1KP8: Chain F TLS Analysis

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1

1KP8: Chain F TLS Analysis

Chain F 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 F

# 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
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Analysis of TLS Group 1 Chain Segments (overall rmsd_b=13.43 and residual=15.18)
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	81.5	43.72	1.00	13.47	56.3	4.00, 0.00, 0.31	81.5	0.54

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=10.51 and residual=9.30)
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	39.4	10.61	1.00	7.38	30.0	3.88, 1.38, 0.00	39.4	0.81
	129-526	398	2944	94.6	41.80	1.00	12.64	69.0	3.93, 0.00, 0.49	94.6	0.59

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=7.42 and residual=4.63)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-148	147	1052	42.5	13.26	1.00	7.17	32.3	4.08, 1.09, 0.00	42.5	0.76
	149-392	244	1828	123.4	22.18	1.00	8.43	50.2	4.80, 0.32, 0.91	123.4	0.80
	393-526	134	975	45.1	14.05	1.00	6.04	27.2	0.00, 2.30, 6.23	45.1	0.73

Summary of Optimal TLS Group Partition using 4 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 4 Chain Segments (overall rmsd_b=6.62 and residual=3.69)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-111	110	785	39.6	10.96	1.00	6.92	31.8	6.50, 0.33, 0.00	39.6	0.79
	112-195	84	610	73.7	24.17	1.00	6.63	-1.6	7.80, 0.00, 1.11	73.7	0.67
	196-371	176	1340	133.9	14.26	1.00	6.89	103.7	0.00, 2.05, 3.93	133.9	0.88
	372-526	155	1120	52.5	23.30	1.00	6.96	30.3	0.00, 2.55, 4.41	52.5	0.65

Summary of Optimal TLS Group Partition using 5 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 5 Chain Segments (overall rmsd_b=5.89 and residual=2.92)
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	39.4	10.61	1.00	7.38	30.0	3.88, 1.38, 0.00	39.4	0.81
	129-204	76	563	88.1	20.39	1.00	6.43	23.6	8.08, 0.00, 1.01	88.1	0.76
	205-270	66	493	144.9	8.60	1.00	3.36	143.1	1.94, 0.00, 0.00	144.9	0.93
	271-392	122	913	124.2	15.67	1.00	6.06	84.6	0.00, 1.23, 4.93	124.2	0.86
	393-526	134	975	45.1	14.05	1.00	6.04	27.2	0.00, 2.30, 6.23	45.1	0.73

Summary of Optimal TLS Group Partition using 6 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 6 Chain Segments (overall rmsd_b=5.42 and residual=2.47)
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	39.4	10.61	1.00	7.38	30.0	3.88, 1.38, 0.00	39.4	0.81
	129-204	76	563	88.1	20.39	1.00	6.43	23.6	8.08, 0.00, 1.01	88.1	0.76
	205-269	65	485	145.0	8.65	1.00	3.24	143.3	1.80, 0.00, 0.00	145.0	0.93
	270-367	98	744	129.4	12.36	1.00	4.61	108.3	4.38, 1.70, 0.34	129.4	0.89
	368-405	38	277	92.2	17.69	1.00	5.61	82.7	7.71, 0.00, 0.00	92.2	0.80
	406-526	121	875	41.9	10.07	1.00	5.43	28.2	5.66, 0.00, 2.23	41.9	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

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Analysis of TLS Group 7 Chain Segments (overall rmsd_b=4.91 and residual=2.03)
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	40.1	10.95	1.00	6.09	32.5	0.00, 11.88, 0.00	40.1	0.79
	79-150	72	498	46.1	15.39	1.00	5.07	26.7	4.49, 0.00, 12.22	46.1	0.69
	151-204	54	407	97.5	15.00	1.00	5.76	80.2	6.82, 3.31, 0.99	97.5	0.85
	205-269	65	485	145.0	8.65	1.00	3.24	143.3	1.80, 0.00, 0.00	145.0	0.93
	270-367	98	744	129.4	12.36	1.00	4.61	108.3	4.38, 1.70, 0.34	129.4	0.89
	368-405	38	277	92.2	17.69	1.00	5.61	82.7	7.71, 0.00, 0.00	92.2	0.80
	406-526	121	875	41.9	10.07	1.00	5.43	28.2	5.66, 0.00, 2.23	41.9	0.79

Summary of Optimal TLS Group Partition using 8 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 8 Chain Segments (overall rmsd_b=4.68 and residual=1.85)
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	40.1	10.95	1.00	6.09	32.5	0.00, 11.88, 0.00	40.1	0.79
	79-150	72	498	46.1	15.39	1.00	5.07	26.7	4.49, 0.00, 12.22	46.1	0.69
	151-177	27	191	84.9	7.03	1.00	3.73	74.3	0.00, 2.40, 10.30	84.9	0.92
	178-204	27	216	108.6	10.81	1.00	3.49	96.7	5.92, 0.00, 1.54	108.6	0.89
	205-269	65	485	145.0	8.65	1.00	3.24	143.3	1.80, 0.00, 0.00	145.0	0.93
	270-367	98	744	129.4	12.36	1.00	4.61	108.3	4.38, 1.70, 0.34	129.4	0.89
	368-405	38	277	92.2	17.69	1.00	5.61	82.7	7.71, 0.00, 0.00	92.2	0.80
	406-526	121	875	41.9	10.07	1.00	5.43	28.2	5.66, 0.00, 2.23	41.9	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=4.45 and residual=1.67)
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	40.1	10.95	1.00	6.09	32.5	0.00, 11.88, 0.00	40.1	0.79
	79-150	72	498	46.1	15.39	1.00	5.07	26.7	4.49, 0.00, 12.22	46.1	0.69
	151-177	27	191	84.9	7.03	1.00	3.73	74.3	0.00, 2.40, 10.30	84.9	0.92
	178-204	27	216	108.6	10.81	1.00	3.49	96.7	5.92, 0.00, 1.54	108.6	0.89
	205-269	65	485	145.0	8.65	1.00	3.24	143.3	1.80, 0.00, 0.00	145.0	0.93
	270-367	98	744	129.4	12.36	1.00	4.61	108.3	4.38, 1.70, 0.34	129.4	0.89
	368-399	32	231	98.2	12.15	1.00	4.71	87.9	0.00, 7.10, 0.00	98.2	0.87
	400-444	45	316	44.8	10.60	1.00	3.74	32.4	13.19, 2.65, 0.00	44.8	0.78
	445-526	82	605	42.0	10.99	1.00	5.34	25.4	0.00, 3.05, 9.88	42.0	0.76

Summary of Optimal TLS Group Partition using 10 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 10 Chain Segments (overall rmsd_b=4.25 and residual=1.52)
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	40.1	10.95	1.00	6.09	32.5	0.00, 11.88, 0.00	40.1	0.79
	79-150	72	498	46.1	15.39	1.00	5.07	26.7	4.49, 0.00, 12.22	46.1	0.69
	151-177	27	191	84.9	7.03	1.00	3.73	74.3	0.00, 2.40, 10.30	84.9	0.92
	178-204	27	216	108.6	10.81	1.00	3.49	96.7	5.92, 0.00, 1.54	108.6	0.89
	205-269	65	485	145.0	8.65	1.00	3.24	143.3	1.80, 0.00, 0.00	145.0	0.93
	270-367	98	744	129.4	12.36	1.00	4.61	108.3	4.38, 1.70, 0.34	129.4	0.89
	368-399	32	231	98.2	12.15	1.00	4.71	87.9	0.00, 7.10, 0.00	98.2	0.87
	400-444	45	316	44.8	10.60	1.00	3.74	32.4	13.19, 2.65, 0.00	44.8	0.78
	445-482	38	276	41.7	8.48	1.00	3.52	17.3	10.68, 0.00, 2.77	41.7	0.80
	483-526	44	329	42.2	12.71	1.00	4.54	27.5	12.33, 0.00, 1.12	42.2	0.74

Summary of Optimal TLS Group Partition using 11 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 11 Chain Segments (overall rmsd_b=4.06 and residual=1.39)
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	40.1	10.95	1.00	6.09	32.5	0.00, 11.88, 0.00	40.1	0.79
	79-150	72	498	46.1	15.39	1.00	5.07	26.7	4.49, 0.00, 12.22	46.1	0.69
	151-177	27	191	84.9	7.03	1.00	3.73	74.3	0.00, 2.40, 10.30	84.9	0.92
	178-204	27	216	108.6	10.81	1.00	3.49	96.7	5.92, 0.00, 1.54	108.6	0.89
	205-269	65	485	145.0	8.65	1.00	3.24	143.3	1.80, 0.00, 0.00	145.0	0.93
	270-295	26	193	121.7	7.24	1.00	3.35	117.0	5.23, 0.00, 0.00	121.7	0.95
	296-367	72	551	132.0	12.66	1.00	3.73	73.5	3.77, 0.70, 0.00	132.0	0.88
	368-399	32	231	98.2	12.15	1.00	4.71	87.9	0.00, 7.10, 0.00	98.2	0.87
	400-444	45	316	44.8	10.60	1.00	3.74	32.4	13.19, 2.65, 0.00	44.8	0.78
	445-482	38	276	41.7	8.48	1.00	3.52	17.3	10.68, 0.00, 2.77	41.7	0.80
	483-526	44	329	42.2	12.71	1.00	4.54	27.5	12.33, 0.00, 1.12	42.2	0.74

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=3.87 and residual=1.26)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-28	27	194	37.1	7.42	1.00	4.80	33.5	0.00, 13.78, 0.00	37.1	0.85
	29-72	44	330	41.1	12.61	1.00	5.08	28.8	10.51, 2.46, 0.00	41.1	0.72
	73-149	77	535	45.8	14.67	1.00	5.17	28.8	4.14, 0.00, 10.19	45.8	0.70
	150-177	28	199	84.3	7.59	1.00	4.26	77.6	0.00, 14.37, 0.00	84.3	0.91
	178-204	27	216	108.6	10.81	1.00	3.49	96.7	5.92, 0.00, 1.54	108.6	0.89
	205-269	65	485	145.0	8.65	1.00	3.24	143.3	1.80, 0.00, 0.00	145.0	0.93
	270-295	26	193	121.7	7.24	1.00	3.35	117.0	5.23, 0.00, 0.00	121.7	0.95
	296-367	72	551	132.0	12.66	1.00	3.73	73.5	3.77, 0.70, 0.00	132.0	0.88
	368-399	32	231	98.2	12.15	1.00	4.71	87.9	0.00, 7.10, 0.00	98.2	0.87
	400-444	45	316	44.8	10.60	1.00	3.74	32.4	13.19, 2.65, 0.00	44.8	0.78
	445-482	38	276	41.7	8.48	1.00	3.52	17.3	10.68, 0.00, 2.77	41.7	0.80
	483-526	44	329	42.2	12.71	1.00	4.54	27.5	12.33, 0.00, 1.12	42.2	0.74

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=3.74 and residual=1.18)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-28	27	194	37.1	7.42	1.00	4.80	33.5	0.00, 13.78, 0.00	37.1	0.85
	29-72	44	330	41.1	12.61	1.00	5.08	28.8	10.51, 2.46, 0.00	41.1	0.72
	73-109	37	249	39.7	10.82	1.00	4.37	31.4	10.83, 2.21, 0.00	39.7	0.76
	110-150	41	294	51.6	15.55	1.00	4.90	31.1	19.86, 3.64, 0.00	51.6	0.70
	151-177	27	191	84.9	7.03	1.00	3.73	74.3	0.00, 2.40, 10.30	84.9	0.92
	178-204	27	216	108.6	10.81	1.00	3.49	96.7	5.92, 0.00, 1.54	108.6	0.89
	205-269	65	485	145.0	8.65	1.00	3.24	143.3	1.80, 0.00, 0.00	145.0	0.93
	270-295	26	193	121.7	7.24	1.00	3.35	117.0	5.23, 0.00, 0.00	121.7	0.95
	296-367	72	551	132.0	12.66	1.00	3.73	73.5	3.77, 0.70, 0.00	132.0	0.88
	368-399	32	231	98.2	12.15	1.00	4.71	87.9	0.00, 7.10, 0.00	98.2	0.87
	400-444	45	316	44.8	10.60	1.00	3.74	32.4	13.19, 2.65, 0.00	44.8	0.78
	445-482	38	276	41.7	8.48	1.00	3.52	17.3	10.68, 0.00, 2.77	41.7	0.80
	483-526	44	329	42.2	12.71	1.00	4.54	27.5	12.33, 0.00, 1.12	42.2	0.74

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=3.63 and residual=1.11)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-28	27	194	37.1	7.42	1.00	4.80	33.5	0.00, 13.78, 0.00	37.1	0.85
	29-72	44	330	41.1	12.61	1.00	5.08	28.8	10.51, 2.46, 0.00	41.1	0.72
	73-109	37	249	39.7	10.82	1.00	4.37	31.4	10.83, 2.21, 0.00	39.7	0.76
	110-150	41	294	51.6	15.55	1.00	4.90	31.1	19.86, 3.64, 0.00	51.6	0.70
	151-177	27	191	84.9	7.03	1.00	3.73	74.3	0.00, 2.40, 10.30	84.9	0.92
	178-204	27	216	108.6	10.81	1.00	3.49	96.7	5.92, 0.00, 1.54	108.6	0.89
	205-269	65	485	145.0	8.65	1.00	3.24	143.3	1.80, 0.00, 0.00	145.0	0.93
	270-295	26	193	121.7	7.24	1.00	3.35	117.0	5.23, 0.00, 0.00	121.7	0.95
	296-367	72	551	132.0	12.66	1.00	3.73	73.5	3.77, 0.70, 0.00	132.0	0.88
	368-399	32	231	98.2	12.15	1.00	4.71	87.9	0.00, 7.10, 0.00	98.2	0.87
	400-444	45	316	44.8	10.60	1.00	3.74	32.4	13.19, 2.65, 0.00	44.8	0.78
	445-482	38	276	41.7	8.48	1.00	3.52	17.3	10.68, 0.00, 2.77	41.7	0.80
	483-513	31	230	41.2	8.75	1.00	3.00	14.9	0.00, 1.07, 7.03	41.2	0.80
	514-526	13	99	44.4	18.76	1.00	3.48	24.7	28.50, 10.93, 0.00	44.4	0.64

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=3.51 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>
	2-28	27	194	37.1	7.42	1.00	4.80	33.5	0.00, 13.78, 0.00	37.1	0.85
	29-72	44	330	41.1	12.61	1.00	5.08	28.8	10.51, 2.46, 0.00	41.1	0.72
	73-109	37	249	39.7	10.82	1.00	4.37	31.4	10.83, 2.21, 0.00	39.7	0.76
	110-150	41	294	51.6	15.55	1.00	4.90	31.1	19.86, 3.64, 0.00	51.6	0.70
	151-177	27	191	84.9	7.03	1.00	3.73	74.3	0.00, 2.40, 10.30	84.9	0.92
	178-204	27	216	108.6	10.81	1.00	3.49	96.7	5.92, 0.00, 1.54	108.6	0.89
	205-269	65	485	145.0	8.65	1.00	3.24	143.3	1.80, 0.00, 0.00	145.0	0.93
	270-295	26	193	121.7	7.24	1.00	3.35	117.0	5.23, 0.00, 0.00	121.7	0.95
	296-354	59	441	132.4	13.66	1.00	3.68	66.3	4.03, 0.00, 0.77	132.4	0.87
	355-377	23	175	119.7	16.17	1.00	2.63	118.7	5.13, 0.00, 0.00	119.7	0.85
	378-400	23	174	95.3	14.58	1.00	4.45	93.2	9.02, 0.00, 0.00	95.3	0.84
	401-444	44	308	44.4	10.36	1.00	3.56	32.0	13.19, 3.07, 0.00	44.4	0.78
	445-482	38	276	41.7	8.48	1.00	3.52	17.3	10.68, 0.00, 2.77	41.7	0.80
	483-513	31	230	41.2	8.75	1.00	3.00	14.9	0.00, 1.07, 7.03	41.2	0.80
	514-526	13	99	44.4	18.76	1.00	3.48	24.7	28.50, 10.93, 0.00	44.4	0.64

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=3.39 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>
	2-28	27	194	37.1	7.42	1.00	4.80	33.5	0.00, 13.78, 0.00	37.1	0.85
	29-72	44	330	41.1	12.61	1.00	5.08	28.8	10.51, 2.46, 0.00	41.1	0.72
	73-109	37	249	39.7	10.82	1.00	4.37	31.4	10.83, 2.21, 0.00	39.7	0.76
	110-150	41	294	51.6	15.55	1.00	4.90	31.1	19.86, 3.64, 0.00	51.6	0.70
	151-177	27	191	84.9	7.03	1.00	3.73	74.3	0.00, 2.40, 10.30	84.9	0.92
	178-204	27	216	108.6	10.81	1.00	3.49	96.7	5.92, 0.00, 1.54	108.6	0.89
	205-269	65	485	145.0	8.65	1.00	3.24	143.3	1.80, 0.00, 0.00	145.0	0.93
	270-295	26	193	121.7	7.24	1.00	3.35	117.0	5.23, 0.00, 0.00	121.7	0.95
	296-329	34	253	136.3	15.38	1.00	3.04	133.9	0.00, 4.35, 0.00	136.3	0.87
	330-356	27	202	128.0	8.65	1.00	2.19	124.5	0.00, 5.41, 0.00	128.0	0.93
	357-377	21	161	118.1	15.91	1.00	2.39	118.1	0.00, 0.00, 0.00	118.1	0.85
	378-400	23	174	95.3	14.58	1.00	4.45	93.2	9.02, 0.00, 0.00	95.3	0.84
	401-444	44	308	44.4	10.36	1.00	3.56	32.0	13.19, 3.07, 0.00	44.4	0.78
	445-482	38	276	41.7	8.48	1.00	3.52	17.3	10.68, 0.00, 2.77	41.7	0.80
	483-513	31	230	41.2	8.75	1.00	3.00	14.9	0.00, 1.07, 7.03	41.2	0.80
	514-526	13	99	44.4	18.76	1.00	3.48	24.7	28.50, 10.93, 0.00	44.4	0.64

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=3.27 and residual=0.90)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-28	27	194	37.1	7.42	1.00	4.80	33.5	0.00, 13.78, 0.00	37.1	0.85
	29-72	44	330	41.1	12.61	1.00	5.08	28.8	10.51, 2.46, 0.00	41.1	0.72
	73-109	37	249	39.7	10.82	1.00	4.37	31.4	10.83, 2.21, 0.00	39.7	0.76
	110-150	41	294	51.6	15.55	1.00	4.90	31.1	19.86, 3.64, 0.00	51.6	0.70
	151-177	27	191	84.9	7.03	1.00	3.73	74.3	0.00, 2.40, 10.30	84.9	0.92
	178-201	24	186	105.3	7.48	1.00	2.95	95.1	6.44, 1.73, 0.00	105.3	0.92
	202-225	24	190	135.4	6.72	1.00	1.47	127.4	4.32, 1.11, 0.35	135.4	0.94
	226-269	44	325	149.2	6.18	1.00	3.07	147.9	1.89, 0.00, 0.00	149.2	0.95
	270-295	26	193	121.7	7.24	1.00	3.35	117.0	5.23, 0.00, 0.00	121.7	0.95
	296-329	34	253	136.3	15.38	1.00	3.04	133.9	0.00, 4.35, 0.00	136.3	0.87
	330-356	27	202	128.0	8.65	1.00	2.19	124.5	0.00, 5.41, 0.00	128.0	0.93
	357-377	21	161	118.1	15.91	1.00	2.39	118.1	0.00, 0.00, 0.00	118.1	0.85
	378-400	23	174	95.3	14.58	1.00	4.45	93.2	9.02, 0.00, 0.00	95.3	0.84
	401-444	44	308	44.4	10.36	1.00	3.56	32.0	13.19, 3.07, 0.00	44.4	0.78
	445-482	38	276	41.7	8.48	1.00	3.52	17.3	10.68, 0.00, 2.77	41.7	0.80
	483-513	31	230	41.2	8.75	1.00	3.00	14.9	0.00, 1.07, 7.03	41.2	0.80
	514-526	13	99	44.4	18.76	1.00	3.48	24.7	28.50, 10.93, 0.00	44.4	0.64

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=3.16 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>
	2-28	27	194	37.1	7.42	1.00	4.80	33.5	0.00, 13.78, 0.00	37.1	0.85
	29-69	41	312	41.6	12.73	1.00	5.11	29.2	10.41, 2.69, 0.00	41.6	0.72
	70-87	18	121	47.7	9.15	1.00	4.02	45.0	0.00, 23.57, 0.00	47.7	0.81
	88-128	41	284	34.8	7.10	1.00	4.58	25.9	0.00, 4.73, 9.38	34.8	0.83
	129-150	22	156	63.7	9.53	1.00	3.73	49.0	21.19, 3.84, 0.00	63.7	0.84
	151-177	27	191	84.9	7.03	1.00	3.73	74.3	0.00, 2.40, 10.30	84.9	0.92
	178-201	24	186	105.3	7.48	1.00	2.95	95.1	6.44, 1.73, 0.00	105.3	0.92
	202-225	24	190	135.4	6.72	1.00	1.47	127.4	4.32, 1.11, 0.35	135.4	0.94
	226-269	44	325	149.2	6.18	1.00	3.07	147.9	1.89, 0.00, 0.00	149.2	0.95
	270-295	26	193	121.7	7.24	1.00	3.35	117.0	5.23, 0.00, 0.00	121.7	0.95
	296-329	34	253	136.3	15.38	1.00	3.04	133.9	0.00, 4.35, 0.00	136.3	0.87
	330-356	27	202	128.0	8.65	1.00	2.19	124.5	0.00, 5.41, 0.00	128.0	0.93
	357-377	21	161	118.1	15.91	1.00	2.39	118.1	0.00, 0.00, 0.00	118.1	0.85
	378-400	23	174	95.3	14.58	1.00	4.45	93.2	9.02, 0.00, 0.00	95.3	0.84
	401-444	44	308	44.4	10.36	1.00	3.56	32.0	13.19, 3.07, 0.00	44.4	0.78
	445-482	38	276	41.7	8.48	1.00	3.52	17.3	10.68, 0.00, 2.77	41.7	0.80
	483-513	31	230	41.2	8.75	1.00	3.00	14.9	0.00, 1.07, 7.03	41.2	0.80
	514-526	13	99	44.4	18.76	1.00	3.48	24.7	28.50, 10.93, 0.00	44.4	0.64

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=3.07 and residual=0.79)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-18	17	126	39.9	7.69	1.00	4.94	35.5	19.82, 0.00, 0.00	39.9	0.85
	19-57	39	273	38.7	12.73	1.00	3.91	29.2	0.00, 6.71, 7.83	38.7	0.72
	58-78	21	170	42.6	9.38	1.00	3.67	31.4	0.00, 12.96, 21.75	42.6	0.79
	79-109	31	204	38.2	11.17	1.00	3.65	27.5	13.60, 3.01, 0.00	38.2	0.75
	110-128	19	138	37.9	7.57	1.00	4.01	31.1	30.39, 3.08, 0.00	37.9	0.84
	129-150	22	156	63.7	9.53	1.00	3.73	49.0	21.19, 3.84, 0.00	63.7	0.84
	151-177	27	191	84.9	7.03	1.00	3.73	74.3	0.00, 2.40, 10.30	84.9	0.92
	178-201	24	186	105.3	7.48	1.00	2.95	95.1	6.44, 1.73, 0.00	105.3	0.92
	202-225	24	190	135.4	6.72	1.00	1.47	127.4	4.32, 1.11, 0.35	135.4	0.94
	226-269	44	325	149.2	6.18	1.00	3.07	147.9	1.89, 0.00, 0.00	149.2	0.95
	270-295	26	193	121.7	7.24	1.00	3.35	117.0	5.23, 0.00, 0.00	121.7	0.95
	296-329	34	253	136.3	15.38	1.00	3.04	133.9	0.00, 4.35, 0.00	136.3	0.87
	330-356	27	202	128.0	8.65	1.00	2.19	124.5	0.00, 5.41, 0.00	128.0	0.93
	357-377	21	161	118.1	15.91	1.00	2.39	118.1	0.00, 0.00, 0.00	118.1	0.85
	378-400	23	174	95.3	14.58	1.00	4.45	93.2	9.02, 0.00, 0.00	95.3	0.84
	401-444	44	308	44.4	10.36	1.00	3.56	32.0	13.19, 3.07, 0.00	44.4	0.78
	445-482	38	276	41.7	8.48	1.00	3.52	17.3	10.68, 0.00, 2.77	41.7	0.80
	483-513	31	230	41.2	8.75	1.00	3.00	14.9	0.00, 1.07, 7.03	41.2	0.80
	514-526	13	99	44.4	18.76	1.00	3.48	24.7	28.50, 10.93, 0.00	44.4	0.64

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=2.99 and residual=0.75)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-18	17	126	39.9	7.69	1.00	4.94	35.5	19.82, 0.00, 0.00	39.9	0.85
	19-57	39	273	38.7	12.73	1.00	3.91	29.2	0.00, 6.71, 7.83	38.7	0.72
	58-78	21	170	42.6	9.38	1.00	3.67	31.4	0.00, 12.96, 21.75	42.6	0.79
	79-109	31	204	38.2	11.17	1.00	3.65	27.5	13.60, 3.01, 0.00	38.2	0.75
	110-128	19	138	37.9	7.57	1.00	4.01	31.1	30.39, 3.08, 0.00	37.9	0.84
	129-150	22	156	63.7	9.53	1.00	3.73	49.0	21.19, 3.84, 0.00	63.7	0.84
	151-171	21	149	86.9	4.77	1.00	2.27	83.3	7.45, 0.00, 0.00	86.9	0.94
	172-178	7	51	81.4	11.42	1.00	2.68	69.3	0.00, 31.48, 0.00	81.4	0.86
	179-200	22	171	105.0	6.72	1.00	2.78	94.7	5.65, 1.45, 0.00	105.0	0.93
	201-225	25	196	135.1	6.91	1.00	1.63	123.9	5.15, 0.00, 0.93	135.1	0.94
	226-269	44	325	149.2	6.18	1.00	3.07	147.9	1.89, 0.00, 0.00	149.2	0.95
	270-295	26	193	121.7	7.24	1.00	3.35	117.0	5.23, 0.00, 0.00	121.7	0.95
	296-329	34	253	136.3	15.38	1.00	3.04	133.9	0.00, 4.35, 0.00	136.3	0.87
	330-356	27	202	128.0	8.65	1.00	2.19	124.5	0.00, 5.41, 0.00	128.0	0.93
	357-377	21	161	118.1	15.91	1.00	2.39	118.1	0.00, 0.00, 0.00	118.1	0.85
	378-400	23	174	95.3	14.58	1.00	4.45	93.2	9.02, 0.00, 0.00	95.3	0.84
	401-444	44	308	44.4	10.36	1.00	3.56	32.0	13.19, 3.07, 0.00	44.4	0.78
	445-482	38	276	41.7	8.48	1.00	3.52	17.3	10.68, 0.00, 2.77	41.7	0.80
	483-513	31	230	41.2	8.75	1.00	3.00	14.9	0.00, 1.07, 7.03	41.2	0.80
	514-526	13	99	44.4	18.76	1.00	3.48	24.7	28.50, 10.93, 0.00	44.4	0.64

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1 Released 11 February 2010