0.81
	514-526	13	99	48.9	19.03	1.00	3.50	29.9	34.36, 9.67, 0.00	48.9	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=3.26 and residual=0.89)
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	41.5	7.11	1.00	4.93	36.7	0.00, 19.70, 0.00	41.5	0.87
	18-69	52	391	43.0	11.32	1.00	4.95	33.7	9.40, 1.79, 0.00	43.0	0.76
	70-87	18	121	50.5	9.59	1.00	4.51	48.1	0.00, 20.33, 0.00	50.5	0.80
	88-117	30	206	35.9	5.72	1.00	3.38	28.8	16.60, 4.05, 0.00	35.9	0.86
	118-131	14	104	47.0	10.26	1.00	4.20	32.8	0.00, 4.22, 29.52	47.0	0.79
	132-150	19	130	68.6	9.20	1.00	3.76	52.5	23.19, 0.00, 1.11	68.6	0.86
	151-178	28	200	83.5	6.61	1.00	3.70	72.8	0.00, 11.55, 5.75	83.5	0.93
	179-200	22	171	95.8	5.36	1.00	3.04	89.9	3.68, 1.80, 0.00	95.8	0.94
	201-226	26	205	116.8	5.02	1.00	2.22	111.3	6.18, 0.36, 0.00	116.8	0.95
	227-272	46	340	129.3	10.09	1.00	4.20	127.9	0.00, 2.08, 0.00	129.3	0.91
	273-299	27	191	100.1	6.72	1.00	3.93	96.0	0.00, 10.29, 0.00	100.1	0.94
	300-353	54	410	113.4	12.78	1.00	3.93	94.6	6.43, 0.00, 2.80	113.4	0.87
	354-377	24	184	113.4	16.87	1.00	3.19	111.5	9.77, 0.00, 0.00	113.4	0.84
	378-401	24	184	90.5	12.01	1.00	3.80	88.8	7.48, 0.00, 0.00	90.5	0.86
	402-423	22	144	50.2	12.13	1.00	2.47	44.0	9.52, 0.01, 0.00	50.2	0.78
	424-447	24	178	43.9	8.54	1.00	4.04	32.6	19.03, 0.00, 6.36	43.9	0.82
	448-482	35	252	43.9	8.14	1.00	2.94	31.3	0.00, 10.81, 5.58	43.9	0.81
	483-513	31	230	45.4	9.11	1.00	3.29	24.2	0.00, 6.53, 2.44	45.4	0.81
	514-526	13	99	48.9	19.03	1.00	3.50	29.9	34.36, 9.67, 0.00	48.9	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=3.16 and residual=0.84)
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	41.5	7.11	1.00	4.93	36.7	0.00, 19.70, 0.00	41.5	0.87
	18-69	52	391	43.0	11.32	1.00	4.95	33.7	9.40, 1.79, 0.00	43.0	0.76
	70-87	18	121	50.5	9.59	1.00	4.51	48.1	0.00, 20.33, 0.00	50.5	0.80
	88-117	30	206	35.9	5.72	1.00	3.38	28.8	16.60, 4.05, 0.00	35.9	0.86
	118-131	14	104	47.0	10.26	1.00	4.20	32.8	0.00, 4.22, 29.52	47.0	0.79
	132-150	19	130	68.6	9.20	1.00	3.76	52.5	23.19, 0.00, 1.11	68.6	0.86
	151-174	24	169	84.0	5.92	1.00	3.09	44.5	8.58, 0.00, 1.06	84.0	0.93
	175-189	15	111	93.5	10.40	1.00	3.57	89.9	16.73, 0.00, 0.00	93.5	0.87
	190-202	13	104	95.7	6.61	1.00	2.11	89.4	0.00, 15.38, 0.00	95.7	0.93
	203-225	23	183	117.1	4.92	1.00	1.61	113.2	7.32, 0.00, 0.05	117.1	0.95
	226-272	47	349	129.0	10.07	1.00	4.17	126.8	2.32, 0.00, 0.00	129.0	0.91
	273-299	27	191	100.1	6.72	1.00	3.93	96.0	0.00, 10.29, 0.00	100.1	0.94
	300-353	54	410	113.4	12.78	1.00	3.93	94.6	6.43, 0.00, 2.80	113.4	0.87
	354-377	24	184	113.4	16.87	1.00	3.19	111.5	9.77, 0.00, 0.00	113.4	0.84
	378-401	24	184	90.5	12.01	1.00	3.80	88.8	7.48, 0.00, 0.00	90.5	0.86
	402-423	22	144	50.2	12.13	1.00	2.47	44.0	9.52, 0.01, 0.00	50.2	0.78
	424-447	24	178	43.9	8.54	1.00	4.04	32.6	19.03, 0.00, 6.36	43.9	0.82
	448-482	35	252	43.9	8.14	1.00	2.94	31.3	0.00, 10.81, 5.58	43.9	0.81
	483-513	31	230	45.4	9.11	1.00	3.29	24.2	0.00, 6.53, 2.44	45.4	0.81
	514-526	13	99	48.9	19.03	1.00	3.50	29.9	34.36, 9.67, 0.00	48.9	0.65

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1 Released 11 February 2010