1KP8: Chain A TLS Analysis

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1

1KP8: Chain A TLS Analysis

Chain A 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 A

# 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=11.65 and residual=11.43)
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	71.1	31.61	1.00	11.89	-9.5	4.41, 0.93, 0.00	71.1	0.61

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=8.81 and residual=6.54)
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	41.5	10.48	1.00	6.50	31.6	4.30, 1.49, 0.00	41.5	0.81
	139-526	388	2870	81.2	30.04	1.00	11.55	-2.3	5.04, 0.89, 0.00	81.2	0.66

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=6.49 and residual=3.55)
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	41.5	10.48	1.00	6.50	31.6	4.30, 1.49, 0.00	41.5	0.81
	139-398	260	1944	99.1	17.16	1.00	6.98	70.0	7.62, 1.88, 0.00	99.1	0.82
	399-526	128	926	43.7	10.11	1.00	5.79	30.0	5.82, 1.57, 0.55	43.7	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=6.07 and residual=3.11)
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	41.0	10.50	1.00	5.73	33.3	10.57, 0.01, 0.00	41.0	0.80
	79-163	85	588	51.4	17.18	1.00	5.29	28.7	12.48, 0.00, 4.05	51.4	0.67
	164-395	232	1748	102.0	15.40	1.00	6.81	78.0	6.77, 2.70, 0.48	102.0	0.85
	396-526	131	950	44.4	10.98	1.00	5.95	29.9	5.91, 0.52, 1.49	44.4	0.79

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=5.63 and residual=2.67)
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	41.0	10.50	1.00	5.73	33.3	10.57, 0.01, 0.00	41.0	0.80
	79-186	108	755	59.7	22.43	1.00	5.97	30.4	9.97, 3.51, 0.00	59.7	0.63
	187-283	97	731	104.2	14.39	1.00	5.22	94.9	7.58, 0.33, 0.00	104.2	0.85
	284-398	115	874	101.8	16.14	1.00	5.98	75.4	8.64, 0.64, 2.41	101.8	0.84
	399-526	128	926	43.7	10.11	1.00	5.79	30.0	5.82, 1.57, 0.55	43.7	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=5.29 and residual=2.36)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-78	77	569	41.0	10.50	1.00	5.73	33.3	10.57, 0.01, 0.00	41.0	0.80
	79-164	86	597	51.9	17.51	1.00	5.25	28.7	12.46, 0.00, 4.03	51.9	0.66
	165-203	39	297	87.9	11.93	1.00	4.35	73.9	8.18, 3.40, 0.00	87.9	0.86
	204-299	96	711	105.5	12.64	1.00	5.14	80.1	0.46, 4.09, 2.44	105.5	0.87
	300-398	99	755	103.5	16.59	1.00	5.66	73.4	7.76, 0.66, 1.56	103.5	0.84
	399-526	128	926	43.7	10.11	1.00	5.79	30.0	5.82, 1.57, 0.55	43.7	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=5.03 and residual=2.13)
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	41.0	10.50	1.00	5.73	33.3	10.57, 0.01, 0.00	41.0	0.80
	79-164	86	597	51.9	17.51	1.00	5.25	28.7	12.46, 0.00, 4.03	51.9	0.66
	165-203	39	297	87.9	11.93	1.00	4.35	73.9	8.18, 3.40, 0.00	87.9	0.86
	204-329	126	942	105.0	12.60	1.00	5.05	52.1	5.63, 1.34, 0.00	105.0	0.86
	330-364	35	272	113.6	15.73	1.00	3.18	110.2	0.00, 4.78, 0.00	113.6	0.86
	365-408	44	324	84.7	19.20	1.00	6.07	70.4	0.00, 9.43, 0.00	84.7	0.77
	409-526	118	854	42.6	9.41	1.00	5.71	30.4	5.42, 2.17, 0.00	42.6	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=4.82 and residual=1.95)
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	41.0	10.50	1.00	5.73	33.3	10.57, 0.01, 0.00	41.0	0.80
	79-164	86	597	51.9	17.51	1.00	5.25	28.7	12.46, 0.00, 4.03	51.9	0.66
	165-203	39	297	87.9	11.93	1.00	4.35	73.9	8.18, 3.40, 0.00	87.9	0.86
	204-329	126	942	105.0	12.60	1.00	5.05	52.1	5.63, 1.34, 0.00	105.0	0.86
	330-364	35	272	113.6	15.73	1.00	3.18	110.2	0.00, 4.78, 0.00	113.6	0.86
	365-398	34	252	92.5	13.63	1.00	4.95	76.0	9.27, 0.00, 0.00	92.5	0.86
	399-513	115	827	43.4	8.82	1.00	5.11	30.0	5.66, 0.43, 2.07	43.4	0.83
	514-526	13	99	46.3	17.30	1.00	4.31	28.0	38.27, 11.02, 0.00	46.3	0.66

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=4.63 and residual=1.81)
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	41.0	10.50	1.00	5.73	33.3	10.57, 0.01, 0.00	41.0	0.80
	79-164	86	597	51.9	17.51	1.00	5.25	28.7	12.46, 0.00, 4.03	51.9	0.66
	165-203	39	297	87.9	11.93	1.00	4.35	73.9	8.18, 3.40, 0.00	87.9	0.86
	204-329	126	942	105.0	12.60	1.00	5.05	52.1	5.63, 1.34, 0.00	105.0	0.86
	330-364	35	272	113.6	15.73	1.00	3.18	110.2	0.00, 4.78, 0.00	113.6	0.86
	365-395	31	228	94.6	12.52	1.00	4.52	78.6	8.61, 0.42, 0.00	94.6	0.87
	396-444	49	345	47.5	11.60	1.00	4.50	34.2	12.39, 0.00, 1.78	47.5	0.77
	445-482	38	276	41.8	7.65	1.00	3.25	9.9	11.12, 1.27, 0.00	41.8	0.82
	483-526	44	329	43.5	11.90	1.00	5.14	31.4	11.92, 0.00, 1.47	43.5	0.77

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=4.46 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	41.0	10.50	1.00	5.73	33.3	10.57, 0.01, 0.00	41.0	0.80
	79-164	86	597	51.9	17.51	1.00	5.25	28.7	12.46, 0.00, 4.03	51.9	0.66
	165-203	39	297	87.9	11.93	1.00	4.35	73.9	8.18, 3.40, 0.00	87.9	0.86
	204-269	66	496	111.0	9.90	1.00	4.15	54.7	4.03, 0.00, 1.30	111.0	0.90
	270-303	34	245	94.5	9.43	1.00	4.45	88.4	6.19, 0.00, 2.01	94.5	0.91
	304-367	64	499	108.9	15.18	1.00	4.28	74.4	4.85, 0.00, 1.77	108.9	0.84
	368-399	32	231	90.4	14.14	1.00	4.82	79.5	0.00, 7.54, 0.00	90.4	0.85
	400-444	45	316	45.4	9.51	1.00	4.16	34.3	12.70, 0.00, 1.51	45.4	0.81
	445-482	38	276	41.8	7.65	1.00	3.25	9.9	11.12, 1.27, 0.00	41.8	0.82
	483-526	44	329	43.5	11.90	1.00	5.14	31.4	11.92, 0.00, 1.47	43.5	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=4.30 and residual=1.56)
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	41.0	10.50	1.00	5.73	33.3	10.57, 0.01, 0.00	41.0	0.80
	79-150	72	498	46.9	14.27	1.00	4.69	28.9	10.67, 0.00, 4.47	46.9	0.71
	151-175	25	177	78.9	7.78	1.00	4.01	68.3	12.33, 0.06, 0.00	78.9	0.91
	176-203	28	219	90.4	12.14	1.00	3.36	74.3	8.03, 2.20, 0.00	90.4	0.85
	204-269	66	496	111.0	9.90	1.00	4.15	54.7	4.03, 0.00, 1.30	111.0	0.90
	270-303	34	245	94.5	9.43	1.00	4.45	88.4	6.19, 0.00, 2.01	94.5	0.91
	304-367	64	499	108.9	15.18	1.00	4.28	74.4	4.85, 0.00, 1.77	108.9	0.84
	368-399	32	231	90.4	14.14	1.00	4.82	79.5	0.00, 7.54, 0.00	90.4	0.85
	400-444	45	316	45.4	9.51	1.00	4.16	34.3	12.70, 0.00, 1.51	45.4	0.81
	445-482	38	276	41.8	7.65	1.00	3.25	9.9	11.12, 1.27, 0.00	41.8	0.82
	483-526	44	329	43.5	11.90	1.00	5.14	31.4	11.92, 0.00, 1.47	43.5	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=4.15 and residual=1.45)
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	41.0	10.50	1.00	5.73	33.3	10.57, 0.01, 0.00	41.0	0.80
	79-150	72	498	46.9	14.27	1.00	4.69	28.9	10.67, 0.00, 4.47	46.9	0.71
	151-175	25	177	78.9	7.78	1.00	4.01	68.3	12.33, 0.06, 0.00	78.9	0.91
	176-203	28	219	90.4	12.14	1.00	3.36	74.3	8.03, 2.20, 0.00	90.4	0.85
	204-269	66	496	111.0	9.90	1.00	4.15	54.7	4.03, 0.00, 1.30	111.0	0.90
	270-303	34	245	94.5	9.43	1.00	4.45	88.4	6.19, 0.00, 2.01	94.5	0.91
	304-367	64	499	108.9	15.18	1.00	4.28	74.4	4.85, 0.00, 1.77	108.9	0.84
	368-399	32	231	90.4	14.14	1.00	4.82	79.5	0.00, 7.54, 0.00	90.4	0.85
	400-444	45	316	45.4	9.51	1.00	4.16	34.3	12.70, 0.00, 1.51	45.4	0.81
	445-482	38	276	41.8	7.65	1.00	3.25	9.9	11.12, 1.27, 0.00	41.8	0.82
	483-516	34	253	41.8	8.25	1.00	3.54	27.4	8.67, 2.85, 0.00	41.8	0.81
	517-526	10	76	49.1	18.59	1.00	2.81	26.0	30.69, 18.36, 0.00	49.1	0.64

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=4.02 and residual=1.36)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-33	32	227	37.1	7.52	1.00	4.74	33.0	12.23, 0.00, 0.00	37.1	0.84
	34-78	45	342	43.6	11.36	1.00	4.37	32.3	11.95, 2.11, 0.00	43.6	0.76
	79-150	72	498	46.9	14.27	1.00	4.69	28.9	10.67, 0.00, 4.47	46.9	0.71
	151-175	25	177	78.9	7.78	1.00	4.01	68.3	12.33, 0.06, 0.00	78.9	0.91
	176-203	28	219	90.4	12.14	1.00	3.36	74.3	8.03, 2.20, 0.00	90.4	0.85
	204-269	66	496	111.0	9.90	1.00	4.15	54.7	4.03, 0.00, 1.30	111.0	0.90
	270-303	34	245	94.5	9.43	1.00	4.45	88.4	6.19, 0.00, 2.01	94.5	0.91
	304-367	64	499	108.9	15.18	1.00	4.28	74.4	4.85, 0.00, 1.77	108.9	0.84
	368-399	32	231	90.4	14.14	1.00	4.82	79.5	0.00, 7.54, 0.00	90.4	0.85
	400-444	45	316	45.4	9.51	1.00	4.16	34.3	12.70, 0.00, 1.51	45.4	0.81
	445-482	38	276	41.8	7.65	1.00	3.25	9.9	11.12, 1.27, 0.00	41.8	0.82
	483-516	34	253	41.8	8.25	1.00	3.54	27.4	8.67, 2.85, 0.00	41.8	0.81
	517-526	10	76	49.1	18.59	1.00	2.81	26.0	30.69, 18.36, 0.00	49.1	0.64

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=3.89 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>
	2-33	32	227	37.1	7.52	1.00	4.74	33.0	12.23, 0.00, 0.00	37.1	0.84
	34-78	45	342	43.6	11.36	1.00	4.37	32.3	11.95, 2.11, 0.00	43.6	0.76
	79-150	72	498	46.9	14.27	1.00	4.69	28.9	10.67, 0.00, 4.47	46.9	0.71
	151-175	25	177	78.9	7.78	1.00	4.01	68.3	12.33, 0.06, 0.00	78.9	0.91
	176-203	28	219	90.4	12.14	1.00	3.36	74.3	8.03, 2.20, 0.00	90.4	0.85
	204-269	66	496	111.0	9.90	1.00	4.15	54.7	4.03, 0.00, 1.30	111.0	0.90
	270-329	60	446	98.4	11.91	1.00	4.66	83.3	4.80, 0.00, 1.67	98.4	0.86
	330-364	35	272	113.6	15.73	1.00	3.18	110.2	0.00, 4.78, 0.00	113.6	0.86
	365-388	24	168	94.6	12.90	1.00	3.30	77.6	0.00, 5.93, 4.93	94.6	0.86
	389-401	13	107	81.8	17.64	1.00	2.98	28.4	13.51, 0.00, 5.18	81.8	0.78
	402-444	43	298	44.6	9.29	1.00	4.10	34.3	12.90, 0.00, 1.86	44.6	0.81
	445-482	38	276	41.8	7.65	1.00	3.25	9.9	11.12, 1.27, 0.00	41.8	0.82
	483-516	34	253	41.8	8.25	1.00	3.54	27.4	8.67, 2.85, 0.00	41.8	0.81
	517-526	10	76	49.1	18.59	1.00	2.81	26.0	30.69, 18.36, 0.00	49.1	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=3.75 and residual=1.19)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-33	32	227	37.1	7.52	1.00	4.74	33.0	12.23, 0.00, 0.00	37.1	0.84
	34-78	45	342	43.6	11.36	1.00	4.37	32.3	11.95, 2.11, 0.00	43.6	0.76
	79-150	72	498	46.9	14.27	1.00	4.69	28.9	10.67, 0.00, 4.47	46.9	0.71
	151-175	25	177	78.9	7.78	1.00	4.01	68.3	12.33, 0.06, 0.00	78.9	0.91
	176-201	26	200	88.9	11.52	1.00	3.34	73.8	8.43, 2.46, 0.00	88.9	0.86
	202-229	28	221	105.2	6.41	1.00	2.42	99.2	6.46, 0.32, 0.00	105.2	0.93
	230-283	54	390	110.0	13.21	1.00	4.80	105.5	0.00, 7.14, 0.00	110.0	0.86
	284-329	46	350	99.4	12.17	1.00	4.15	80.9	0.00, 5.00, 3.32	99.4	0.86
	330-364	35	272	113.6	15.73	1.00	3.18	110.2	0.00, 4.78, 0.00	113.6	0.86
	365-388	24	168	94.6	12.90	1.00	3.30	77.6	0.00, 5.93, 4.93	94.6	0.86
	389-401	13	107	81.8	17.64	1.00	2.98	28.4	13.51, 0.00, 5.18	81.8	0.78
	402-444	43	298	44.6	9.29	1.00	4.10	34.3	12.90, 0.00, 1.86	44.6	0.81
	445-482	38	276	41.8	7.65	1.00	3.25	9.9	11.12, 1.27, 0.00	41.8	0.82
	483-516	34	253	41.8	8.25	1.00	3.54	27.4	8.67, 2.85, 0.00	41.8	0.81
	517-526	10	76	49.1	18.59	1.00	2.81	26.0	30.69, 18.36, 0.00	49.1	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=3.63 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>
	2-18	17	126	41.6	7.13	1.00	4.81	37.7	18.87, 0.00, 0.00	41.6	0.87
	19-48	30	212	39.7	13.89	1.00	3.41	29.2	0.00, 6.91, 5.85	39.7	0.69
	49-78	30	231	41.8	8.04	1.00	3.79	32.6	18.95, 4.29, 0.00	41.8	0.82
	79-150	72	498	46.9	14.27	1.00	4.69	28.9	10.67, 0.00, 4.47	46.9	0.71
	151-175	25	177	78.9	7.78	1.00	4.01	68.3	12.33, 0.06, 0.00	78.9	0.91
	176-201	26	200	88.9	11.52	1.00	3.34	73.8	8.43, 2.46, 0.00	88.9	0.86
	202-229	28	221	105.2	6.41	1.00	2.42	99.2	6.46, 0.32, 0.00	105.2	0.93
	230-283	54	390	110.0	13.21	1.00	4.80	105.5	0.00, 7.14, 0.00	110.0	0.86
	284-329	46	350	99.4	12.17	1.00	4.15	80.9	0.00, 5.00, 3.32	99.4	0.86
	330-364	35	272	113.6	15.73	1.00	3.18	110.2	0.00, 4.78, 0.00	113.6	0.86
	365-388	24	168	94.6	12.90	1.00	3.30	77.6	0.00, 5.93, 4.93	94.6	0.86
	389-401	13	107	81.8	17.64	1.00	2.98	28.4	13.51, 0.00, 5.18	81.8	0.78
	402-444	43	298	44.6	9.29	1.00	4.10	34.3	12.90, 0.00, 1.86	44.6	0.81
	445-482	38	276	41.8	7.65	1.00	3.25	9.9	11.12, 1.27, 0.00	41.8	0.82
	483-516	34	253	41.8	8.25	1.00	3.54	27.4	8.67, 2.85, 0.00	41.8	0.81
	517-526	10	76	49.1	18.59	1.00	2.81	26.0	30.69, 18.36, 0.00	49.1	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=3.51 and residual=1.04)
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	41.6	7.13	1.00	4.81	37.7	18.87, 0.00, 0.00	41.6	0.87
	19-48	30	212	39.7	13.89	1.00	3.41	29.2	0.00, 6.91, 5.85	39.7	0.69
	49-78	30	231	41.8	8.04	1.00	3.79	32.6	18.95, 4.29, 0.00	41.8	0.82
	79-150	72	498	46.9	14.27	1.00	4.69	28.9	10.67, 0.00, 4.47	46.9	0.71
	151-175	25	177	78.9	7.78	1.00	4.01	68.3	12.33, 0.06, 0.00	78.9	0.91
	176-201	26	200	88.9	11.52	1.00	3.34	73.8	8.43, 2.46, 0.00	88.9	0.86
	202-229	28	221	105.2	6.41	1.00	2.42	99.2	6.46, 0.32, 0.00	105.2	0.93
	230-266	37	271	114.4	9.75	1.00	4.07	110.5	6.30, 0.00, 0.00	114.4	0.90
	267-283	17	119	100.1	14.65	1.00	2.22	83.9	10.14, 3.97, 0.00	100.1	0.85
	284-329	46	350	99.4	12.17	1.00	4.15	80.9	0.00, 5.00, 3.32	99.4	0.86
	330-364	35	272	113.6	15.73	1.00	3.18	110.2	0.00, 4.78, 0.00	113.6	0.86
	365-388	24	168	94.6	12.90	1.00	3.30	77.6	0.00, 5.93, 4.93	94.6	0.86
	389-401	13	107	81.8	17.64	1.00	2.98	28.4	13.51, 0.00, 5.18	81.8	0.78
	402-444	43	298	44.6	9.29	1.00	4.10	34.3	12.90, 0.00, 1.86	44.6	0.81
	445-482	38	276	41.8	7.65	1.00	3.25	9.9	11.12, 1.27, 0.00	41.8	0.82
	483-516	34	253	41.8	8.25	1.00	3.54	27.4	8.67, 2.85, 0.00	41.8	0.81
	517-526	10	76	49.1	18.59	1.00	2.81	26.0	30.69, 18.36, 0.00	49.1	0.64

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=3.40 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>
	2-18	17	126	41.6	7.13	1.00	4.81	37.7	18.87, 0.00, 0.00	41.6	0.87
	19-48	30	212	39.7	13.89	1.00	3.41	29.2	0.00, 6.91, 5.85	39.7	0.69
	49-78	30	231	41.8	8.04	1.00	3.79	32.6	18.95, 4.29, 0.00	41.8	0.82
	79-150	72	498	46.9	14.27	1.00	4.69	28.9	10.67, 0.00, 4.47	46.9	0.71
	151-175	25	177	78.9	7.78	1.00	4.01	68.3	12.33, 0.06, 0.00	78.9	0.91
	176-201	26	200	88.9	11.52	1.00	3.34	73.8	8.43, 2.46, 0.00	88.9	0.86
	202-229	28	221	105.2	6.41	1.00	2.42	99.2	6.46, 0.32, 0.00	105.2	0.93
	230-266	37	271	114.4	9.75	1.00	4.07	110.5	6.30, 0.00, 0.00	114.4	0.90
	267-283	17	119	100.1	14.65	1.00	2.22	83.9	10.14, 3.97, 0.00	100.1	0.85
	284-299	16	119	91.3	6.31	1.00	2.17	85.1	0.00, 7.10, 8.33	91.3	0.93
	300-339	40	302	101.0	13.42	1.00	3.52	77.7	8.49, 3.01, 0.00	101.0	0.85
	340-364	25	201	121.0	7.94	1.00	2.25	120.2	0.00, 3.61, 0.00	121.0	0.92
	365-388	24	168	94.6	12.90	1.00	3.30	77.6	0.00, 5.93, 4.93	94.6	0.86
	389-401	13	107	81.8	17.64	1.00	2.98	28.4	13.51, 0.00, 5.18	81.8	0.78
	402-444	43	298	44.6	9.29	1.00	4.10	34.3	12.90, 0.00, 1.86	44.6	0.81
	445-482	38	276	41.8	7.65	1.00	3.25	9.9	11.12, 1.27, 0.00	41.8	0.82
	483-516	34	253	41.8	8.25	1.00	3.54	27.4	8.67, 2.85, 0.00	41.8	0.81
	517-526	10	76	49.1	18.59	1.00	2.81	26.0	30.69, 18.36, 0.00	49.1	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=3.29 and residual=0.91)
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	41.6	7.13	1.00	4.81	37.7	18.87, 0.00, 0.00	41.6	0.87
	19-48	30	212	39.7	13.89	1.00	3.41	29.2	0.00, 6.91, 5.85	39.7	0.69
	49-78	30	231	41.8	8.04	1.00	3.79	32.6	18.95, 4.29, 0.00	41.8	0.82
	79-117	39	264	38.5	7.99	1.00	3.50	28.2	12.14, 0.00, 4.82	38.5	0.81
	118-156	39	276	60.1	15.85	1.00	4.63	29.9	19.47, 0.00, 2.66	60.1	0.72
	157-175	19	135	78.1	8.00	1.00	3.98	74.3	0.00, 10.14, 0.00	78.1	0.89
	176-201	26	200	88.9	11.52	1.00	3.34	73.8	8.43, 2.46, 0.00	88.9	0.86
	202-229	28	221	105.2	6.41	1.00	2.42	99.2	6.46, 0.32, 0.00	105.2	0.93
	230-266	37	271	114.4	9.75	1.00	4.07	110.5	6.30, 0.00, 0.00	114.4	0.90
	267-283	17	119	100.1	14.65	1.00	2.22	83.9	10.14, 3.97, 0.00	100.1	0.85
	284-299	16	119	91.3	6.31	1.00	2.17	85.1	0.00, 7.10, 8.33	91.3	0.93
	300-339	40	302	101.0	13.42	1.00	3.52	77.7	8.49, 3.01, 0.00	101.0	0.85
	340-364	25	201	121.0	7.94	1.00	2.25	120.2	0.00, 3.61, 0.00	121.0	0.92
	365-388	24	168	94.6	12.90	1.00	3.30	77.6	0.00, 5.93, 4.93	94.6	0.86
	389-401	13	107	81.8	17.64	1.00	2.98	28.4	13.51, 0.00, 5.18	81.8	0.78
	402-444	43	298	44.6	9.29	1.00	4.10	34.3	12.90, 0.00, 1.86	44.6	0.81
	445-482	38	276	41.8	7.65	1.00	3.25	9.9	11.12, 1.27, 0.00	41.8	0.82
	483-516	34	253	41.8	8.25	1.00	3.54	27.4	8.67, 2.85, 0.00	41.8	0.81
	517-526	10	76	49.1	18.59	1.00	2.81	26.0	30.69, 18.36, 0.00	49.1	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=3.18 and residual=0.85)
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	41.6	7.13	1.00	4.81	37.7	18.87, 0.00, 0.00	41.6	0.87
	19-48	30	212	39.7	13.89	1.00	3.41	29.2	0.00, 6.91, 5.85	39.7	0.69
	49-78	30	231	41.8	8.04	1.00	3.79	32.6	18.95, 4.29, 0.00	41.8	0.82
	79-117	39	264	38.5	7.99	1.00	3.50	28.2	12.14, 0.00, 4.82	38.5	0.81
	118-156	39	276	60.1	15.85	1.00	4.63	29.9	19.47, 0.00, 2.66	60.1	0.72
	157-175	19	135	78.1	8.00	1.00	3.98	74.3	0.00, 10.14, 0.00	78.1	0.89
	176-201	26	200	88.9	11.52	1.00	3.34	73.8	8.43, 2.46, 0.00	88.9	0.86
	202-229	28	221	105.2	6.41	1.00	2.42	99.2	6.46, 0.32, 0.00	105.2	0.93
	230-266	37	271	114.4	9.75	1.00	4.07	110.5	6.30, 0.00, 0.00	114.4	0.90
	267-283	17	119	100.1	14.65	1.00	2.22	83.9	10.14, 3.97, 0.00	100.1	0.85
	284-299	16	119	91.3	6.31	1.00	2.17	85.1	0.00, 7.10, 8.33	91.3	0.93
	300-339	40	302	101.0	13.42	1.00	3.52	77.7	8.49, 3.01, 0.00	101.0	0.85
	340-364	25	201	121.0	7.94	1.00	2.25	120.2	0.00, 3.61, 0.00	121.0	0.92
	365-388	24	168	94.6	12.90	1.00	3.30	77.6	0.00, 5.93, 4.93	94.6	0.86
	389-401	13	107	81.8	17.64	1.00	2.98	28.4	13.51, 0.00, 5.18	81.8	0.78
	402-422	21	139	46.9	10.12	1.00	2.12	37.9	0.00, 5.27, 8.44	46.9	0.80
	423-444	22	159	42.7	7.99	1.00	2.74	31.9	0.01, 9.47, 12.11	42.7	0.82
	445-482	38	276	41.8	7.65	1.00	3.25	9.9	11.12, 1.27, 0.00	41.8	0.82
	483-516	34	253	41.8	8.25	1.00	3.54	27.4	8.67, 2.85, 0.00	41.8	0.81
	517-526	10	76	49.1	18.59	1.00	2.81	26.0	30.69, 18.36, 0.00	49.1	0.64

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1 Released 11 February 2010