1KP8: Chain H TLS Analysis

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1

1KP8: Chain H TLS Analysis

Chain H 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 H

# 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=11.25 and residual=10.66)
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	66.7	30.48	1.00	11.45	-3.4	4.10, 0.73, 0.00	66.7	0.60

Summary of Optimal TLS Group Partition using 2 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 2 Chain Segments (overall rmsd_b=8.54 and residual=6.15)
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	40.9	10.73	1.00	6.67	29.8	3.92, 1.45, 0.00	40.9	0.81
	141-526	386	2856	75.7	29.97	1.00	11.12	11.4	4.44, 0.89, 0.00	75.7	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

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Analysis of TLS Group 3 Chain Segments (overall rmsd_b=6.68 and residual=3.75)
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	40.9	10.73	1.00	6.67	29.8	3.92, 1.45, 0.00	40.9	0.81
	141-398	258	1930	92.6	19.97	1.00	7.18	59.3	6.87, 0.29, 2.18	92.6	0.78
	399-526	128	926	40.6	10.40	1.00	5.96	28.2	5.92, 2.03, 0.23	40.6	0.81

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=6.21 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>
	2-78	77	569	41.2	10.65	1.00	5.65	33.7	10.57, 0.00, 0.00	41.2	0.79
	79-150	72	498	42.6	11.82	1.00	5.24	26.3	12.23, 4.02, 0.00	42.6	0.75
	151-398	248	1862	93.9	19.04	1.00	7.02	62.3	7.06, 0.74, 1.96	93.9	0.79
	399-526	128	926	40.6	10.40	1.00	5.96	28.2	5.92, 2.03, 0.23	40.6	0.81

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=5.79 and residual=2.82)
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	41.2	10.65	1.00	5.65	33.7	10.57, 0.00, 0.00	41.2	0.79
	79-183	105	729	50.9	16.60	1.00	6.51	27.2	12.18, 2.35, 0.00	50.9	0.69
	184-283	100	757	100.9	16.46	1.00	5.34	53.5	0.00, 3.73, 2.32	100.9	0.82
	284-398	115	874	94.6	17.26	1.00	6.26	63.6	8.65, 2.24, 1.08	94.6	0.81
	399-526	128	926	40.6	10.40	1.00	5.96	28.2	5.92, 2.03, 0.23	40.6	0.81

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=5.49 and residual=2.54)
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	41.2	10.65	1.00	5.65	33.7	10.57, 0.00, 0.00	41.2	0.79
	79-150	72	498	42.6	11.82	1.00	5.24	26.3	12.23, 4.02, 0.00	42.6	0.75
	151-183	33	231	68.6	10.35	1.00	4.20	53.9	3.19, 8.40, 12.37	68.6	0.86
	184-283	100	757	100.9	16.46	1.00	5.34	53.5	0.00, 3.73, 2.32	100.9	0.82
	284-398	115	874	94.6	17.26	1.00	6.26	63.6	8.65, 2.24, 1.08	94.6	0.81
	399-526	128	926	40.6	10.40	1.00	5.96	28.2	5.92, 2.03, 0.23	40.6	0.81

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=5.20 and residual=2.28)
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	41.2	10.65	1.00	5.65	33.7	10.57, 0.00, 0.00	41.2	0.79
	79-150	72	498	42.6	11.82	1.00	5.24	26.3	12.23, 4.02, 0.00	42.6	0.75
	151-183	33	231	68.6	10.35	1.00	4.20	53.9	3.19, 8.40, 12.37	68.6	0.86
	184-283	100	757	100.9	16.46	1.00	5.34	53.5	0.00, 3.73, 2.32	100.9	0.82
	284-367	84	648	100.5	14.75	1.00	5.51	76.8	6.82, 2.10, 2.68	100.5	0.84
	368-415	48	338	67.9	18.61	1.00	6.07	60.6	0.00, 6.38, 0.00	67.9	0.71
	416-526	111	814	39.6	9.74	1.00	5.79	28.2	5.66, 0.00, 2.44	39.6	0.82

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=4.98 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>
	2-78	77	569	41.2	10.65	1.00	5.65	33.7	10.57, 0.00, 0.00	41.2	0.79
	79-150	72	498	42.6	11.82	1.00	5.24	26.3	12.23, 4.02, 0.00	42.6	0.75
	151-183	33	231	68.6	10.35	1.00	4.20	53.9	3.19, 8.40, 12.37	68.6	0.86
	184-283	100	757	100.9	16.46	1.00	5.34	53.5	0.00, 3.73, 2.32	100.9	0.82
	284-355	72	547	99.3	15.05	1.00	5.11	77.2	1.35, 3.94, 7.80	99.3	0.84
	356-398	43	327	86.9	17.93	1.00	5.04	65.2	7.99, 0.00, 0.33	86.9	0.81
	399-482	84	597	40.0	8.95	1.00	5.25	30.4	6.36, 1.64, 0.00	40.0	0.84
	483-526	44	329	41.7	12.54	1.00	5.03	29.9	12.81, 0.00, 1.30	41.7	0.77

Summary of Optimal TLS Group Partition using 9 Groups
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Analysis of TLS Group 9 Chain Segments (overall rmsd_b=4.79 and residual=1.93)
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	41.2	10.65	1.00	5.65	33.7	10.57, 0.00, 0.00	41.2	0.79
	79-150	72	498	42.6	11.82	1.00	5.24	26.3	12.23, 4.02, 0.00	42.6	0.75
	151-183	33	231	68.6	10.35	1.00	4.20	53.9	3.19, 8.40, 12.37	68.6	0.86
	184-283	100	757	100.9	16.46	1.00	5.34	53.5	0.00, 3.73, 2.32	100.9	0.82
	284-367	84	648	100.5	14.75	1.00	5.51	76.8	6.82, 2.10, 2.68	100.5	0.84
	368-402	35	254	75.1	13.88	1.00	4.41	65.1	0.00, 0.00, 0.00	75.1	0.81
	403-444	42	293	40.5	9.98	1.00	4.42	30.0	13.77, 0.00, 2.04	40.5	0.79
	445-482	38	276	38.0	6.71	1.00	3.45	20.8	10.05, 1.68, 0.00	38.0	0.84
	483-526	44	329	41.7	12.54	1.00	5.03	29.9	12.81, 0.00, 1.30	41.7	0.77

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=4.61 and residual=1.79)
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	41.2	10.65	1.00	5.65	33.7	10.57, 0.00, 0.00	41.2	0.79
	79-150	72	498	42.6	11.82	1.00	5.24	26.3	12.23, 4.02, 0.00	42.6	0.75
	151-183	33	231	68.6	10.35	1.00	4.20	53.9	3.19, 8.40, 12.37	68.6	0.86
	184-283	100	757	100.9	16.46	1.00	5.34	53.5	0.00, 3.73, 2.32	100.9	0.82
	284-353	70	529	98.5	14.70	1.00	4.93	76.1	0.85, 4.79, 8.47	98.5	0.84
	354-378	25	191	94.1	22.18	1.00	4.26	14.6	14.70, 2.38, 0.00	94.1	0.78
	379-402	24	182	77.6	14.80	1.00	2.88	75.3	0.00, 11.23, 0.00	77.6	0.80
	403-444	42	293	40.5	9.98	1.00	4.42	30.0	13.77, 0.00, 2.04	40.5	0.79
	445-482	38	276	38.0	6.71	1.00	3.45	20.8	10.05, 1.68, 0.00	38.0	0.84
	483-526	44	329	41.7	12.54	1.00	5.03	29.9	12.81, 0.00, 1.30	41.7	0.77

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=4.46 and residual=1.68)
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	41.2	10.65	1.00	5.65	33.7	10.57, 0.00, 0.00	41.2	0.79
	79-150	72	498	42.6	11.82	1.00	5.24	26.3	12.23, 4.02, 0.00	42.6	0.75
	151-183	33	231	68.6	10.35	1.00	4.20	53.9	3.19, 8.40, 12.37	68.6	0.86
	184-283	100	757	100.9	16.46	1.00	5.34	53.5	0.00, 3.73, 2.32	100.9	0.82
	284-328	45	343	100.0	14.77	1.00	4.51	78.1	0.00, 5.07, 6.19	100.0	0.83
	329-354	26	195	97.0	14.90	1.00	3.17	90.9	13.98, 0.00, 0.00	97.0	0.82
	355-378	24	182	92.7	21.81	1.00	4.06	19.3	10.76, 2.57, 0.00	92.7	0.78
	379-402	24	182	77.6	14.80	1.00	2.88	75.3	0.00, 11.23, 0.00	77.6	0.80
	403-444	42	293	40.5	9.98	1.00	4.42	30.0	13.77, 0.00, 2.04	40.5	0.79
	445-482	38	276	38.0	6.71	1.00	3.45	20.8	10.05, 1.68, 0.00	38.0	0.84
	483-526	44	329	41.7	12.54	1.00	5.03	29.9	12.81, 0.00, 1.30	41.7	0.77

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=4.33 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	41.2	10.65	1.00	5.65	33.7	10.57, 0.00, 0.00	41.2	0.79
	79-150	72	498	42.6	11.82	1.00	5.24	26.3	12.23, 4.02, 0.00	42.6	0.75
	151-183	33	231	68.6	10.35	1.00	4.20	53.9	3.19, 8.40, 12.37	68.6	0.86
	184-226	43	345	91.0	12.56	1.00	4.24	55.2	6.88, 0.95, 0.00	91.0	0.84
	227-283	57	412	109.1	14.67	1.00	5.29	-19.7	5.07, 0.00, 0.96	109.1	0.85
	284-328	45	343	100.0	14.77	1.00	4.51	78.1	0.00, 5.07, 6.19	100.0	0.83
	329-354	26	195	97.0	14.90	1.00	3.17	90.9	13.98, 0.00, 0.00	97.0	0.82
	355-378	24	182	92.7	21.81	1.00	4.06	19.3	10.76, 2.57, 0.00	92.7	0.78
	379-402	24	182	77.6	14.80	1.00	2.88	75.3	0.00, 11.23, 0.00	77.6	0.80
	403-444	42	293	40.5	9.98	1.00	4.42	30.0	13.77, 0.00, 2.04	40.5	0.79
	445-482	38	276	38.0	6.71	1.00	3.45	20.8	10.05, 1.68, 0.00	38.0	0.84
	483-526	44	329	41.7	12.54	1.00	5.03	29.9	12.81, 0.00, 1.30	41.7	0.77

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=4.19 and residual=1.48)
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	41.2	10.65	1.00	5.65	33.7	10.57, 0.00, 0.00	41.2	0.79
	79-150	72	498	42.6	11.82	1.00	5.24	26.3	12.23, 4.02, 0.00	42.6	0.75
	151-178	28	200	66.3	8.95	1.00	3.79	52.8	15.67, 10.86, 1.73	66.3	0.87
	179-200	22	171	78.6	7.11	1.00	2.96	68.2	5.30, 4.42, 0.00	78.6	0.91
	201-228	28	219	100.7	5.10	1.00	2.12	92.5	0.00, 5.41, 2.54	100.7	0.94
	229-283	55	398	109.2	14.90	1.00	5.34	-64.4	5.27, 0.00, 0.71	109.2	0.84
	284-328	45	343	100.0	14.77	1.00	4.51	78.1	0.00, 5.07, 6.19	100.0	0.83
	329-354	26	195	97.0	14.90	1.00	3.17	90.9	13.98, 0.00, 0.00	97.0	0.82
	355-378	24	182	92.7	21.81	1.00	4.06	19.3	10.76, 2.57, 0.00	92.7	0.78
	379-402	24	182	77.6	14.80	1.00	2.88	75.3	0.00, 11.23, 0.00	77.6	0.80
	403-444	42	293	40.5	9.98	1.00	4.42	30.0	13.77, 0.00, 2.04	40.5	0.79
	445-482	38	276	38.0	6.71	1.00	3.45	20.8	10.05, 1.68, 0.00	38.0	0.84
	483-526	44	329	41.7	12.54	1.00	5.03	29.9	12.81, 0.00, 1.30	41.7	0.77

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=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	41.2	10.65	1.00	5.65	33.7	10.57, 0.00, 0.00	41.2	0.79
	79-150	72	498	42.6	11.82	1.00	5.24	26.3	12.23, 4.02, 0.00	42.6	0.75
	151-178	28	200	66.3	8.95	1.00	3.79	52.8	15.67, 10.86, 1.73	66.3	0.87
	179-200	22	171	78.6	7.11	1.00	2.96	68.2	5.30, 4.42, 0.00	78.6	0.91
	201-228	28	219	100.7	5.10	1.00	2.12	92.5	0.00, 5.41, 2.54	100.7	0.94
	229-283	55	398	109.2	14.90	1.00	5.34	-64.4	5.27, 0.00, 0.71	109.2	0.84
	284-328	45	343	100.0	14.77	1.00	4.51	78.1	0.00, 5.07, 6.19	100.0	0.83
	329-354	26	195	97.0	14.90	1.00	3.17	90.9	13.98, 0.00, 0.00	97.0	0.82
	355-378	24	182	92.7	21.81	1.00	4.06	19.3	10.76, 2.57, 0.00	92.7	0.78
	379-402	24	182	77.6	14.80	1.00	2.88	75.3	0.00, 11.23, 0.00	77.6	0.80
	403-444	42	293	40.5	9.98	1.00	4.42	30.0	13.77, 0.00, 2.04	40.5	0.79
	445-482	38	276	38.0	6.71	1.00	3.45	20.8	10.05, 1.68, 0.00	38.0	0.84
	483-516	34	253	39.0	7.69	1.00	3.55	26.1	8.56, 0.00, 2.82	39.0	0.82
	517-526	10	76	50.6	19.50	1.00	3.36	32.5	25.78, 0.00, 12.72	50.6	0.63

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=3.93 and residual=1.30)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-24	23	165	40.2	8.31	1.00	5.04	36.1	0.00, 15.95, 0.00	40.2	0.82
	25-68	44	333	41.7	12.28	1.00	4.93	30.8	8.66, 2.16, 0.00	41.7	0.72
	69-98	30	200	39.3	8.87	1.00	4.14	37.7	5.25, 0.00, 0.00	39.3	0.77
	99-150	52	369	44.2	12.04	1.00	5.15	25.6	15.76, 3.94, 0.00	44.2	0.74
	151-178	28	200	66.3	8.95	1.00	3.79	52.8	15.67, 10.86, 1.73	66.3	0.87
	179-200	22	171	78.6	7.11	1.00	2.96	68.2	5.30, 4.42, 0.00	78.6	0.91
	201-228	28	219	100.7	5.10	1.00	2.12	92.5	0.00, 5.41, 2.54	100.7	0.94
	229-283	55	398	109.2	14.90	1.00	5.34	-64.4	5.27, 0.00, 0.71	109.2	0.84
	284-328	45	343	100.0	14.77	1.00	4.51	78.1	0.00, 5.07, 6.19	100.0	0.83
	329-354	26	195	97.0	14.90	1.00	3.17	90.9	13.98, 0.00, 0.00	97.0	0.82
	355-378	24	182	92.7	21.81	1.00	4.06	19.3	10.76, 2.57, 0.00	92.7	0.78
	379-402	24	182	77.6	14.80	1.00	2.88	75.3	0.00, 11.23, 0.00	77.6	0.80
	403-444	42	293	40.5	9.98	1.00	4.42	30.0	13.77, 0.00, 2.04	40.5	0.79
	445-482	38	276	38.0	6.71	1.00	3.45	20.8	10.05, 1.68, 0.00	38.0	0.84
	483-526	44	329	41.7	12.54	1.00	5.03	29.9	12.81, 0.00, 1.30	41.7	0.77

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=3.80 and residual=1.22)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-24	23	165	40.2	8.31	1.00	5.04	36.1	0.00, 15.95, 0.00	40.2	0.82
	25-68	44	333	41.7	12.28	1.00	4.93	30.8	8.66, 2.16, 0.00	41.7	0.72
	69-98	30	200	39.3	8.87	1.00	4.14	37.7	5.25, 0.00, 0.00	39.3	0.77
	99-150	52	369	44.2	12.04	1.00	5.15	25.6	15.76, 3.94, 0.00	44.2	0.74
	151-178	28	200	66.3	8.95	1.00	3.79	52.8	15.67, 10.86, 1.73	66.3	0.87
	179-200	22	171	78.6	7.11	1.00	2.96	68.2	5.30, 4.42, 0.00	78.6	0.91
	201-228	28	219	100.7	5.10	1.00	2.12	92.5	0.00, 5.41, 2.54	100.7	0.94
	229-283	55	398	109.2	14.90	1.00	5.34	-64.4	5.27, 0.00, 0.71	109.2	0.84
	284-328	45	343	100.0	14.77	1.00	4.51	78.1	0.00, 5.07, 6.19	100.0	0.83
	329-354	26	195	97.0	14.90	1.00	3.17	90.9	13.98, 0.00, 0.00	97.0	0.82
	355-378	24	182	92.7	21.81	1.00	4.06	19.3	10.76, 2.57, 0.00	92.7	0.78
	379-402	24	182	77.6	14.80	1.00	2.88	75.3	0.00, 11.23, 0.00	77.6	0.80
	403-444	42	293	40.5	9.98	1.00	4.42	30.0	13.77, 0.00, 2.04	40.5	0.79
	445-482	38	276	38.0	6.71	1.00	3.45	20.8	10.05, 1.68, 0.00	38.0	0.84
	483-516	34	253	39.0	7.69	1.00	3.55	26.1	8.56, 0.00, 2.82	39.0	0.82
	517-526	10	76	50.6	19.50	1.00	3.36	32.5	25.78, 0.00, 12.72	50.6	0.63

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=3.68 and residual=1.14)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-24	23	165	40.2	8.31	1.00	5.04	36.1	0.00, 15.95, 0.00	40.2	0.82
	25-68	44	333	41.7	12.28	1.00	4.93	30.8	8.66, 2.16, 0.00	41.7	0.72
	69-98	30	200	39.3	8.87	1.00	4.14	37.7	5.25, 0.00, 0.00	39.3	0.77
	99-150	52	369	44.2	12.04	1.00	5.15	25.6	15.76, 3.94, 0.00	44.2	0.74
	151-178	28	200	66.3	8.95	1.00	3.79	52.8	15.67, 10.86, 1.73	66.3	0.87
	179-200	22	171	78.6	7.11	1.00	2.96	68.2	5.30, 4.42, 0.00	78.6	0.91
	201-229	29	227	101.4	6.13	1.00	2.19	92.4	0.00, 5.58, 2.81	101.4	0.93
	230-276	47	342	112.3	12.79	1.00	5.35	109.1	5.08, 0.00, 0.00	112.3	0.87
	277-294	18	137	87.6	7.69	1.00	5.17	87.0	0.00, 3.31, 0.00	87.6	0.92
	295-328	34	254	103.9	14.44	1.00	3.79	77.4	0.00, 5.35, 4.12	103.9	0.84
	329-354	26	195	97.0	14.90	1.00	3.17	90.9	13.98, 0.00, 0.00	97.0	0.82
	355-378	24	182	92.7	21.81	1.00	4.06	19.3	10.76, 2.57, 0.00	92.7	0.78
	379-402	24	182	77.6	14.80	1.00	2.88	75.3	0.00, 11.23, 0.00	77.6	0.80
	403-444	42	293	40.5	9.98	1.00	4.42	30.0	13.77, 0.00, 2.04	40.5	0.79
	445-482	38	276	38.0	6.71	1.00	3.45	20.8	10.05, 1.68, 0.00	38.0	0.84
	483-516	34	253	39.0	7.69	1.00	3.55	26.1	8.56, 0.00, 2.82	39.0	0.82
	517-526	10	76	50.6	19.50	1.00	3.36	32.5	25.78, 0.00, 12.72	50.6	0.63

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

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Analysis of TLS Group 18 Chain Segments (overall rmsd_b=3.57 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>
	2-18	17	126	43.0	7.49	1.00	4.85	38.4	0.00, 19.79, 0.00	43.0	0.86
	19-48	30	212	39.2	14.10	1.00	3.51	28.9	0.00, 6.39, 5.67	39.2	0.68
	49-78	30	231	42.1	7.76	1.00	3.87	33.7	18.40, 3.61, 0.00	42.1	0.84
	79-98	20	129	38.2	9.87	1.00	2.74	17.9	15.77, 2.27, 0.00	38.2	0.75
	99-150	52	369	44.2	12.04	1.00	5.15	25.6	15.76, 3.94, 0.00	44.2	0.74
	151-178	28	200	66.3	8.95	1.00	3.79	52.8	15.67, 10.86, 1.73	66.3	0.87
	179-200	22	171	78.6	7.11	1.00	2.96	68.2	5.30, 4.42, 0.00	78.6	0.91
	201-229	29	227	101.4	6.13	1.00	2.19	92.4	0.00, 5.58, 2.81	101.4	0.93
	230-276	47	342	112.3	12.79	1.00	5.35	109.1	5.08, 0.00, 0.00	112.3	0.87
	277-294	18	137	87.6	7.69	1.00	5.17	87.0	0.00, 3.31, 0.00	87.6	0.92
	295-328	34	254	103.9	14.44	1.00	3.79	77.4	0.00, 5.35, 4.12	103.9	0.84
	329-354	26	195	97.0	14.90	1.00	3.17	90.9	13.98, 0.00, 0.00	97.0	0.82
	355-378	24	182	92.7	21.81	1.00	4.06	19.3	10.76, 2.57, 0.00	92.7	0.78
	379-402	24	182	77.6	14.80	1.00	2.88	75.3	0.00, 11.23, 0.00	77.6	0.80
	403-444	42	293	40.5	9.98	1.00	4.42	30.0	13.77, 0.00, 2.04	40.5	0.79
	445-482	38	276	38.0	6.71	1.00	3.45	20.8	10.05, 1.68, 0.00	38.0	0.84
	483-516	34	253	39.0	7.69	1.00	3.55	26.1	8.56, 0.00, 2.82	39.0	0.82
	517-526	10	76	50.6	19.50	1.00	3.36	32.5	25.78, 0.00, 12.72	50.6	0.63

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=3.46 and residual=1.01)
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	43.0	7.49	1.00	4.85	38.4	0.00, 19.79, 0.00	43.0	0.86
	19-48	30	212	39.2	14.10	1.00	3.51	28.9	0.00, 6.39, 5.67	39.2	0.68
	49-78	30	231	42.1	7.76	1.00	3.87	33.7	18.40, 3.61, 0.00	42.1	0.84
	79-98	20	129	38.2	9.87	1.00	2.74	17.9	15.77, 2.27, 0.00	38.2	0.75
	99-150	52	369	44.2	12.04	1.00	5.15	25.6	15.76, 3.94, 0.00	44.2	0.74
	151-178	28	200	66.3	8.95	1.00	3.79	52.8	15.67, 10.86, 1.73	66.3	0.87
	179-200	22	171	78.6	7.11	1.00	2.96	68.2	5.30, 4.42, 0.00	78.6	0.91
	201-230	30	235	102.0	6.99	1.00	2.25	92.8	0.00, 5.82, 3.04	102.0	0.92
	231-245	15	111	116.8	5.87	1.00	2.25	116.1	0.00, 5.03, 0.00	116.8	0.95
	246-267	22	160	109.6	14.48	1.00	4.12	105.7	0.00, 0.00, 0.00	109.6	0.84
	268-283	16	111	99.3	16.89	1.00	2.37	54.1	7.02, 0.00, 0.63	99.3	0.82
	284-328	45	343	100.0	14.77	1.00	4.51	78.1	0.00, 5.07, 6.19	100.0	0.83
	329-354	26	195	97.0	14.90	1.00	3.17	90.9	13.98, 0.00, 0.00	97.0	0.82
	355-378	24	182	92.7	21.81	1.00	4.06	19.3	10.76, 2.57, 0.00	92.7	0.78
	379-402	24	182	77.6	14.80	1.00	2.88	75.3	0.00, 11.23, 0.00	77.6	0.80
	403-444	42	293	40.5	9.98	1.00	4.42	30.0	13.77, 0.00, 2.04	40.5	0.79
	445-482	38	276	38.0	6.71	1.00	3.45	20.8	10.05, 1.68, 0.00	38.0	0.84
	483-516	34	253	39.0	7.69	1.00	3.55	26.1	8.56, 0.00, 2.82	39.0	0.82
	517-526	10	76	50.6	19.50	1.00	3.36	32.5	25.78, 0.00, 12.72	50.6	0.63

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=3.35 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>
	2-18	17	126	43.0	7.49	1.00	4.85	38.4	0.00, 19.79, 0.00	43.0	0.86
	19-48	30	212	39.2	14.10	1.00	3.51	28.9	0.00, 6.39, 5.67	39.2	0.68
	49-78	30	231	42.1	7.76	1.00	3.87	33.7	18.40, 3.61, 0.00	42.1	0.84
	79-98	20	129	38.2	9.87	1.00	2.74	17.9	15.77, 2.27, 0.00	38.2	0.75
	99-150	52	369	44.2	12.04	1.00	5.15	25.6	15.76, 3.94, 0.00	44.2	0.74
	151-178	28	200	66.3	8.95	1.00	3.79	52.8	15.67, 10.86, 1.73	66.3	0.87
	179-200	22	171	78.6	7.11	1.00	2.96	68.2	5.30, 4.42, 0.00	78.6	0.91
	201-230	30	235	102.0	6.99	1.00	2.25	92.8	0.00, 5.82, 3.04	102.0	0.92
	231-245	15	111	116.8	5.87	1.00	2.25	116.1	0.00, 5.03, 0.00	116.8	0.95
	246-267	22	160	109.6	14.48	1.00	4.12	105.7	0.00, 0.00, 0.00	109.6	0.84
	268-283	16	111	99.3	16.89	1.00	2.37	54.1	7.02, 0.00, 0.63	99.3	0.82
	284-301	18	134	90.2	8.12	1.00	3.26	81.1	0.00, 10.83, 6.15	90.2	0.90
	302-328	27	209	106.3	14.65	1.00	3.50	82.3	0.00, 4.75, 2.93	106.3	0.84
	329-354	26	195	97.0	14.90	1.00	3.17	90.9	13.98, 0.00, 0.00	97.0	0.82
	355-378	24	182	92.7	21.81	1.00	4.06	19.3	10.76, 2.57, 0.00	92.7	0.78
	379-402	24	182	77.6	14.80	1.00	2.88	75.3	0.00, 11.23, 0.00	77.6	0.80
	403-444	42	293	40.5	9.98	1.00	4.42	30.0	13.77, 0.00, 2.04	40.5	0.79
	445-482	38	276	38.0	6.71	1.00	3.45	20.8	10.05, 1.68, 0.00	38.0	0.84
	483-516	34	253	39.0	7.69	1.00	3.55	26.1	8.56, 0.00, 2.82	39.0	0.82
	517-526	10	76	50.6	19.50	1.00	3.36	32.5	25.78, 0.00, 12.72	50.6	0.63

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1 Released 11 February 2010