1KP8: Chain B TLS Analysis

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1

1KP8: Chain B TLS Analysis

Chain B 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 B

# 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=15.33 and residual=19.78)
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	78.7	44.90	1.00	15.43	47.4	3.43, 0.15, 0.00	78.7	0.51

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=11.44 and residual=11.02)
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	38.9	10.74	1.00	7.06	27.2	3.06, 1.69, 0.00	38.9	0.80
	141-526	386	2856	92.6	43.98	1.00	14.80	65.0	3.59, 0.00, 0.24	92.6	0.57

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=7.02 and residual=4.15)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-149	148	1059	40.1	11.66	1.00	7.10	29.0	2.89, 1.80, 0.00	40.1	0.78
	150-395	246	1846	121.3	23.80	1.00	7.85	-26.1	6.77, 0.00, 0.57	121.3	0.78
	396-526	131	950	39.0	13.06	1.00	6.24	24.3	5.71, 2.73, 0.00	39.0	0.75

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=6.46 and residual=3.51)
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	39.9	10.07	1.00	5.65	33.3	0.00, 10.25, 0.00	39.9	0.80
	79-188	110	771	56.0	24.11	1.00	6.90	23.4	0.00, 3.33, 8.49	56.0	0.59
	189-395	207	1565	128.1	18.38	1.00	7.50	6.9	6.29, 0.00, 0.64	128.1	0.84
	396-526	131	950	39.0	13.06	1.00	6.24	24.3	5.71, 2.73, 0.00	39.0	0.75

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=5.78 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>
	2-138	137	985	38.5	10.11	1.00	7.05	26.9	2.97, 1.45, 0.00	38.5	0.81
	139-203	65	478	87.2	19.52	1.00	6.29	60.6	10.04, 0.00, 2.98	87.2	0.78
	204-368	165	1251	134.5	13.11	1.00	5.72	110.5	0.00, 4.14, 2.56	134.5	0.90
	369-411	43	307	82.8	22.70	1.00	5.68	73.7	0.00, 9.37, 0.00	82.8	0.70
	412-526	115	834	36.2	9.91	1.00	5.61	25.5	0.00, 2.64, 4.52	36.2	0.80

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=5.21 and residual=2.29)
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	39.9	10.07	1.00	5.65	33.3	0.00, 10.25, 0.00	39.9	0.80
	79-186	108	755	55.1	23.57	1.00	6.93	23.2	0.00, 3.30, 8.69	55.1	0.60
	187-274	88	671	135.9	17.07	1.00	5.86	132.6	3.71, 0.00, 0.00	135.9	0.86
	275-368	94	719	128.4	11.75	1.00	3.73	103.8	0.00, 3.99, 2.15	128.4	0.89
	369-411	43	307	82.8	22.70	1.00	5.68	73.7	0.00, 9.37, 0.00	82.8	0.70
	412-526	115	834	36.2	9.91	1.00	5.61	25.5	0.00, 2.64, 4.52	36.2	0.80

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=4.81 and residual=1.94)
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	39.9	10.07	1.00	5.65	33.3	0.00, 10.25, 0.00	39.9	0.80
	79-150	72	498	40.8	13.47	1.00	5.30	23.0	11.76, 4.98, 0.00	40.8	0.71
	151-203	53	396	92.3	17.18	1.00	5.47	71.4	9.47, 4.45, 0.06	92.3	0.82
	204-274	71	532	142.7	10.06	1.00	4.15	87.8	1.62, 0.92, 0.00	142.7	0.92
	275-368	94	719	128.4	11.75	1.00	3.73	103.8	0.00, 3.99, 2.15	128.4	0.89
	369-411	43	307	82.8	22.70	1.00	5.68	73.7	0.00, 9.37, 0.00	82.8	0.70
	412-526	115	834	36.2	9.91	1.00	5.61	25.5	0.00, 2.64, 4.52	36.2	0.80

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=4.58 and residual=1.77)
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	39.9	10.07	1.00	5.65	33.3	0.00, 10.25, 0.00	39.9	0.80
	79-150	72	498	40.8	13.47	1.00	5.30	23.0	11.76, 4.98, 0.00	40.8	0.71
	151-203	53	396	92.3	17.18	1.00	5.47	71.4	9.47, 4.45, 0.06	92.3	0.82
	204-274	71	532	142.7	10.06	1.00	4.15	87.8	1.62, 0.92, 0.00	142.7	0.92
	275-367	93	708	128.6	11.75	1.00	3.63	103.0	3.92, 0.00, 1.95	128.6	0.89
	368-400	33	239	94.3	14.71	1.00	5.29	81.3	0.00, 9.19, 0.00	94.3	0.83
	401-444	44	308	36.5	12.37	1.00	3.93	25.1	14.58, 0.00, 2.54	36.5	0.72
	445-526	82	605	38.1	10.58	1.00	5.16	23.1	9.70, 0.00, 3.21	38.1	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=4.37 and residual=1.61)
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	39.9	10.07	1.00	5.65	33.3	0.00, 10.25, 0.00	39.9	0.80
	79-150	72	498	40.8	13.47	1.00	5.30	23.0	11.76, 4.98, 0.00	40.8	0.71
	151-182	32	223	80.4	8.99	1.00	3.59	67.8	11.43, 2.13, 6.28	80.4	0.88
	183-204	22	184	109.4	13.62	1.00	3.46	99.4	5.39, 0.00, 1.04	109.4	0.86
	205-274	70	521	142.8	10.11	1.00	4.12	81.8	1.55, 0.80, 0.00	142.8	0.92
	275-367	93	708	128.6	11.75	1.00	3.63	103.0	3.92, 0.00, 1.95	128.6	0.89
	368-400	33	239	94.3	14.71	1.00	5.29	81.3	0.00, 9.19, 0.00	94.3	0.83
	401-444	44	308	36.5	12.37	1.00	3.93	25.1	14.58, 0.00, 2.54	36.5	0.72
	445-526	82	605	38.1	10.58	1.00	5.16	23.1	9.70, 0.00, 3.21	38.1	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=4.19 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	39.9	10.07	1.00	5.65	33.3	0.00, 10.25, 0.00	39.9	0.80
	79-150	72	498	40.8	13.47	1.00	5.30	23.0	11.76, 4.98, 0.00	40.8	0.71
	151-182	32	223	80.4	8.99	1.00	3.59	67.8	11.43, 2.13, 6.28	80.4	0.88
	183-204	22	184	109.4	13.62	1.00	3.46	99.4	5.39, 0.00, 1.04	109.4	0.86
	205-274	70	521	142.8	10.11	1.00	4.12	81.8	1.55, 0.80, 0.00	142.8	0.92
	275-367	93	708	128.6	11.75	1.00	3.63	103.0	3.92, 0.00, 1.95	128.6	0.89
	368-400	33	239	94.3	14.71	1.00	5.29	81.3	0.00, 9.19, 0.00	94.3	0.83
	401-444	44	308	36.5	12.37	1.00	3.93	25.1	14.58, 0.00, 2.54	36.5	0.72
	445-494	50	370	38.4	8.12	1.00	3.90	23.2	10.41, 0.00, 4.55	38.4	0.80
	495-526	32	235	37.7	13.57	1.00	4.70	27.5	17.49, 0.00, 0.52	37.7	0.73

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>
	2-17	16	115	40.7	6.43	1.00	4.51	36.8	0.00, 15.44, 0.00	40.7	0.88
	18-78	61	454	39.7	10.79	1.00	5.12	30.3	2.57, 0.00, 9.73	39.7	0.76
	79-150	72	498	40.8	13.47	1.00	5.30	23.0	11.76, 4.98, 0.00	40.8	0.71
	151-182	32	223	80.4	8.99	1.00	3.59	67.8	11.43, 2.13, 6.28	80.4	0.88
	183-204	22	184	109.4	13.62	1.00	3.46	99.4	5.39, 0.00, 1.04	109.4	0.86
	205-274	70	521	142.8	10.11	1.00	4.12	81.8	1.55, 0.80, 0.00	142.8	0.92
	275-367	93	708	128.6	11.75	1.00	3.63	103.0	3.92, 0.00, 1.95	128.6	0.89
	368-400	33	239	94.3	14.71	1.00	5.29	81.3	0.00, 9.19, 0.00	94.3	0.83
	401-444	44	308	36.5	12.37	1.00	3.93	25.1	14.58, 0.00, 2.54	36.5	0.72
	445-494	50	370	38.4	8.12	1.00	3.90	23.2	10.41, 0.00, 4.55	38.4	0.80
	495-526	32	235	37.7	13.57	1.00	4.70	27.5	17.49, 0.00, 0.52	37.7	0.73

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=3.92 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>
	2-17	16	115	40.7	6.43	1.00	4.51	36.8	0.00, 15.44, 0.00	40.7	0.88
	18-78	61	454	39.7	10.79	1.00	5.12	30.3	2.57, 0.00, 9.73	39.7	0.76
	79-150	72	498	40.8	13.47	1.00	5.30	23.0	11.76, 4.98, 0.00	40.8	0.71
	151-180	30	212	79.4	8.09	1.00	3.53	67.4	12.15, 5.28, 3.50	79.4	0.89
	181-201	21	165	104.0	8.13	1.00	2.77	94.9	0.00, 2.24, 5.41	104.0	0.92
	202-226	25	199	133.2	4.07	1.00	1.59	129.8	0.00, 4.05, 0.00	133.2	0.97
	227-274	48	352	147.6	8.53	1.00	4.30	119.4	1.26, 0.00, 0.00	147.6	0.93
	275-367	93	708	128.6	11.75	1.00	3.63	103.0	3.92, 0.00, 1.95	128.6	0.89
	368-400	33	239	94.3	14.71	1.00	5.29	81.3	0.00, 9.19, 0.00	94.3	0.83
	401-444	44	308	36.5	12.37	1.00	3.93	25.1	14.58, 0.00, 2.54	36.5	0.72
	445-494	50	370	38.4	8.12	1.00	3.90	23.2	10.41, 0.00, 4.55	38.4	0.80
	495-526	32	235	37.7	13.57	1.00	4.70	27.5	17.49, 0.00, 0.52	37.7	0.73

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=3.79 and residual=1.21)
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	40.7	6.43	1.00	4.51	36.8	0.00, 15.44, 0.00	40.7	0.88
	18-78	61	454	39.7	10.79	1.00	5.12	30.3	2.57, 0.00, 9.73	39.7	0.76
	79-150	72	498	40.8	13.47	1.00	5.30	23.0	11.76, 4.98, 0.00	40.8	0.71
	151-180	30	212	79.4	8.09	1.00	3.53	67.4	12.15, 5.28, 3.50	79.4	0.89
	181-201	21	165	104.0	8.13	1.00	2.77	94.9	0.00, 2.24, 5.41	104.0	0.92
	202-226	25	199	133.2	4.07	1.00	1.59	129.8	0.00, 4.05, 0.00	133.2	0.97
	227-274	48	352	147.6	8.53	1.00	4.30	119.4	1.26, 0.00, 0.00	147.6	0.93
	275-356	82	612	128.2	12.38	1.00	3.64	102.3	4.12, 0.00, 2.02	128.2	0.89
	357-375	19	149	121.3	15.40	1.00	3.86	121.3	0.00, 0.00, 0.00	121.3	0.86
	376-400	25	186	91.8	14.74	1.00	3.80	89.1	0.00, 7.51, 0.00	91.8	0.82
	401-444	44	308	36.5	12.37	1.00	3.93	25.1	14.58, 0.00, 2.54	36.5	0.72
	445-494	50	370	38.4	8.12	1.00	3.90	23.2	10.41, 0.00, 4.55	38.4	0.80
	495-526	32	235	37.7	13.57	1.00	4.70	27.5	17.49, 0.00, 0.52	37.7	0.73

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=3.66 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	40.7	6.43	1.00	4.51	36.8	0.00, 15.44, 0.00	40.7	0.88
	18-72	55	409	39.1	10.95	1.00	5.09	30.1	9.11, 1.48, 0.00	39.1	0.75
	73-110	38	253	38.1	10.11	1.00	4.32	29.5	0.00, 3.91, 9.06	38.1	0.76
	111-150	40	290	43.8	14.78	1.00	5.59	23.6	19.69, 5.07, 0.00	43.8	0.68
	151-180	30	212	79.4	8.09	1.00	3.53	67.4	12.15, 5.28, 3.50	79.4	0.89
	181-201	21	165	104.0	8.13	1.00	2.77	94.9	0.00, 2.24, 5.41	104.0	0.92
	202-226	25	199	133.2	4.07	1.00	1.59	129.8	0.00, 4.05, 0.00	133.2	0.97
	227-274	48	352	147.6	8.53	1.00	4.30	119.4	1.26, 0.00, 0.00	147.6	0.93
	275-356	82	612	128.2	12.38	1.00	3.64	102.3	4.12, 0.00, 2.02	128.2	0.89
	357-375	19	149	121.3	15.40	1.00	3.86	121.3	0.00, 0.00, 0.00	121.3	0.86
	376-400	25	186	91.8	14.74	1.00	3.80	89.1	0.00, 7.51, 0.00	91.8	0.82
	401-444	44	308	36.5	12.37	1.00	3.93	25.1	14.58, 0.00, 2.54	36.5	0.72
	445-494	50	370	38.4	8.12	1.00	3.90	23.2	10.41, 0.00, 4.55	38.4	0.80
	495-526	32	235	37.7	13.57	1.00	4.70	27.5	17.49, 0.00, 0.52	37.7	0.73

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=3.56 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	40.7	6.43	1.00	4.51	36.8	0.00, 15.44, 0.00	40.7	0.88
	18-72	55	409	39.1	10.95	1.00	5.09	30.1	9.11, 1.48, 0.00	39.1	0.75
	73-110	38	253	38.1	10.11	1.00	4.32	29.5	0.00, 3.91, 9.06	38.1	0.76
	111-130	20	152	34.9	9.51	1.00	4.63	24.7	37.29, 7.73, 0.00	34.9	0.77
	131-150	20	138	53.5	13.38	1.00	4.01	47.8	0.00, 0.00, 0.00	53.5	0.73
	151-180	30	212	79.4	8.09	1.00	3.53	67.4	12.15, 5.28, 3.50	79.4	0.89
	181-201	21	165	104.0	8.13	1.00	2.77	94.9	0.00, 2.24, 5.41	104.0	0.92
	202-226	25	199	133.2	4.07	1.00	1.59	129.8	0.00, 4.05, 0.00	133.2	0.97
	227-274	48	352	147.6	8.53	1.00	4.30	119.4	1.26, 0.00, 0.00	147.6	0.93
	275-356	82	612	128.2	12.38	1.00	3.64	102.3	4.12, 0.00, 2.02	128.2	0.89
	357-375	19	149	121.3	15.40	1.00	3.86	121.3	0.00, 0.00, 0.00	121.3	0.86
	376-400	25	186	91.8	14.74	1.00	3.80	89.1	0.00, 7.51, 0.00	91.8	0.82
	401-444	44	308	36.5	12.37	1.00	3.93	25.1	14.58, 0.00, 2.54	36.5	0.72
	445-494	50	370	38.4	8.12	1.00	3.90	23.2	10.41, 0.00, 4.55	38.4	0.80
	495-526	32	235	37.7	13.57	1.00	4.70	27.5	17.49, 0.00, 0.52	37.7	0.73

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=3.45 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	40.7	6.43	1.00	4.51	36.8	0.00, 15.44, 0.00	40.7	0.88
	18-72	55	409	39.1	10.95	1.00	5.09	30.1	9.11, 1.48, 0.00	39.1	0.75
	73-110	38	253	38.1	10.11	1.00	4.32	29.5	0.00, 3.91, 9.06	38.1	0.76
	111-130	20	152	34.9	9.51	1.00	4.63	24.7	37.29, 7.73, 0.00	34.9	0.77
	131-150	20	138	53.5	13.38	1.00	4.01	47.8	0.00, 0.00, 0.00	53.5	0.73
	151-180	30	212	79.4	8.09	1.00	3.53	67.4	12.15, 5.28, 3.50	79.4	0.89
	181-201	21	165	104.0	8.13	1.00	2.77	94.9	0.00, 2.24, 5.41	104.0	0.92
	202-226	25	199	133.2	4.07	1.00	1.59	129.8	0.00, 4.05, 0.00	133.2	0.97
	227-274	48	352	147.6	8.53	1.00	4.30	119.4	1.26, 0.00, 0.00	147.6	0.93
	275-356	82	612	128.2	12.38	1.00	3.64	102.3	4.12, 0.00, 2.02	128.2	0.89
	357-375	19	149	121.3	15.40	1.00	3.86	121.3	0.00, 0.00, 0.00	121.3	0.86
	376-400	25	186	91.8	14.74	1.00	3.80	89.1	0.00, 7.51, 0.00	91.8	0.82
	401-444	44	308	36.5	12.37	1.00	3.93	25.1	14.58, 0.00, 2.54	36.5	0.72
	445-494	50	370	38.4	8.12	1.00	3.90	23.2	10.41, 0.00, 4.55	38.4	0.80
	495-517	23	166	32.1	4.89	1.00	2.65	27.2	27.07, 1.50, 0.00	32.1	0.87
	518-526	9	69	50.9	17.90	1.00	3.19	30.6	0.00, 24.64, 22.45	50.9	0.69

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=3.34 and residual=0.94)
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	40.7	6.43	1.00	4.51	36.8	0.00, 15.44, 0.00	40.7	0.88
	18-52	35	255	38.4	12.09	1.00	4.67	28.1	8.51, 3.87, 0.00	38.4	0.73
	53-78	26	199	41.4	8.56	1.00	3.91	32.2	20.93, 4.10, 0.00	41.4	0.82
	79-110	32	208	36.6	10.00	1.00	3.35	25.6	0.00, 4.30, 11.74	36.6	0.76
	111-130	20	152	34.9	9.51	1.00	4.63	24.7	37.29, 7.73, 0.00	34.9	0.77
	131-150	20	138	53.5	13.38	1.00	4.01	47.8	0.00, 0.00, 0.00	53.5	0.73
	151-180	30	212	79.4	8.09	1.00	3.53	67.4	12.15, 5.28, 3.50	79.4	0.89
	181-201	21	165	104.0	8.13	1.00	2.77	94.9	0.00, 2.24, 5.41	104.0	0.92
	202-226	25	199	133.2	4.07	1.00	1.59	129.8	0.00, 4.05, 0.00	133.2	0.97
	227-274	48	352	147.6	8.53	1.00	4.30	119.4	1.26, 0.00, 0.00	147.6	0.93
	275-356	82	612	128.2	12.38	1.00	3.64	102.3	4.12, 0.00, 2.02	128.2	0.89
	357-375	19	149	121.3	15.40	1.00	3.86	121.3	0.00, 0.00, 0.00	121.3	0.86
	376-400	25	186	91.8	14.74	1.00	3.80	89.1	0.00, 7.51, 0.00	91.8	0.82
	401-444	44	308	36.5	12.37	1.00	3.93	25.1	14.58, 0.00, 2.54	36.5	0.72
	445-494	50	370	38.4	8.12	1.00	3.90	23.2	10.41, 0.00, 4.55	38.4	0.80
	495-517	23	166	32.1	4.89	1.00	2.65	27.2	27.07, 1.50, 0.00	32.1	0.87
	518-526	9	69	50.9	17.90	1.00	3.19	30.6	0.00, 24.64, 22.45	50.9	0.69

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=3.25 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	40.7	6.43	1.00	4.51	36.8	0.00, 15.44, 0.00	40.7	0.88
	18-52	35	255	38.4	12.09	1.00	4.67	28.1	8.51, 3.87, 0.00	38.4	0.73
	53-78	26	199	41.4	8.56	1.00	3.91	32.2	20.93, 4.10, 0.00	41.4	0.82
	79-110	32	208	36.6	10.00	1.00	3.35	25.6	0.00, 4.30, 11.74	36.6	0.76
	111-130	20	152	34.9	9.51	1.00	4.63	24.7	37.29, 7.73, 0.00	34.9	0.77
	131-150	20	138	53.5	13.38	1.00	4.01	47.8	0.00, 0.00, 0.00	53.5	0.73
	151-180	30	212	79.4	8.09	1.00	3.53	67.4	12.15, 5.28, 3.50	79.4	0.89
	181-201	21	165	104.0	8.13	1.00	2.77	94.9	0.00, 2.24, 5.41	104.0	0.92
	202-226	25	199	133.2	4.07	1.00	1.59	129.8	0.00, 4.05, 0.00	133.2	0.97
	227-269	43	316	148.4	8.30	1.00	3.95	148.2	0.00, 0.54, 0.00	148.4	0.93
	270-315	46	338	133.1	10.55	1.00	3.59	116.8	0.00, 1.27, 4.40	133.1	0.91
	316-361	46	351	125.6	12.51	1.00	2.95	97.6	4.13, 0.00, 1.22	125.6	0.88
	362-375	14	108	115.9	14.70	1.00	3.19	115.9	0.00, 0.00, 0.00	115.9	0.86
	376-400	25	186	91.8	14.74	1.00	3.80	89.1	0.00, 7.51, 0.00	91.8	0.82
	401-444	44	308	36.5	12.37	1.00	3.93	25.1	14.58, 0.00, 2.54	36.5	0.72
	445-494	50	370	38.4	8.12	1.00	3.90	23.2	10.41, 0.00, 4.55	38.4	0.80
	495-517	23	166	32.1	4.89	1.00	2.65	27.2	27.07, 1.50, 0.00	32.1	0.87
	518-526	9	69	50.9	17.90	1.00	3.19	30.6	0.00, 24.64, 22.45	50.9	0.69

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=3.16 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	40.7	6.43	1.00	4.51	36.8	0.00, 15.44, 0.00	40.7	0.88
	18-52	35	255	38.4	12.09	1.00	4.67	28.1	8.51, 3.87, 0.00	38.4	0.73
	53-78	26	199	41.4	8.56	1.00	3.91	32.2	20.93, 4.10, 0.00	41.4	0.82
	79-110	32	208	36.6	10.00	1.00	3.35	25.6	0.00, 4.30, 11.74	36.6	0.76
	111-130	20	152	34.9	9.51	1.00	4.63	24.7	37.29, 7.73, 0.00	34.9	0.77
	131-150	20	138	53.5	13.38	1.00	4.01	47.8	0.00, 0.00, 0.00	53.5	0.73
	151-180	30	212	79.4	8.09	1.00	3.53	67.4	12.15, 5.28, 3.50	79.4	0.89
	181-201	21	165	104.0	8.13	1.00	2.77	94.9	0.00, 2.24, 5.41	104.0	0.92
	202-226	25	199	133.2	4.07	1.00	1.59	129.8	0.00, 4.05, 0.00	133.2	0.97
	227-269	43	316	148.4	8.30	1.00	3.95	148.2	0.00, 0.54, 0.00	148.4	0.93
	270-309	40	291	132.0	10.78	1.00	3.27	119.0	6.18, 0.00, 0.10	132.0	0.91
	310-338	29	217	119.6	12.53	1.00	2.76	107.6	0.00, 3.81, 5.78	119.6	0.89
	339-361	23	181	136.4	4.02	1.00	1.58	134.7	0.00, 7.02, 0.00	136.4	0.96
	362-375	14	108	115.9	14.70	1.00	3.19	115.9	0.00, 0.00, 0.00	115.9	0.86
	376-400	25	186	91.8	14.74	1.00	3.80	89.1	0.00, 7.51, 0.00	91.8	0.82
	401-444	44	308	36.5	12.37	1.00	3.93	25.1	14.58, 0.00, 2.54	36.5	0.72
	445-494	50	370	38.4	8.12	1.00	3.90	23.2	10.41, 0.00, 4.55	38.4	0.80
	495-517	23	166	32.1	4.89	1.00	2.65	27.2	27.07, 1.50, 0.00	32.1	0.87
	518-526	9	69	50.9	17.90	1.00	3.19	30.6	0.00, 24.64, 22.45	50.9	0.69

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=3.08 and residual=0.80)
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	40.7	6.43	1.00	4.51	36.8	0.00, 15.44, 0.00	40.7	0.88
	18-52	35	255	38.4	12.09	1.00	4.67	28.1	8.51, 3.87, 0.00	38.4	0.73
	53-78	26	199	41.4	8.56	1.00	3.91	32.2	20.93, 4.10, 0.00	41.4	0.82
	79-110	32	208	36.6	10.00	1.00	3.35	25.6	0.00, 4.30, 11.74	36.6	0.76
	111-130	20	152	34.9	9.51	1.00	4.63	24.7	37.29, 7.73, 0.00	34.9	0.77
	131-150	20	138	53.5	13.38	1.00	4.01	47.8	0.00, 0.00, 0.00	53.5	0.73
	151-180	30	212	79.4	8.09	1.00	3.53	67.4	12.15, 5.28, 3.50	79.4	0.89
	181-201	21	165	104.0	8.13	1.00	2.77	94.9	0.00, 2.24, 5.41	104.0	0.92
	202-226	25	199	133.2	4.07	1.00	1.59	129.8	0.00, 4.05, 0.00	133.2	0.97
	227-269	43	316	148.4	8.30	1.00	3.95	148.2	0.00, 0.54, 0.00	148.4	0.93
	270-309	40	291	132.0	10.78	1.00	3.27	119.0	6.18, 0.00, 0.10	132.0	0.91
	310-338	29	217	119.6	12.53	1.00	2.76	107.6	0.00, 3.81, 5.78	119.6	0.89
	339-361	23	181	136.4	4.02	1.00	1.58	134.7	0.00, 7.02, 0.00	136.4	0.96
	362-375	14	108	115.9	14.70	1.00	3.19	115.9	0.00, 0.00, 0.00	115.9	0.86
	376-400	25	186	91.8	14.74	1.00	3.80	89.1	0.00, 7.51, 0.00	91.8	0.82
	401-424	24	160	41.5	14.48	1.00	2.73	30.7	11.98, 0.00, 4.83	41.5	0.70
	425-447	23	172	31.8	7.14	1.00	4.24	23.1	0.00, 8.85, 17.76	31.8	0.82
	448-494	47	346	38.6	7.83	1.00	3.65	26.8	10.80, 0.00, 5.31	38.6	0.80
	495-517	23	166	32.1	4.89	1.00	2.65	27.2	27.07, 1.50, 0.00	32.1	0.87
	518-526	9	69	50.9	17.90	1.00	3.19	30.6	0.00, 24.64, 22.45	50.9	0.69

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1 Released 11 February 2010