1DVJ: Chain B TLS Analysis

26 Mar 2010

JobID: TLSMD7766_HvlAdtJq

TLSMD Version 1.4.1

1DVJ: 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=3.82 and residual=0.49)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	14-224	211	1610	21.7	8.33	1.00	3.82	10.2	3.81, 0.72, 2.21	21.7	0.67

Summary of Optimal TLS Group Partition using 2 Groups
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Analysis of TLS Group 2 Chain Segments (overall rmsd_b=3.40 and residual=0.39)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	14-139	126	984	18.8	6.56	1.00	3.58	9.8	0.19, 3.36, 4.05	18.8	0.72
	140-224	85	626	26.2	8.79	1.00	3.09	10.7	6.52, 0.00, 2.44	26.2	0.68

Summary of Optimal TLS Group Partition using 3 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 3 Chain Segments (overall rmsd_b=3.13 and residual=0.33)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	14-35	22	176	22.2	7.03	1.00	2.24	12.5	0.00, 11.41, 7.60	22.2	0.70
	36-139	104	808	18.1	6.21	1.00	3.33	10.5	0.00, 2.84, 4.76	18.1	0.73
	140-224	85	626	26.2	8.79	1.00	3.09	10.7	6.52, 0.00, 2.44	26.2	0.68

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=2.89 and residual=0.28)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	14-52	39	309	21.4	7.71	1.00	2.62	11.7	0.00, 6.02, 7.08	21.4	0.64
	53-86	34	276	17.5	6.16	1.00	2.85	8.9	14.33, 0.00, 3.32	17.5	0.68
	87-138	52	394	17.7	5.15	1.00	2.92	11.3	0.00, 5.84, 3.12	17.7	0.74
	139-224	86	631	26.2	8.76	1.00	3.09	10.5	6.46, 0.00, 2.45	26.2	0.68

Summary of Optimal TLS Group Partition using 5 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 5 Chain Segments (overall rmsd_b=2.71 and residual=0.25)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	14-52	39	309	21.4	7.71	1.00	2.62	11.7	0.00, 6.02, 7.08	21.4	0.64
	53-86	34	276	17.5	6.16	1.00	2.85	8.9	14.33, 0.00, 3.32	17.5	0.68
	87-138	52	394	17.7	5.15	1.00	2.92	11.3	0.00, 5.84, 3.12	17.7	0.74
	139-201	63	469	25.5	7.10	1.00	2.83	9.8	0.49, 4.13, 5.29	25.5	0.72
	202-224	23	162	28.1	12.17	1.00	2.31	12.9	0.00, 5.87, 6.22	28.1	0.59

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=2.56 and residual=0.22)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	14-37	24	197	23.6	7.89	1.00	2.37	12.2	0.00, 11.55, 7.35	23.6	0.67
	38-63	26	211	18.4	5.51	1.00	2.49	10.9	0.00, 11.72, 5.74	18.4	0.72
	64-100	37	290	15.5	5.22	1.00	2.49	9.7	11.72, 0.00, 1.95	15.5	0.72
	101-119	19	137	18.3	5.89	1.00	1.99	12.7	28.43, 0.00, 1.98	18.3	0.71
	120-213	94	700	23.5	6.96	1.00	2.93	14.2	0.00, 2.43, 3.37	23.5	0.71
	214-224	11	75	39.1	9.03	1.00	1.74	-0.6	32.01, 2.97, 0.00	39.1	0.75

Summary of Optimal TLS Group Partition using 7 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 7 Chain Segments (overall rmsd_b=2.40 and residual=0.20)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	14-37	24	197	23.6	7.89	1.00	2.37	12.2	0.00, 11.55, 7.35	23.6	0.67
	38-63	26	211	18.4	5.51	1.00	2.49	10.9	0.00, 11.72, 5.74	18.4	0.72
	64-100	37	290	15.5	5.22	1.00	2.49	9.7	11.72, 0.00, 1.95	15.5	0.72
	101-119	19	137	18.3	5.89	1.00	1.99	12.7	28.43, 0.00, 1.98	18.3	0.71
	120-140	21	157	20.1	4.75	1.00	2.44	17.3	3.68, 0.28, 0.00	20.1	0.78
	141-186	46	346	24.8	6.79	1.00	2.56	14.2	8.40, 2.98, 0.56	24.8	0.73
	187-224	38	272	28.0	10.63	1.00	2.81	25.2	0.00, 7.71, 0.00	28.0	0.61

Summary of Optimal TLS Group Partition using 8 Groups
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Analysis of TLS Group 8 Chain Segments (overall rmsd_b=2.24 and residual=0.17)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	14-37	24	197	23.6	7.89	1.00	2.37	12.2	0.00, 11.55, 7.35	23.6	0.67
	38-63	26	211	18.4	5.51	1.00	2.49	10.9	0.00, 11.72, 5.74	18.4	0.72
	64-100	37	290	15.5	5.22	1.00	2.49	9.7	11.72, 0.00, 1.95	15.5	0.72
	101-119	19	137	18.3	5.89	1.00	1.99	12.7	28.43, 0.00, 1.98	18.3	0.71
	120-140	21	157	20.1	4.75	1.00	2.44	17.3	3.68, 0.28, 0.00	20.1	0.78
	141-181	41	317	25.0	7.03	1.00	2.57	13.8	8.15, 3.35, 0.40	25.0	0.71
	182-208	27	193	23.9	7.86	1.00	2.14	15.4	9.71, 0.74, 0.00	23.9	0.66
	209-224	16	108	34.1	10.74	1.00	1.93	17.8	28.32, 5.22, 0.00	34.1	0.68

Summary of Optimal TLS Group Partition using 9 Groups
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Analysis of TLS Group 9 Chain Segments (overall rmsd_b=2.11 and residual=0.15)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	14-37	24	197	23.6	7.89	1.00	2.37	12.2	0.00, 11.55, 7.35	23.6	0.67
	38-63	26	211	18.4	5.51	1.00	2.49	10.9	0.00, 11.72, 5.74	18.4	0.72
	64-100	37	290	15.5	5.22	1.00	2.49	9.7	11.72, 0.00, 1.95	15.5	0.72
	101-119	19	137	18.3	5.89	1.00	1.99	12.7	28.43, 0.00, 1.98	18.3	0.71
	120-138	19	144	19.7	4.68	1.00	2.48	14.4	3.60, 1.45, 0.00	19.7	0.78
	139-161	23	170	22.5	5.33	1.00	2.06	14.8	12.26, 0.00, 5.98	22.5	0.76
	162-189	28	208	27.6	7.21	1.00	2.48	17.1	10.87, 0.00, 4.32	27.6	0.74
	190-217	28	197	23.1	7.06	1.00	1.65	16.3	6.92, 2.03, 0.00	23.1	0.68
	218-224	7	56	42.9	6.86	1.00	1.43	40.1	0.00, 31.32, 0.00	42.9	0.82

Summary of Optimal TLS Group Partition using 10 Groups
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Analysis of TLS Group 10 Chain Segments (overall rmsd_b=1.98 and residual=0.13)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	14-34	21	165	21.2	5.92	1.00	1.71	13.0	0.00, 8.68, 7.46	21.2	0.72
	35-51	17	140	21.7	9.40	1.00	1.99	13.9	0.00, 6.05, 5.24	21.7	0.59
	52-65	14	113	19.6	5.21	1.00	1.78	12.9	27.53, 0.00, 4.39	19.6	0.75
	66-100	35	280	15.3	5.11	1.00	2.50	9.9	11.87, 0.00, 1.50	15.3	0.72
	101-119	19	137	18.3	5.89	1.00	1.99	12.7	28.43, 0.00, 1.98	18.3	0.71
	120-138	19	144	19.7	4.68	1.00	2.48	14.4	3.60, 1.45, 0.00	19.7	0.78
	139-161	23	170	22.5	5.33	1.00	2.06	14.8	12.26, 0.00, 5.98	22.5	0.76
	162-189	28	208	27.6	7.21	1.00	2.48	17.1	10.87, 0.00, 4.32	27.6	0.74
	190-217	28	197	23.1	7.06	1.00	1.65	16.3	6.92, 2.03, 0.00	23.1	0.68
	218-224	7	56	42.9	6.86	1.00	1.43	40.1	0.00, 31.32, 0.00	42.9	0.82

Summary of Optimal TLS Group Partition using 11 Groups
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Analysis of TLS Group 11 Chain Segments (overall rmsd_b=1.89 and residual=0.12)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	14-34	21	165	21.2	5.92	1.00	1.71	13.0	0.00, 8.68, 7.46	21.2	0.72
	35-52	18	144	21.5	9.34	1.00	2.05	14.0	0.00, 4.78, 6.01	21.5	0.59
	53-74	22	181	18.0	5.76	1.00	2.60	9.8	14.39, 0.00, 3.80	18.0	0.70
	75-86	12	95	16.3	6.72	1.00	1.84	11.8	32.34, 2.54, 0.00	16.3	0.64
	87-106	20	150	14.6	2.18	1.00	1.54	11.9	0.00, 1.64, 5.38	14.6	0.88
	107-119	13	100	19.3	6.57	1.00	1.81	12.4	28.59, 0.00, 5.14	19.3	0.69
	120-138	19	144	19.7	4.68	1.00	2.48	14.4	3.60, 1.45, 0.00	19.7	0.78
	139-161	23	170	22.5	5.33	1.00	2.06	14.8	12.26, 0.00, 5.98	22.5	0.76
	162-189	28	208	27.6	7.21	1.00	2.48	17.1	10.87, 0.00, 4.32	27.6	0.74
	190-217	28	197	23.1	7.06	1.00	1.65	16.3	6.92, 2.03, 0.00	23.1	0.68
	218-224	7	56	42.9	6.86	1.00	1.43	40.1	0.00, 31.32, 0.00	42.9	0.82

Summary of Optimal TLS Group Partition using 12 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 12 Chain Segments (overall rmsd_b=1.79 and residual=0.11)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	14-34	21	165	21.2	5.92	1.00	1.71	13.0	0.00, 8.68, 7.46	21.2	0.72
	35-51	17	140	21.7	9.40	1.00	1.99	13.9	0.00, 6.05, 5.24	21.7	0.59
	52-64	13	107	19.5	5.30	1.00	1.67	13.0	28.13, 0.00, 4.64	19.5	0.75
	65-75	11	86	15.6	5.45	1.00	1.75	10.3	16.64, 0.00, 4.05	15.6	0.70
	76-86	11	87	16.7	6.93	1.00	1.84	12.3	34.43, 2.62, 0.00	16.7	0.63
	87-106	20	150	14.6	2.18	1.00	1.54	11.9	0.00, 1.64, 5.38	14.6	0.88
	107-119	13	100	19.3	6.57	1.00	1.81	12.4	28.59, 0.00, 5.14	19.3	0.69
	120-138	19	144	19.7	4.68	1.00	2.48	14.4	3.60, 1.45, 0.00	19.7	0.78
	139-161	23	170	22.5	5.33	1.00	2.06	14.8	12.26, 0.00, 5.98	22.5	0.76
	162-189	28	208	27.6	7.21	1.00	2.48	17.1	10.87, 0.00, 4.32	27.6	0.74
	190-217	28	197	23.1	7.06	1.00	1.65	16.3	6.92, 2.03, 0.00	23.1	0.68
	218-224	7	56	42.9	6.86	1.00	1.43	40.1	0.00, 31.32, 0.00	42.9	0.82

Summary of Optimal TLS Group Partition using 13 Groups
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Analysis of TLS Group 13 Chain Segments (overall rmsd_b=1.71 and residual=0.10)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	14-34	21	165	21.2	5.92	1.00	1.71	13.0	0.00, 8.68, 7.46	21.2	0.72
	35-51	17	140	21.7	9.40	1.00	1.99	13.9	0.00, 6.05, 5.24	21.7	0.59
	52-64	13	107	19.5	5.30	1.00	1.67	13.0	28.13, 0.00, 4.64	19.5	0.75
	65-75	11	86	15.6	5.45	1.00	1.75	10.3	16.64, 0.00, 4.05	15.6	0.70
	76-86	11	87	16.7	6.93	1.00	1.84	12.3	34.43, 2.62, 0.00	16.7	0.63
	87-106	20	150	14.6	2.18	1.00	1.54	11.9	0.00, 1.64, 5.38	14.6	0.88
	107-119	13	100	19.3	6.57	1.00	1.81	12.4	28.59, 0.00, 5.14	19.3	0.69
	120-138	19	144	19.7	4.68	1.00	2.48	14.4	3.60, 1.45, 0.00	19.7	0.78
	139-161	23	170	22.5	5.33	1.00	2.06	14.8	12.26, 0.00, 5.98	22.5	0.76
	162-168	7	64	31.0	5.19	1.00	1.84	23.3	19.52, 0.41, 6.26	31.0	0.82
	169-189	21	144	26.1	7.47	1.00	1.90	19.2	11.67, 0.00, 3.40	26.1	0.71
	190-217	28	197	23.1	7.06	1.00	1.65	16.3	6.92, 2.03, 0.00	23.1	0.68
	218-224	7	56	42.9	6.86	1.00	1.43	40.1	0.00, 31.32, 0.00	42.9	0.82

Summary of Optimal TLS Group Partition using 14 Groups
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Analysis of TLS Group 14 Chain Segments (overall rmsd_b=1.62 and residual=0.09)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	14-34	21	165	21.2	5.92	1.00	1.71	13.0	0.00, 8.68, 7.46	21.2	0.72
	35-51	17	140	21.7	9.40	1.00	1.99	13.9	0.00, 6.05, 5.24	21.7	0.59
	52-64	13	107	19.5	5.30	1.00	1.67	13.0	28.13, 0.00, 4.64	19.5	0.75
	65-75	11	86	15.6	5.45	1.00	1.75	10.3	16.64, 0.00, 4.05	15.6	0.70
	76-86	11	87	16.7	6.93	1.00	1.84	12.3	34.43, 2.62, 0.00	16.7	0.63
	87-106	20	150	14.6	2.18	1.00	1.54	11.9	0.00, 1.64, 5.38	14.6	0.88
	107-119	13	100	19.3	6.57	1.00	1.81	12.4	28.59, 0.00, 5.14	19.3	0.69
	120-131	12	90	17.8	3.23	1.00	1.31	15.9	17.19, 0.00, 0.00	17.8	0.83
	132-147	16	119	23.3	4.92	1.00	1.85	18.6	21.92, 2.29, 0.00	23.3	0.80
	148-160	13	98	21.2	5.18	1.00	1.87	14.7	16.45, 0.00, 4.78	21.2	0.76
	161-171	11	96	30.5	5.41	1.00	2.32	25.9	15.09, 4.71, 0.00	30.5	0.81
	172-189	18	119	25.4	7.47	1.00	1.82	17.1	16.20, 0.00, 4.49	25.4	0.70
	190-217	28	197	23.1	7.06	1.00	1.65	16.3	6.92, 2.03, 0.00	23.1	0.68
	218-224	7	56	42.9	6.86	1.00	1.43	40.1	0.00, 31.32, 0.00	42.9	0.82

Summary of Optimal TLS Group Partition using 15 Groups
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Analysis of TLS Group 15 Chain Segments (overall rmsd_b=1.56 and residual=0.08)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	14-34	21	165	21.2	5.92	1.00	1.71	13.0	0.00, 8.68, 7.46	21.2	0.72
	35-51	17	140	21.7	9.40	1.00	1.99	13.9	0.00, 6.05, 5.24	21.7	0.59
	52-64	13	107	19.5	5.30	1.00	1.67	13.0	28.13, 0.00, 4.64	19.5	0.75
	65-75	11	86	15.6	5.45	1.00	1.75	10.3	16.64, 0.00, 4.05	15.6	0.70
	76-86	11	87	16.7	6.93	1.00	1.84	12.3	34.43, 2.62, 0.00	16.7	0.63
	87-106	20	150	14.6	2.18	1.00	1.54	11.9	0.00, 1.64, 5.38	14.6	0.88
	107-119	13	100	19.3	6.57	1.00	1.81	12.4	28.59, 0.00, 5.14	19.3	0.69
	120-131	12	90	17.8	3.23	1.00	1.31	15.9	17.19, 0.00, 0.00	17.8	0.83
	132-147	16	119	23.3	4.92	1.00	1.85	18.6	21.92, 2.29, 0.00	23.3	0.80
	148-161	14	105	21.8	5.45	1.00	1.84	14.8	16.13, 0.00, 4.91	21.8	0.75
	162-168	7	64	31.0	5.19	1.00	1.84	23.3	19.52, 0.41, 6.26	31.0	0.82
	169-184	16	112	24.8	7.40	1.00	1.47	18.5	10.54, 3.09, 0.00	24.8	0.70
	185-193	9	60	31.2	5.84	1.00	2.04	29.4	15.24, 0.00, 0.00	31.2	0.79
	194-213	20	150	20.9	6.05	1.00	1.24	14.8	0.00, 5.50, 3.14	20.9	0.72
	214-224	11	75	39.1	9.03	1.00	1.74	-0.6	32.01, 2.97, 0.00	39.1	0.75

Summary of Optimal TLS Group Partition using 16 Groups
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Analysis of TLS Group 16 Chain Segments (overall rmsd_b=1.50 and residual=0.08)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	14-34	21	165	21.2	5.92	1.00	1.71	13.0	0.00, 8.68, 7.46	21.2	0.72
	35-38	4	40	34.8	4.68	1.00	1.29	30.3	16.44, 0.00, 6.34	34.8	0.88
	39-53	15	112	16.4	4.21	1.00	1.33	12.4	0.00, 3.78, 6.51	16.4	0.77
	54-64	11	95	20.0	5.40	1.00	1.59	13.3	28.04, 0.00, 6.37	20.0	0.75
	65-75	11	86	15.6	5.45	1.00	1.75	10.3	16.64, 0.00, 4.05	15.6	0.70
	76-86	11	87	16.7	6.93	1.00	1.84	12.3	34.43, 2.62, 0.00	16.7	0.63
	87-106	20	150	14.6	2.18	1.00	1.54	11.9	0.00, 1.64, 5.38	14.6	0.88
	107-119	13	100	19.3	6.57	1.00	1.81	12.4	28.59, 0.00, 5.14	19.3	0.69
	120-131	12	90	17.8	3.23	1.00	1.31	15.9	17.19, 0.00, 0.00	17.8	0.83
	132-147	16	119	23.3	4.92	1.00	1.85	18.6	21.92, 2.29, 0.00	23.3	0.80
	148-161	14	105	21.8	5.45	1.00	1.84	14.8	16.13, 0.00, 4.91	21.8	0.75
	162-168	7	64	31.0	5.19	1.00	1.84	23.3	19.52, 0.41, 6.26	31.0	0.82
	169-184	16	112	24.8	7.40	1.00	1.47	18.5	10.54, 3.09, 0.00	24.8	0.70
	185-193	9	60	31.2	5.84	1.00	2.04	29.4	15.24, 0.00, 0.00	31.2	0.79
	194-213	20	150	20.9	6.05	1.00	1.24	14.8	0.00, 5.50, 3.14	20.9	0.72
	214-224	11	75	39.1	9.03	1.00	1.74	-0.6	32.01, 2.97, 0.00	39.1	0.75

Summary of Optimal TLS Group Partition using 17 Groups
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Analysis of TLS Group 17 Chain Segments (overall rmsd_b=1.45 and residual=0.07)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	14-34	21	165	21.2	5.92	1.00	1.71	13.0	0.00, 8.68, 7.46	21.2	0.72
	35-38	4	40	34.8	4.68	1.00	1.29	30.3	16.44, 0.00, 6.34	34.8	0.88
	39-53	15	112	16.4	4.21	1.00	1.33	12.4	0.00, 3.78, 6.51	16.4	0.77
	54-64	11	95	20.0	5.40	1.00	1.59	13.3	28.04, 0.00, 6.37	20.0	0.75
	65-75	11	86	15.6	5.45	1.00	1.75	10.3	16.64, 0.00, 4.05	15.6	0.70
	76-86	11	87	16.7	6.93	1.00	1.84	12.3	34.43, 2.62, 0.00	16.7	0.63
	87-106	20	150	14.6	2.18	1.00	1.54	11.9	0.00, 1.64, 5.38	14.6	0.88
	107-119	13	100	19.3	6.57	1.00	1.81	12.4	28.59, 0.00, 5.14	19.3	0.69
	120-131	12	90	17.8	3.23	1.00	1.31	15.9	17.19, 0.00, 0.00	17.8	0.83
	132-136	5	45	23.2	5.31	1.00	1.42	18.3	0.00, 10.13, 23.53	23.2	0.77
	137-149	13	90	23.8	4.76	1.00	1.48	19.9	28.98, 3.93, 0.00	23.8	0.80
	150-161	12	89	21.1	5.28	1.00	1.76	14.8	18.46, 0.00, 4.12	21.1	0.75
	162-168	7	64	31.0	5.19	1.00	1.84	23.3	19.52, 0.41, 6.26	31.0	0.82
	169-184	16	112	24.8	7.40	1.00	1.47	18.5	10.54, 3.09, 0.00	24.8	0.70
	185-193	9	60	31.2	5.84	1.00	2.04	29.4	15.24, 0.00, 0.00	31.2	0.79
	194-213	20	150	20.9	6.05	1.00	1.24	14.8	0.00, 5.50, 3.14	20.9	0.72
	214-224	11	75	39.1	9.03	1.00	1.74	-0.6	32.01, 2.97, 0.00	39.1	0.75

Summary of Optimal TLS Group Partition using 18 Groups
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Analysis of TLS Group 18 Chain Segments (overall rmsd_b=1.39 and residual=0.07)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	14-18	5	40	21.0	8.09	1.00	0.80	14.0	0.00, 13.43, 9.60	21.0	0.67
	19-34	16	125	21.3	5.03	1.00	1.35	14.5	0.00, 13.80, 8.03	21.3	0.76
	35-38	4	40	34.8	4.68	1.00	1.29	30.3	16.44, 0.00, 6.34	34.8	0.88
	39-53	15	112	16.4	4.21	1.00	1.33	12.4	0.00, 3.78, 6.51	16.4	0.77
	54-64	11	95	20.0	5.40	1.00	1.59	13.3	28.04, 0.00, 6.37	20.0	0.75
	65-75	11	86	15.6	5.45	1.00	1.75	10.3	16.64, 0.00, 4.05	15.6	0.70
	76-86	11	87	16.7	6.93	1.00	1.84	12.3	34.43, 2.62, 0.00	16.7	0.63
	87-106	20	150	14.6	2.18	1.00	1.54	11.9	0.00, 1.64, 5.38	14.6	0.88
	107-119	13	100	19.3	6.57	1.00	1.81	12.4	28.59, 0.00, 5.14	19.3	0.69
	120-131	12	90	17.8	3.23	1.00	1.31	15.9	17.19, 0.00, 0.00	17.8	0.83
	132-136	5	45	23.2	5.31	1.00	1.42	18.3	0.00, 10.13, 23.53	23.2	0.77
	137-149	13	90	23.8	4.76	1.00	1.48	19.9	28.98, 3.93, 0.00	23.8	0.80
	150-161	12	89	21.1	5.28	1.00	1.76	14.8	18.46, 0.00, 4.12	21.1	0.75
	162-168	7	64	31.0	5.19	1.00	1.84	23.3	19.52, 0.41, 6.26	31.0	0.82
	169-184	16	112	24.8	7.40	1.00	1.47	18.5	10.54, 3.09, 0.00	24.8	0.70
	185-193	9	60	31.2	5.84	1.00	2.04	29.4	15.24, 0.00, 0.00	31.2	0.79
	194-213	20	150	20.9	6.05	1.00	1.24	14.8	0.00, 5.50, 3.14	20.9	0.72
	214-224	11	75	39.1	9.03	1.00	1.74	-0.6	32.01, 2.97, 0.00	39.1	0.75

Summary of Optimal TLS Group Partition using 19 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 19 Chain Segments (overall rmsd_b=1.34 and residual=0.06)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	14-18	5	40	21.0	8.09	1.00	0.80	14.0	0.00, 13.43, 9.60	21.0	0.67
	19-34	16	125	21.3	5.03	1.00	1.35	14.5	0.00, 13.80, 8.03	21.3	0.76
	35-38	4	40	34.8	4.68	1.00	1.29	30.3	16.44, 0.00, 6.34	34.8	0.88
	39-53	15	112	16.4	4.21	1.00	1.33	12.4	0.00, 3.78, 6.51	16.4	0.77
	54-64	11	95	20.0	5.40	1.00	1.59	13.3	28.04, 0.00, 6.37	20.0	0.75
	65-75	11	86	15.6	5.45	1.00	1.75	10.3	16.64, 0.00, 4.05	15.6	0.70
	76-86	11	87	16.7	6.93	1.00	1.84	12.3	34.43, 2.62, 0.00	16.7	0.63
	87-106	20	150	14.6	2.18	1.00	1.54	11.9	0.00, 1.64, 5.38	14.6	0.88
	107-119	13	100	19.3	6.57	1.00	1.81	12.4	28.59, 0.00, 5.14	19.3	0.69
	120-131	12	90	17.8	3.23	1.00	1.31	15.9	17.19, 0.00, 0.00	17.8	0.83
	132-136	5	45	23.2	5.31	1.00	1.42	18.3	0.00, 10.13, 23.53	23.2	0.77
	137-149	13	90	23.8	4.76	1.00	1.48	19.9	28.98, 3.93, 0.00	23.8	0.80
	150-161	12	89	21.1	5.28	1.00	1.76	14.8	18.46, 0.00, 4.12	21.1	0.75
	162-168	7	64	31.0	5.19	1.00	1.84	23.3	19.52, 0.41, 6.26	31.0	0.82
	169-182	14	103	25.0	7.66	1.00	1.48	17.9	11.24, 3.21, 0.00	25.0	0.70
	183-189	7	41	28.7	6.26	1.00	1.49	20.4	0.00, 10.46, 6.41	28.7	0.77
	190-202	13	95	25.9	7.91	1.00	0.96	-21.9	14.88, 0.00, 0.55	25.9	0.68
	203-217	15	102	20.5	4.91	1.00	1.12	14.0	11.62, 4.99, 0.00	20.5	0.75
	218-224	7	56	42.9	6.86	1.00	1.43	40.1	0.00, 31.32, 0.00	42.9	0.82

Summary of Optimal TLS Group Partition using 20 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 20 Chain Segments (overall rmsd_b=1.30 and residual=0.06)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	14-18	5	40	21.0	8.09	1.00	0.80	14.0	0.00, 13.43, 9.60	21.0	0.67
	19-34	16	125	21.3	5.03	1.00	1.35	14.5	0.00, 13.80, 8.03	21.3	0.76
	35-38	4	40	34.8	4.68	1.00	1.29	30.3	16.44, 0.00, 6.34	34.8	0.88
	39-53	15	112	16.4	4.21	1.00	1.33	12.4	0.00, 3.78, 6.51	16.4	0.77
	54-64	11	95	20.0	5.40	1.00	1.59	13.3	28.04, 0.00, 6.37	20.0	0.75
	65-75	11	86	15.6	5.45	1.00	1.75	10.3	16.64, 0.00, 4.05	15.6	0.70
	76-86	11	87	16.7	6.93	1.00	1.84	12.3	34.43, 2.62, 0.00	16.7	0.63
	87-106	20	150	14.6	2.18	1.00	1.54	11.9	0.00, 1.64, 5.38	14.6	0.88
	107-114	8	59	19.7	7.08	1.00	1.48	14.6	37.84, 0.00, 3.95	19.7	0.69
	115-119	5	41	18.8	5.73	1.00	1.10	11.6	0.00, 11.80, 21.14	18.8	0.72
	120-131	12	90	17.8	3.23	1.00	1.31	15.9	17.19, 0.00, 0.00	17.8	0.83
	132-136	5	45	23.2	5.31	1.00	1.42	18.3	0.00, 10.13, 23.53	23.2	0.77
	137-149	13	90	23.8	4.76	1.00	1.48	19.9	28.98, 3.93, 0.00	23.8	0.80
	150-161	12	89	21.1	5.28	1.00	1.76	14.8	18.46, 0.00, 4.12	21.1	0.75
	162-168	7	64	31.0	5.19	1.00	1.84	23.3	19.52, 0.41, 6.26	31.0	0.82
	169-182	14	103	25.0	7.66	1.00	1.48	17.9	11.24, 3.21, 0.00	25.0	0.70
	183-189	7	41	28.7	6.26	1.00	1.49	20.4	0.00, 10.46, 6.41	28.7	0.77
	190-202	13	95	25.9	7.91	1.00	0.96	-21.9	14.88, 0.00, 0.55	25.9	0.68
	203-217	15	102	20.5	4.91	1.00	1.12	14.0	11.62, 4.99, 0.00	20.5	0.75
	218-224	7	56	42.9	6.86	1.00	1.43	40.1	0.00, 31.32, 0.00	42.9	0.82

26 Mar 2010

JobID: TLSMD7766_HvlAdtJq

TLSMD Version 1.4.1 Released 11 February 2010