1KP8: Chain C TLS Analysis

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1

1KP8: Chain C TLS Analysis

Chain C 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 C

# 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=13.67 and residual=15.73)
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	40.13	1.00	13.72	-113.3	0.00, 0.50, 3.47	81.5	0.57

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=10.78 and residual=9.79)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-192	191	1367	57.3	25.67	1.00	7.89	33.0	3.18, 0.00, 0.65	57.3	0.60
	193-526	334	2488	94.7	40.46	1.00	14.06	-80.7	3.34, 0.00, 0.51	94.7	0.61

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=6.83 and residual=3.93)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-133	132	951	42.3	10.61	1.00	6.94	32.9	4.32, 1.44, 0.00	42.3	0.82
	134-371	238	1784	119.6	19.92	1.00	7.45	109.8	6.23, 0.00, 0.08	119.6	0.82
	372-526	155	1120	53.9	20.91	1.00	7.11	32.6	4.67, 0.00, 1.71	53.9	0.69

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=6.12 and residual=3.16)
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	41.5	10.08	1.00	7.01	32.5	3.98, 1.48, 0.00	41.5	0.83
	129-203	75	552	92.6	17.63	1.00	5.90	40.4	5.88, 1.31, 0.00	92.6	0.80
	204-368	165	1251	129.8	10.67	1.00	5.07	115.5	5.01, 1.55, 0.00	129.8	0.92
	369-526	158	1141	54.9	21.93	1.00	7.17	32.2	4.90, 0.00, 1.75	54.9	0.68

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=5.52 and residual=2.56)
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	41.5	10.08	1.00	7.01	32.5	3.98, 1.48, 0.00	41.5	0.83
	129-203	75	552	92.6	17.63	1.00	5.90	40.4	5.88, 1.31, 0.00	92.6	0.80
	204-368	165	1251	129.8	10.67	1.00	5.07	115.5	5.01, 1.55, 0.00	129.8	0.92
	369-414	46	323	82.3	20.00	1.00	5.53	78.1	0.00, 4.72, 0.00	82.3	0.75
	415-526	112	818	44.1	9.99	1.00	5.56	30.3	5.93, 0.00, 2.03	44.1	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=5.10 and residual=2.19)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-72	71	524	41.1	10.48	1.00	5.90	33.8	10.96, 0.00, 0.00	41.1	0.81
	73-150	78	543	50.2	15.97	1.00	5.02	31.4	9.73, 4.40, 0.00	50.2	0.70
	151-203	53	396	101.4	11.17	1.00	5.17	86.5	6.17, 3.03, 0.08	101.4	0.89
	204-368	165	1251	129.8	10.67	1.00	5.07	115.5	5.01, 1.55, 0.00	129.8	0.92
	369-414	46	323	82.3	20.00	1.00	5.53	78.1	0.00, 4.72, 0.00	82.3	0.75
	415-526	112	818	44.1	9.99	1.00	5.56	30.3	5.93, 0.00, 2.03	44.1	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=4.75 and residual=1.90)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-72	71	524	41.1	10.48	1.00	5.90	33.8	10.96, 0.00, 0.00	41.1	0.81
	73-150	78	543	50.2	15.97	1.00	5.02	31.4	9.73, 4.40, 0.00	50.2	0.70
	151-203	53	396	101.4	11.17	1.00	5.17	86.5	6.17, 3.03, 0.08	101.4	0.89
	204-301	98	726	129.5	11.18	1.00	4.39	107.1	0.00, 2.28, 1.46	129.5	0.90
	302-367	66	514	130.5	9.84	1.00	3.33	102.3	3.54, 0.81, 0.00	130.5	0.91
	368-414	47	334	83.5	20.64	1.00	5.56	78.4	4.82, 0.00, 0.00	83.5	0.74
	415-526	112	818	44.1	9.99	1.00	5.56	30.3	5.93, 0.00, 2.03	44.1	0.80

Summary of Optimal TLS Group Partition using 8 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 8 Chain Segments (overall rmsd_b=4.56 and residual=1.75)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-72	71	524	41.1	10.48	1.00	5.90	33.8	10.96, 0.00, 0.00	41.1	0.81
	73-150	78	543	50.2	15.97	1.00	5.02	31.4	9.73, 4.40, 0.00	50.2	0.70
	151-203	53	396	101.4	11.17	1.00	5.17	86.5	6.17, 3.03, 0.08	101.4	0.89
	204-301	98	726	129.5	11.18	1.00	4.39	107.1	0.00, 2.28, 1.46	129.5	0.90
	302-367	66	514	130.5	9.84	1.00	3.33	102.3	3.54, 0.81, 0.00	130.5	0.91
	368-414	47	334	83.5	20.64	1.00	5.56	78.4	4.82, 0.00, 0.00	83.5	0.74
	415-482	68	489	44.2	8.51	1.00	5.01	33.2	9.41, 0.00, 2.49	44.2	0.83
	483-526	44	329	43.9	11.85	1.00	4.44	31.3	11.23, 0.00, 1.46	43.9	0.77

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=4.37 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>
	2-72	71	524	41.1	10.48	1.00	5.90	33.8	10.96, 0.00, 0.00	41.1	0.81
	73-149	77	535	49.8	15.78	1.00	4.88	31.9	9.34, 4.32, 0.00	49.8	0.70
	150-177	28	199	91.2	7.09	1.00	4.21	83.6	11.65, 0.00, 0.00	91.2	0.92
	178-203	26	205	110.2	6.34	1.00	2.76	102.9	6.12, 0.00, 0.60	110.2	0.94
	204-301	98	726	129.5	11.18	1.00	4.39	107.1	0.00, 2.28, 1.46	129.5	0.90
	302-367	66	514	130.5	9.84	1.00	3.33	102.3	3.54, 0.81, 0.00	130.5	0.91
	368-414	47	334	83.5	20.64	1.00	5.56	78.4	4.82, 0.00, 0.00	83.5	0.74
	415-482	68	489	44.2	8.51	1.00	5.01	33.2	9.41, 0.00, 2.49	44.2	0.83
	483-526	44	329	43.9	11.85	1.00	4.44	31.3	11.23, 0.00, 1.46	43.9	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=4.20 and residual=1.49)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-17	16	115	41.3	7.12	1.00	4.56	36.4	0.00, 19.97, 0.00	41.3	0.85
	18-72	55	409	41.1	11.25	1.00	5.14	31.3	10.83, 1.65, 0.00	41.1	0.77
	73-149	77	535	49.8	15.78	1.00	4.88	31.9	9.34, 4.32, 0.00	49.8	0.70
	150-177	28	199	91.2	7.09	1.00	4.21	83.6	11.65, 0.00, 0.00	91.2	0.92
	178-203	26	205	110.2	6.34	1.00	2.76	102.9	6.12, 0.00, 0.60	110.2	0.94
	204-301	98	726	129.5	11.18	1.00	4.39	107.1	0.00, 2.28, 1.46	129.5	0.90
	302-367	66	514	130.5	9.84	1.00	3.33	102.3	3.54, 0.81, 0.00	130.5	0.91
	368-414	47	334	83.5	20.64	1.00	5.56	78.4	4.82, 0.00, 0.00	83.5	0.74
	415-482	68	489	44.2	8.51	1.00	5.01	33.2	9.41, 0.00, 2.49	44.2	0.83
	483-526	44	329	43.9	11.85	1.00	4.44	31.3	11.23, 0.00, 1.46	43.9	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=4.03 and residual=1.37)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-17	16	115	41.3	7.12	1.00	4.56	36.4	0.00, 19.97, 0.00	41.3	0.85
	18-72	55	409	41.1	11.25	1.00	5.14	31.3	10.83, 1.65, 0.00	41.1	0.77
	73-149	77	535	49.8	15.78	1.00	4.88	31.9	9.34, 4.32, 0.00	49.8	0.70
	150-177	28	199	91.2	7.09	1.00	4.21	83.6	11.65, 0.00, 0.00	91.2	0.92
	178-203	26	205	110.2	6.34	1.00	2.76	102.9	6.12, 0.00, 0.60	110.2	0.94
	204-301	98	726	129.5	11.18	1.00	4.39	107.1	0.00, 2.28, 1.46	129.5	0.90
	302-367	66	514	130.5	9.84	1.00	3.33	102.3	3.54, 0.81, 0.00	130.5	0.91
	368-398	31	226	95.7	9.53	1.00	4.42	69.5	4.26, 1.05, 0.00	95.7	0.90
	399-444	46	321	48.5	11.56	1.00	4.73	35.9	12.55, 1.81, 0.00	48.5	0.78
	445-482	38	276	44.5	9.19	1.00	3.54	-10.9	13.13, 0.99, 0.00	44.5	0.80
	483-526	44	329	43.9	11.85	1.00	4.44	31.3	11.23, 0.00, 1.46	43.9	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=3.88 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>
	2-17	16	115	41.3	7.12	1.00	4.56	36.4	0.00, 19.97, 0.00	41.3	0.85
	18-72	55	409	41.1	11.25	1.00	5.14	31.3	10.83, 1.65, 0.00	41.1	0.77
	73-149	77	535	49.8	15.78	1.00	4.88	31.9	9.34, 4.32, 0.00	49.8	0.70
	150-177	28	199	91.2	7.09	1.00	4.21	83.6	11.65, 0.00, 0.00	91.2	0.92
	178-203	26	205	110.2	6.34	1.00	2.76	102.9	6.12, 0.00, 0.60	110.2	0.94
	204-301	98	726	129.5	11.18	1.00	4.39	107.1	0.00, 2.28, 1.46	129.5	0.90
	302-367	66	514	130.5	9.84	1.00	3.33	102.3	3.54, 0.81, 0.00	130.5	0.91
	368-389	22	150	99.8	6.95	1.00	2.34	90.5	5.48, 0.00, 0.87	99.8	0.93
	390-413	24	180	71.0	17.78	1.00	3.67	65.5	18.68, 0.00, 0.00	71.0	0.75
	414-444	31	217	43.6	7.58	1.00	3.85	35.4	14.98, 0.00, 1.37	43.6	0.84
	445-482	38	276	44.5	9.19	1.00	3.54	-10.9	13.13, 0.99, 0.00	44.5	0.80
	483-526	44	329	43.9	11.85	1.00	4.44	31.3	11.23, 0.00, 1.46	43.9	0.77

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>
	2-17	16	115	41.3	7.12	1.00	4.56	36.4	0.00, 19.97, 0.00	41.3	0.85
	18-72	55	409	41.1	11.25	1.00	5.14	31.3	10.83, 1.65, 0.00	41.1	0.77
	73-150	78	543	50.2	15.97	1.00	5.02	31.4	9.73, 4.40, 0.00	50.2	0.70
	151-183	33	231	94.6	8.58	1.00	4.23	83.6	0.00, 7.95, 3.97	94.6	0.91
	184-209	26	217	114.8	9.53	1.00	2.89	110.6	0.00, 6.80, 0.00	114.8	0.90
	210-273	64	475	135.2	8.60	1.00	4.14	120.0	3.44, 0.90, 0.00	135.2	0.93
	274-299	26	184	115.6	4.56	1.00	2.13	111.7	0.00, 10.82, 0.00	115.6	0.96
	300-367	68	529	130.5	9.71	1.00	3.32	105.1	3.63, 0.91, 0.04	130.5	0.91
	368-389	22	150	99.8	6.95	1.00	2.34	90.5	5.48, 0.00, 0.87	99.8	0.93
	390-413	24	180	71.0	17.78	1.00	3.67	65.5	18.68, 0.00, 0.00	71.0	0.75
	414-444	31	217	43.6	7.58	1.00	3.85	35.4	14.98, 0.00, 1.37	43.6	0.84
	445-482	38	276	44.5	9.19	1.00	3.54	-10.9	13.13, 0.99, 0.00	44.5	0.80
	483-526	44	329	43.9	11.85	1.00	4.44	31.3	11.23, 0.00, 1.46	43.9	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=3.61 and residual=1.09)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-17	16	115	41.3	7.12	1.00	4.56	36.4	0.00, 19.97, 0.00	41.3	0.85
	18-72	55	409	41.1	11.25	1.00	5.14	31.3	10.83, 1.65, 0.00	41.1	0.77
	73-149	77	535	49.8	15.78	1.00	4.88	31.9	9.34, 4.32, 0.00	49.8	0.70
	150-177	28	199	91.2	7.09	1.00	4.21	83.6	11.65, 0.00, 0.00	91.2	0.92
	178-202	25	193	109.2	5.21	1.00	2.70	102.6	6.77, 0.00, 0.82	109.2	0.95
	203-226	24	192	128.0	3.31	1.00	1.49	123.9	4.35, 0.00, 0.93	128.0	0.97
	227-273	47	347	137.7	8.57	1.00	4.47	109.0	2.19, 0.00, 0.00	137.7	0.93
	274-299	26	184	115.6	4.56	1.00	2.13	111.7	0.00, 10.82, 0.00	115.6	0.96
	300-367	68	529	130.5	9.71	1.00	3.32	105.1	3.63, 0.91, 0.04	130.5	0.91
	368-389	22	150	99.8	6.95	1.00	2.34	90.5	5.48, 0.00, 0.87	99.8	0.93
	390-413	24	180	71.0	17.78	1.00	3.67	65.5	18.68, 0.00, 0.00	71.0	0.75
	414-444	31	217	43.6	7.58	1.00	3.85	35.4	14.98, 0.00, 1.37	43.6	0.84
	445-482	38	276	44.5	9.19	1.00	3.54	-10.9	13.13, 0.99, 0.00	44.5	0.80
	483-526	44	329	43.9	11.85	1.00	4.44	31.3	11.23, 0.00, 1.46	43.9	0.77

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=3.48 and residual=1.02)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-17	16	115	41.3	7.12	1.00	4.56	36.4	0.00, 19.97, 0.00	41.3	0.85
	18-72	55	409	41.1	11.25	1.00	5.14	31.3	10.83, 1.65, 0.00	41.1	0.77
	73-117	45	309	41.6	9.61	1.00	3.86	32.4	7.59, 4.78, 0.00	41.6	0.79
	118-150	33	234	61.5	15.63	1.00	4.92	26.5	20.35, 2.02, 0.00	61.5	0.73
	151-177	27	191	91.9	6.43	1.00	3.97	83.9	9.23, 0.00, 1.88	91.9	0.93
	178-202	25	193	109.2	5.21	1.00	2.70	102.6	6.77, 0.00, 0.82	109.2	0.95
	203-226	24	192	128.0	3.31	1.00	1.49	123.9	4.35, 0.00, 0.93	128.0	0.97
	227-273	47	347	137.7	8.57	1.00	4.47	109.0	2.19, 0.00, 0.00	137.7	0.93
	274-299	26	184	115.6	4.56	1.00	2.13	111.7	0.00, 10.82, 0.00	115.6	0.96
	300-367	68	529	130.5	9.71	1.00	3.32	105.1	3.63, 0.91, 0.04	130.5	0.91
	368-389	22	150	99.8	6.95	1.00	2.34	90.5	5.48, 0.00, 0.87	99.8	0.93
	390-413	24	180	71.0	17.78	1.00	3.67	65.5	18.68, 0.00, 0.00	71.0	0.75
	414-444	31	217	43.6	7.58	1.00	3.85	35.4	14.98, 0.00, 1.37	43.6	0.84
	445-482	38	276	44.5	9.19	1.00	3.54	-10.9	13.13, 0.99, 0.00	44.5	0.80
	483-526	44	329	43.9	11.85	1.00	4.44	31.3	11.23, 0.00, 1.46	43.9	0.77

Summary of Optimal TLS Group Partition using 16 Groups
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Analysis of TLS Group 16 Chain Segments (overall rmsd_b=3.37 and residual=0.96)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-17	16	115	41.3	7.12	1.00	4.56	36.4	0.00, 19.97, 0.00	41.3	0.85
	18-72	55	409	41.1	11.25	1.00	5.14	31.3	10.83, 1.65, 0.00	41.1	0.77
	73-117	45	309	41.6	9.61	1.00	3.86	32.4	7.59, 4.78, 0.00	41.6	0.79
	118-150	33	234	61.5	15.63	1.00	4.92	26.5	20.35, 2.02, 0.00	61.5	0.73
	151-177	27	191	91.9	6.43	1.00	3.97	83.9	9.23, 0.00, 1.88	91.9	0.93
	178-202	25	193	109.2	5.21	1.00	2.70	102.6	6.77, 0.00, 0.82	109.2	0.95
	203-226	24	192	128.0	3.31	1.00	1.49	123.9	4.35, 0.00, 0.93	128.0	0.97
	227-273	47	347	137.7	8.57	1.00	4.47	109.0	2.19, 0.00, 0.00	137.7	0.93
	274-299	26	184	115.6	4.56	1.00	2.13	111.7	0.00, 10.82, 0.00	115.6	0.96
	300-367	68	529	130.5	9.71	1.00	3.32	105.1	3.63, 0.91, 0.04	130.5	0.91
	368-389	22	150	99.8	6.95	1.00	2.34	90.5	5.48, 0.00, 0.87	99.8	0.93
	390-413	24	180	71.0	17.78	1.00	3.67	65.5	18.68, 0.00, 0.00	71.0	0.75
	414-444	31	217	43.6	7.58	1.00	3.85	35.4	14.98, 0.00, 1.37	43.6	0.84
	445-482	38	276	44.5	9.19	1.00	3.54	-10.9	13.13, 0.99, 0.00	44.5	0.80
	483-513	31	230	42.9	8.67	1.00	3.30	35.4	7.55, 0.00, 0.50	42.9	0.79
	514-526	13	99	46.3	16.86	1.00	3.21	29.1	27.63, 10.36, 0.00	46.3	0.66

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=3.26 and residual=0.89)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-18	17	126	41.9	7.77	1.00	4.72	36.9	0.00, 21.62, 0.00	41.9	0.84
	19-53	35	248	40.2	12.35	1.00	3.77	31.1	8.87, 0.00, 4.93	40.2	0.72
	54-78	25	195	43.2	8.50	1.00	3.81	31.4	25.48, 3.70, 0.00	43.2	0.83
	79-128	50	342	41.3	9.69	1.00	4.11	30.2	0.00, 5.98, 9.19	41.3	0.79
	129-150	22	156	70.3	9.66	1.00	3.82	57.1	18.09, 0.00, 3.49	70.3	0.85
	151-177	27	191	91.9	6.43	1.00	3.97	83.9	9.23, 0.00, 1.88	91.9	0.93
	178-202	25	193	109.2	5.21	1.00	2.70	102.6	6.77, 0.00, 0.82	109.2	0.95
	203-226	24	192	128.0	3.31	1.00	1.49	123.9	4.35, 0.00, 0.93	128.0	0.97
	227-273	47	347	137.7	8.57	1.00	4.47	109.0	2.19, 0.00, 0.00	137.7	0.93
	274-299	26	184	115.6	4.56	1.00	2.13	111.7	0.00, 10.82, 0.00	115.6	0.96
	300-367	68	529	130.5	9.71	1.00	3.32	105.1	3.63, 0.91, 0.04	130.5	0.91
	368-389	22	150	99.8	6.95	1.00	2.34	90.5	5.48, 0.00, 0.87	99.8	0.93
	390-413	24	180	71.0	17.78	1.00	3.67	65.5	18.68, 0.00, 0.00	71.0	0.75
	414-444	31	217	43.6	7.58	1.00	3.85	35.4	14.98, 0.00, 1.37	43.6	0.84
	445-482	38	276	44.5	9.19	1.00	3.54	-10.9	13.13, 0.99, 0.00	44.5	0.80
	483-513	31	230	42.9	8.67	1.00	3.30	35.4	7.55, 0.00, 0.50	42.9	0.79
	514-526	13	99	46.3	16.86	1.00	3.21	29.1	27.63, 10.36, 0.00	46.3	0.66

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=3.15 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>
	2-18	17	126	41.9	7.77	1.00	4.72	36.9	0.00, 21.62, 0.00	41.9	0.84
	19-53	35	248	40.2	12.35	1.00	3.77	31.1	8.87, 0.00, 4.93	40.2	0.72
	54-78	25	195	43.2	8.50	1.00	3.81	31.4	25.48, 3.70, 0.00	43.2	0.83
	79-128	50	342	41.3	9.69	1.00	4.11	30.2	0.00, 5.98, 9.19	41.3	0.79
	129-150	22	156	70.3	9.66	1.00	3.82	57.1	18.09, 0.00, 3.49	70.3	0.85
	151-177	27	191	91.9	6.43	1.00	3.97	83.9	9.23, 0.00, 1.88	91.9	0.93
	178-202	25	193	109.2	5.21	1.00	2.70	102.6	6.77, 0.00, 0.82	109.2	0.95
	203-226	24	192	128.0	3.31	1.00	1.49	123.9	4.35, 0.00, 0.93	128.0	0.97
	227-273	47	347	137.7	8.57	1.00	4.47	109.0	2.19, 0.00, 0.00	137.7	0.93
	274-299	26	184	115.6	4.56	1.00	2.13	111.7	0.00, 10.82, 0.00	115.6	0.96
	300-367	68	529	130.5	9.71	1.00	3.32	105.1	3.63, 0.91, 0.04	130.5	0.91
	368-389	22	150	99.8	6.95	1.00	2.34	90.5	5.48, 0.00, 0.87	99.8	0.93
	390-408	19	148	76.9	13.37	1.00	3.19	53.8	24.05, 3.63, 0.00	76.9	0.83
	409-423	15	95	42.6	4.83	1.00	1.59	21.5	6.59, 0.00, 1.17	42.6	0.88
	424-444	21	154	44.2	8.49	1.00	2.53	33.5	1.29, 13.52, 9.65	44.2	0.82
	445-482	38	276	44.5	9.19	1.00	3.54	-10.9	13.13, 0.99, 0.00	44.5	0.80
	483-513	31	230	42.9	8.67	1.00	3.30	35.4	7.55, 0.00, 0.50	42.9	0.79
	514-526	13	99	46.3	16.86	1.00	3.21	29.1	27.63, 10.36, 0.00	46.3	0.66

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=3.04 and residual=0.78)
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	41.9	7.77	1.00	4.72	36.9	0.00, 21.62, 0.00	41.9	0.84
	19-53	35	248	40.2	12.35	1.00	3.77	31.1	8.87, 0.00, 4.93	40.2	0.72
	54-78	25	195	43.2	8.50	1.00	3.81	31.4	25.48, 3.70, 0.00	43.2	0.83
	79-128	50	342	41.3	9.69	1.00	4.11	30.2	0.00, 5.98, 9.19	41.3	0.79
	129-150	22	156	70.3	9.66	1.00	3.82	57.1	18.09, 0.00, 3.49	70.3	0.85
	151-177	27	191	91.9	6.43	1.00	3.97	83.9	9.23, 0.00, 1.88	91.9	0.93
	178-202	25	193	109.2	5.21	1.00	2.70	102.6	6.77, 0.00, 0.82	109.2	0.95
	203-226	24	192	128.0	3.31	1.00	1.49	123.9	4.35, 0.00, 0.93	128.0	0.97
	227-273	47	347	137.7	8.57	1.00	4.47	109.0	2.19, 0.00, 0.00	137.7	0.93
	274-299	26	184	115.6	4.56	1.00	2.13	111.7	0.00, 10.82, 0.00	115.6	0.96
	300-348	49	365	127.6	9.53	1.00	2.55	97.0	5.38, 0.00, 1.07	127.6	0.91
	349-364	16	138	139.2	4.10	1.00	1.44	138.7	0.00, 0.00, 0.00	139.2	0.96
	365-389	25	176	103.5	11.08	1.00	2.76	91.5	6.87, 0.00, 1.10	103.5	0.90
	390-408	19	148	76.9	13.37	1.00	3.19	53.8	24.05, 3.63, 0.00	76.9	0.83
	409-423	15	95	42.6	4.83	1.00	1.59	21.5	6.59, 0.00, 1.17	42.6	0.88
	424-444	21	154	44.2	8.49	1.00	2.53	33.5	1.29, 13.52, 9.65	44.2	0.82
	445-482	38	276	44.5	9.19	1.00	3.54	-10.9	13.13, 0.99, 0.00	44.5	0.80
	483-513	31	230	42.9	8.67	1.00	3.30	35.4	7.55, 0.00, 0.50	42.9	0.79
	514-526	13	99	46.3	16.86	1.00	3.21	29.1	27.63, 10.36, 0.00	46.3	0.66

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=2.94 and residual=0.73)
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	41.9	7.77	1.00	4.72	36.9	0.00, 21.62, 0.00	41.9	0.84
	19-53	35	248	40.2	12.35	1.00	3.77	31.1	8.87, 0.00, 4.93	40.2	0.72
	54-78	25	195	43.2	8.50	1.00	3.81	31.4	25.48, 3.70, 0.00	43.2	0.83
	79-117	39	264	40.6	9.82	1.00	3.39	29.8	10.49, 5.64, 0.00	40.6	0.78
	118-135	18	132	50.8	11.27	1.00	4.09	30.4	37.18, 4.69, 0.00	50.8	0.77
	136-151	16	108	75.6	7.20	1.00	3.67	70.8	20.42, 0.00, 0.00	75.6	0.90
	152-177	26	185	92.3	6.14	1.00	3.84	86.0	10.22, 1.17, 0.00	92.3	0.94
	178-202	25	193	109.2	5.21	1.00	2.70	102.6	6.77, 0.00, 0.82	109.2	0.95
	203-226	24	192	128.0	3.31	1.00	1.49	123.9	4.35, 0.00, 0.93	128.0	0.97
	227-273	47	347	137.7	8.57	1.00	4.47	109.0	2.19, 0.00, 0.00	137.7	0.93
	274-299	26	184	115.6	4.56	1.00	2.13	111.7	0.00, 10.82, 0.00	115.6	0.96
	300-348	49	365	127.6	9.53	1.00	2.55	97.0	5.38, 0.00, 1.07	127.6	0.91
	349-364	16	138	139.2	4.10	1.00	1.44	138.7	0.00, 0.00, 0.00	139.2	0.96
	365-389	25	176	103.5	11.08	1.00	2.76	91.5	6.87, 0.00, 1.10	103.5	0.90
	390-408	19	148	76.9	13.37	1.00	3.19	53.8	24.05, 3.63, 0.00	76.9	0.83
	409-423	15	95	42.6	4.83	1.00	1.59	21.5	6.59, 0.00, 1.17	42.6	0.88
	424-444	21	154	44.2	8.49	1.00	2.53	33.5	1.29, 13.52, 9.65	44.2	0.82
	445-482	38	276	44.5	9.19	1.00	3.54	-10.9	13.13, 0.99, 0.00	44.5	0.80
	483-513	31	230	42.9	8.67	1.00	3.30	35.4	7.55, 0.00, 0.50	42.9	0.79
	514-526	13	99	46.3	16.86	1.00	3.21	29.1	27.63, 10.36, 0.00	46.3	0.66

30 Mar 2010

JobID: TLSMD7784_zxWfiZTD

TLSMD Version 1.4.1 Released 11 February 2010