1BNC: Chain A TLS Analysis

26 Mar 2010

JobID: TLSMD7769_QGwZqBPa

TLSMD Version 1.4.1

1BNC: 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
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Analysis of TLS Group 1 Chain Segments (overall rmsd_b=20.64 and residual=29.59)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-446	433	3356	40.5	25.06	1.00	20.65	20.4	5.61, 0.00, 1.96	40.5	0.69

Summary of Optimal TLS Group Partition using 2 Groups
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Analysis of TLS Group 2 Chain Segments (overall rmsd_b=19.97 and residual=27.70)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-136	136	999	40.4	23.76	1.00	19.02	5.4	12.02, 1.46, 0.75	40.4	0.67
	137-446	297	2357	40.6	25.59	1.00	20.39	17.4	6.81, 1.34, 0.00	40.6	0.65

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=19.17 and residual=25.53)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-131	131	970	39.4	22.86	1.00	18.77	2.5	13.35, 0.79, 1.48	39.4	0.68
	132-206	62	477	63.6	28.61	1.00	21.54	29.3	29.75, 5.03, 0.00	63.6	0.71
	207-446	240	1909	35.3	21.74	1.00	18.74	16.6	0.00, 4.03, 6.89	35.3	0.70

Summary of Optimal TLS Group Partition using 4 Groups
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Analysis of TLS Group 4 Chain Segments (overall rmsd_b=18.73 and residual=24.38)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-131	131	970	39.4	22.86	1.00	18.77	2.5	13.35, 0.79, 1.48	39.4	0.68
	132-206	62	477	63.6	28.61	1.00	21.54	29.3	29.75, 5.03, 0.00	63.6	0.71
	207-337	131	1039	35.0	21.49	1.00	17.67	16.7	0.00, 9.61, 7.03	35.0	0.67
	338-446	109	870	35.7	22.03	1.00	18.40	17.4	0.00, 6.27, 10.19	35.7	0.68

Summary of Optimal TLS Group Partition using 5 Groups
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Analysis of TLS Group 5 Chain Segments (overall rmsd_b=18.45 and residual=23.63)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-72	72	538	36.7	20.72	1.00	16.87	18.5	0.00, 11.59, 14.70	36.7	0.68
	73-132	60	439	42.9	24.86	1.00	19.13	18.2	29.52, 0.00, 2.85	42.9	0.63
	133-206	61	470	63.9	28.59	1.00	21.47	30.5	29.68, 0.00, 5.58	63.9	0.71
	207-337	131	1039	35.0	21.49	1.00	17.67	16.7	0.00, 9.61, 7.03	35.0	0.67
	338-446	109	870	35.7	22.03	1.00	18.40	17.4	0.00, 6.27, 10.19	35.7	0.68

Summary of Optimal TLS Group Partition using 6 Groups
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Analysis of TLS Group 6 Chain Segments (overall rmsd_b=18.22 and residual=23.06)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-72	72	538	36.7	20.72	1.00	16.87	18.5	0.00, 11.59, 14.70	36.7	0.68
	73-132	60	439	42.9	24.86	1.00	19.13	18.2	29.52, 0.00, 2.85	42.9	0.63
	133-206	61	470	63.9	28.59	1.00	21.47	30.5	29.68, 0.00, 5.58	63.9	0.71
	207-284	78	616	35.2	20.02	1.00	15.90	17.6	17.19, 4.54, 0.00	35.2	0.67
	285-337	53	423	34.7	23.47	1.00	18.80	9.3	18.22, 0.00, 3.28	34.7	0.63
	338-446	109	870	35.7	22.03	1.00	18.40	17.4	0.00, 6.27, 10.19	35.7	0.68

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=18.01 and residual=22.52)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-72	72	538	36.7	20.72	1.00	16.87	18.5	0.00, 11.59, 14.70	36.7	0.68
	73-132	60	439	42.9	24.86	1.00	19.13	18.2	29.52, 0.00, 2.85	42.9	0.63
	133-206	61	470	63.9	28.59	1.00	21.47	30.5	29.68, 0.00, 5.58	63.9	0.71
	207-331	125	998	35.4	21.68	1.00	17.81	16.7	0.00, 9.80, 7.17	35.4	0.67
	332-406	75	587	31.8	18.29	1.00	16.11	18.4	9.23, 4.18, 0.00	31.8	0.73
	407-429	23	186	37.2	23.96	1.00	17.37	20.0	34.18, 2.90, 0.00	37.2	0.63
	430-446	17	138	47.7	27.06	1.00	20.01	21.9	0.00, 29.59, 31.98	47.7	0.62

Summary of Optimal TLS Group Partition using 8 Groups
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Analysis of TLS Group 8 Chain Segments (overall rmsd_b=17.78 and residual=21.97)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-72	72	538	36.7	20.72	1.00	16.87	18.5	0.00, 11.59, 14.70	36.7	0.68
	73-132	60	439	42.9	24.86	1.00	19.13	18.2	29.52, 0.00, 2.85	42.9	0.63
	133-206	61	470	63.9	28.59	1.00	21.47	30.5	29.68, 0.00, 5.58	63.9	0.71
	207-284	78	616	35.2	20.02	1.00	15.90	17.6	17.19, 4.54, 0.00	35.2	0.67
	285-337	53	423	34.7	23.47	1.00	18.80	9.3	18.22, 0.00, 3.28	34.7	0.63
	338-406	69	546	32.2	18.54	1.00	16.26	17.8	9.54, 4.86, 0.00	32.2	0.72
	407-429	23	186	37.2	23.96	1.00	17.37	20.0	34.18, 2.90, 0.00	37.2	0.63
	430-446	17	138	47.7	27.06	1.00	20.01	21.9	0.00, 29.59, 31.98	47.7	0.62

Summary of Optimal TLS Group Partition using 9 Groups
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Analysis of TLS Group 9 Chain Segments (overall rmsd_b=17.60 and residual=21.50)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-83	83	611	36.0	20.34	1.00	16.76	17.6	0.00, 11.08, 14.21	36.0	0.69
	84-99	16	126	47.1	26.95	1.00	19.25	19.2	87.42, 5.91, 0.00	47.1	0.64
	100-130	31	226	44.4	24.98	1.00	18.17	20.2	45.30, 5.69, 0.00	44.4	0.63
	131-206	63	484	63.2	28.65	1.00	21.67	26.6	29.45, 3.78, 0.00	63.2	0.71
	207-284	78	616	35.2	20.02	1.00	15.90	17.6	17.19, 4.54, 0.00	35.2	0.67
	285-337	53	423	34.7	23.47	1.00	18.80	9.3	18.22, 0.00, 3.28	34.7	0.63
	338-406	69	546	32.2	18.54	1.00	16.26	17.8	9.54, 4.86, 0.00	32.2	0.72
	407-429	23	186	37.2	23.96	1.00	17.37	20.0	34.18, 2.90, 0.00	37.2	0.63
	430-446	17	138	47.7	27.06	1.00	20.01	21.9	0.00, 29.59, 31.98	47.7	0.62

Summary of Optimal TLS Group Partition using 10 Groups
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Analysis of TLS Group 10 Chain Segments (overall rmsd_b=17.45 and residual=21.16)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-83	83	611	36.0	20.34	1.00	16.76	17.6	0.00, 11.08, 14.21	36.0	0.69
	84-99	16	126	47.1	26.95	1.00	19.25	19.2	87.42, 5.91, 0.00	47.1	0.64
	100-130	31	226	44.4	24.98	1.00	18.17	20.2	45.30, 5.69, 0.00	44.4	0.63
	131-168	31	231	64.5	28.25	1.00	20.88	35.9	29.13, 0.00, 6.68	64.5	0.72
	169-206	32	253	62.0	28.95	1.00	21.21	-64.9	41.73, 1.80, 0.00	62.0	0.68
	207-284	78	616	35.2	20.02	1.00	15.90	17.6	17.19, 4.54, 0.00	35.2	0.67
	285-337	53	423	34.7	23.47	1.00	18.80	9.3	18.22, 0.00, 3.28	34.7	0.63
	338-406	69	546	32.2	18.54	1.00	16.26	17.8	9.54, 4.86, 0.00	32.2	0.72
	407-429	23	186	37.2	23.96	1.00	17.37	20.0	34.18, 2.90, 0.00	37.2	0.63
	430-446	17	138	47.7	27.06	1.00	20.01	21.9	0.00, 29.59, 31.98	47.7	0.62

Summary of Optimal TLS Group Partition using 11 Groups
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Analysis of TLS Group 11 Chain Segments (overall rmsd_b=17.30 and residual=20.79)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-83	83	611	36.0	20.34	1.00	16.76	17.6	0.00, 11.08, 14.21	36.0	0.69
	84-99	16	126	47.1	26.95	1.00	19.25	19.2	87.42, 5.91, 0.00	47.1	0.64
	100-128	29	213	45.1	25.19	1.00	18.31	21.7	46.73, 6.30, 0.00	45.1	0.63
	129-144	16	109	68.3	29.17	1.00	20.86	66.5	10.24, 0.00, 0.00	68.3	0.69
	145-168	17	135	58.5	27.47	1.00	18.33	30.0	0.00, 21.78, 36.87	58.5	0.70
	169-206	32	253	62.0	28.95	1.00	21.21	-64.9	41.73, 1.80, 0.00	62.0	0.68
	207-284	78	616	35.2	20.02	1.00	15.90	17.6	17.19, 4.54, 0.00	35.2	0.67
	285-337	53	423	34.7	23.47	1.00	18.80	9.3	18.22, 0.00, 3.28	34.7	0.63
	338-406	69	546	32.2	18.54	1.00	16.26	17.8	9.54, 4.86, 0.00	32.2	0.72
	407-429	23	186	37.2	23.96	1.00	17.37	20.0	34.18, 2.90, 0.00	37.2	0.63
	430-446	17	138	47.7	27.06	1.00	20.01	21.9	0.00, 29.59, 31.98	47.7	0.62

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=17.17 and residual=20.47)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-83	83	611	36.0	20.34	1.00	16.76	17.6	0.00, 11.08, 14.21	36.0	0.69
	84-99	16	126	47.1	26.95	1.00	19.25	19.2	87.42, 5.91, 0.00	47.1	0.64
	100-128	29	213	45.1	25.19	1.00	18.31	21.7	46.73, 6.30, 0.00	45.1	0.63
	129-144	16	109	68.3	29.17	1.00	20.86	66.5	10.24, 0.00, 0.00	68.3	0.69
	145-168	17	135	58.5	27.47	1.00	18.33	30.0	0.00, 21.78, 36.87	58.5	0.70
	169-206	32	253	62.0	28.95	1.00	21.21	-64.9	41.73, 1.80, 0.00	62.0	0.68
	207-258	52	413	34.7	19.38	1.00	14.39	19.3	18.20, 3.47, 0.00	34.7	0.65
	259-288	30	243	35.7	20.83	1.00	16.94	15.5	35.50, 9.84, 0.00	35.7	0.68
	289-337	49	383	34.9	23.92	1.00	18.77	18.4	17.31, 0.00, 5.67	34.9	0.60
	338-406	69	546	32.2	18.54	1.00	16.26	17.8	9.54, 4.86, 0.00	32.2	0.72
	407-429	23	186	37.2	23.96	1.00	17.37	20.0	34.18, 2.90, 0.00	37.2	0.63
	430-446	17	138	47.7	27.06	1.00	20.01	21.9	0.00, 29.59, 31.98	47.7	0.62

Summary of Optimal TLS Group Partition using 13 Groups
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Analysis of TLS Group 13 Chain Segments (overall rmsd_b=17.05 and residual=20.20)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-83	83	611	36.0	20.34	1.00	16.76	17.6	0.00, 11.08, 14.21	36.0	0.69
	84-99	16	126	47.1	26.95	1.00	19.25	19.2	87.42, 5.91, 0.00	47.1	0.64
	100-128	29	213	45.1	25.19	1.00	18.31	21.7	46.73, 6.30, 0.00	45.1	0.63
	129-144	16	109	68.3	29.17	1.00	20.86	66.5	10.24, 0.00, 0.00	68.3	0.69
	145-168	17	135	58.5	27.47	1.00	18.33	30.0	0.00, 21.78, 36.87	58.5	0.70
	169-206	32	253	62.0	28.95	1.00	21.21	-64.9	41.73, 1.80, 0.00	62.0	0.68
	207-258	52	413	34.7	19.38	1.00	14.39	19.3	18.20, 3.47, 0.00	34.7	0.65
	259-288	30	243	35.7	20.83	1.00	16.94	15.5	35.50, 9.84, 0.00	35.7	0.68
	289-337	49	383	34.9	23.92	1.00	18.77	18.4	17.31, 0.00, 5.67	34.9	0.60
	338-402	65	516	32.0	18.57	1.00	16.20	17.9	0.00, 5.40, 8.83	32.0	0.72
	403-420	18	139	36.3	22.40	1.00	17.96	19.7	20.10, 0.00, 2.20	36.3	0.67
	421-438	18	148	38.7	22.94	1.00	15.33	16.5	49.03, 0.00, 4.09	38.7	0.60
	439-446	8	67	56.7	29.66	1.00	19.03	17.6	112.86, 37.01, 0.00	56.7	0.63

Summary of Optimal TLS Group Partition using 14 Groups
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Analysis of TLS Group 14 Chain Segments (overall rmsd_b=16.94 and residual=19.92)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-83	83	611	36.0	20.34	1.00	16.76	17.6	0.00, 11.08, 14.21	36.0	0.69
	84-99	16	126	47.1	26.95	1.00	19.25	19.2	87.42, 5.91, 0.00	47.1	0.64
	100-128	29	213	45.1	25.19	1.00	18.31	21.7	46.73, 6.30, 0.00	45.1	0.63
	129-144	16	109	68.3	29.17	1.00	20.86	66.5	10.24, 0.00, 0.00	68.3	0.69
	145-168	17	135	58.5	27.47	1.00	18.33	30.0	0.00, 21.78, 36.87	58.5	0.70
	169-206	32	253	62.0	28.95	1.00	21.21	-64.9	41.73, 1.80, 0.00	62.0	0.68
	207-258	52	413	34.7	19.38	1.00	14.39	19.3	18.20, 3.47, 0.00	34.7	0.65
	259-288	30	243	35.7	20.83	1.00	16.94	15.5	35.50, 9.84, 0.00	35.7	0.68
	289-326	38	298	33.9	23.15	1.00	18.28	19.0	20.11, 0.00, 2.41	33.9	0.63
	327-331	5	44	50.2	29.54	1.00	17.77	36.9	0.00, 249.23, 0.00	50.2	0.55
	332-402	71	557	31.6	18.30	1.00	16.06	18.4	8.58, 4.55, 0.00	31.6	0.73
	403-420	18	139	36.3	22.40	1.00	17.96	19.7	20.10, 0.00, 2.20	36.3	0.67
	421-438	18	148	38.7	22.94	1.00	15.33	16.5	49.03, 0.00, 4.09	38.7	0.60
	439-446	8	67	56.7	29.66	1.00	19.03	17.6	112.86, 37.01, 0.00	56.7	0.63

Summary of Optimal TLS Group Partition using 15 Groups
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Analysis of TLS Group 15 Chain Segments (overall rmsd_b=16.82 and residual=19.65)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-38	38	290	33.8	21.71	1.00	16.31	14.0	0.00, 13.21, 20.45	33.8	0.63
	39-88	50	363	37.8	18.55	1.00	16.61	22.9	13.46, 0.21, 3.02	37.8	0.76
	89-99	11	84	52.3	29.55	1.00	19.08	34.5	133.89, 0.00, 0.00	52.3	0.62
	100-128	29	213	45.1	25.19	1.00	18.31	21.7	46.73, 6.30, 0.00	45.1	0.63
	129-144	16	109	68.3	29.17	1.00	20.86	66.5	10.24, 0.00, 0.00	68.3	0.69
	145-168	17	135	58.5	27.47	1.00	18.33	30.0	0.00, 21.78, 36.87	58.5	0.70
	169-206	32	253	62.0	28.95	1.00	21.21	-64.9	41.73, 1.80, 0.00	62.0	0.68
	207-258	52	413	34.7	19.38	1.00	14.39	19.3	18.20, 3.47, 0.00	34.7	0.65
	259-288	30	243	35.7	20.83	1.00	16.94	15.5	35.50, 9.84, 0.00	35.7	0.68
	289-326	38	298	33.9	23.15	1.00	18.28	19.0	20.11, 0.00, 2.41	33.9	0.63
	327-331	5	44	50.2	29.54	1.00	17.77	36.9	0.00, 249.23, 0.00	50.2	0.55
	332-402	71	557	31.6	18.30	1.00	16.06	18.4	8.58, 4.55, 0.00	31.6	0.73
	403-420	18	139	36.3	22.40	1.00	17.96	19.7	20.10, 0.00, 2.20	36.3	0.67
	421-438	18	148	38.7	22.94	1.00	15.33	16.5	49.03, 0.00, 4.09	38.7	0.60
	439-446	8	67	56.7	29.66	1.00	19.03	17.6	112.86, 37.01, 0.00	56.7	0.63

Summary of Optimal TLS Group Partition using 16 Groups
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Analysis of TLS Group 16 Chain Segments (overall rmsd_b=16.72 and residual=19.42)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-38	38	290	33.8	21.71	1.00	16.31	14.0	0.00, 13.21, 20.45	33.8	0.63
	39-88	50	363	37.8	18.55	1.00	16.61	22.9	13.46, 0.21, 3.02	37.8	0.76
	89-99	11	84	52.3	29.55	1.00	19.08	34.5	133.89, 0.00, 0.00	52.3	0.62
	100-128	29	213	45.1	25.19	1.00	18.31	21.7	46.73, 6.30, 0.00	45.1	0.63
	129-144	16	109	68.3	29.17	1.00	20.86	66.5	10.24, 0.00, 0.00	68.3	0.69
	145-168	17	135	58.5	27.47	1.00	18.33	30.0	0.00, 21.78, 36.87	58.5	0.70
	169-206	32	253	62.0	28.95	1.00	21.21	-64.9	41.73, 1.80, 0.00	62.0	0.68
	207-258	52	413	34.7	19.38	1.00	14.39	19.3	18.20, 3.47, 0.00	34.7	0.65
	259-288	30	243	35.7	20.83	1.00	16.94	15.5	35.50, 9.84, 0.00	35.7	0.68
	289-320	32	249	29.7	19.42	1.00	16.78	14.7	22.10, 0.83, 0.00	29.7	0.69
	321-327	7	58	55.1	27.91	1.00	18.70	26.6	118.26, 60.86, 0.00	55.1	0.63
	328-333	6	49	41.7	28.41	1.00	12.00	4.1	143.50, 0.00, 44.57	41.7	0.43
	334-402	69	543	31.8	18.44	1.00	16.20	18.5	0.00, 4.97, 8.62	31.8	0.72
	403-420	18	139	36.3	22.40	1.00	17.96	19.7	20.10, 0.00, 2.20	36.3	0.67
	421-438	18	148	38.7	22.94	1.00	15.33	16.5	49.03, 0.00, 4.09	38.7	0.60
	439-446	8	67	56.7	29.66	1.00	19.03	17.6	112.86, 37.01, 0.00	56.7	0.63

Summary of Optimal TLS Group Partition using 17 Groups
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Analysis of TLS Group 17 Chain Segments (overall rmsd_b=16.63 and residual=19.20)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-38	38	290	33.8	21.71	1.00	16.31	14.0	0.00, 13.21, 20.45	33.8	0.63
	39-69	31	226	38.4	17.39	1.00	15.65	26.3	14.14, 4.15, 0.00	38.4	0.78
	70-89	20	142	36.6	20.00	1.00	16.40	18.9	20.79, 2.76, 0.00	36.6	0.70
	90-99	10	79	53.8	29.84	1.00	19.20	0.3	133.82, 2.14, 0.00	53.8	0.63
	100-128	29	213	45.1	25.19	1.00	18.31	21.7	46.73, 6.30, 0.00	45.1	0.63
	129-144	16	109	68.3	29.17	1.00	20.86	66.5	10.24, 0.00, 0.00	68.3	0.69
	145-168	17	135	58.5	27.47	1.00	18.33	30.0	0.00, 21.78, 36.87	58.5	0.70
	169-206	32	253	62.0	28.95	1.00	21.21	-64.9	41.73, 1.80, 0.00	62.0	0.68
	207-258	52	413	34.7	19.38	1.00	14.39	19.3	18.20, 3.47, 0.00	34.7	0.65
	259-288	30	243	35.7	20.83	1.00	16.94	15.5	35.50, 9.84, 0.00	35.7	0.68
	289-320	32	249	29.7	19.42	1.00	16.78	14.7	22.10, 0.83, 0.00	29.7	0.69
	321-327	7	58	55.1	27.91	1.00	18.70	26.6	118.26, 60.86, 0.00	55.1	0.63
	328-333	6	49	41.7	28.41	1.00	12.00	4.1	143.50, 0.00, 44.57	41.7	0.43
	334-402	69	543	31.8	18.44	1.00	16.20	18.5	0.00, 4.97, 8.62	31.8	0.72
	403-420	18	139	36.3	22.40	1.00	17.96	19.7	20.10, 0.00, 2.20	36.3	0.67
	421-438	18	148	38.7	22.94	1.00	15.33	16.5	49.03, 0.00, 4.09	38.7	0.60
	439-446	8	67	56.7	29.66	1.00	19.03	17.6	112.86, 37.01, 0.00	56.7	0.63

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=16.53 and residual=18.98)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-38	38	290	33.8	21.71	1.00	16.31	14.0	0.00, 13.21, 20.45	33.8	0.63
	39-69	31	226	38.4	17.39	1.00	15.65	26.3	14.14, 4.15, 0.00	38.4	0.78
	70-89	20	142	36.6	20.00	1.00	16.40	18.9	20.79, 2.76, 0.00	36.6	0.70
	90-96	7	58	51.0	29.17	1.00	16.84	19.0	165.32, 32.20, 0.00	51.0	0.58
	97-120	24	182	46.8	26.49	1.00	17.73	20.3	53.06, 0.00, 9.27	46.8	0.63
	121-127	7	45	47.7	25.26	1.00	16.28	23.2	194.37, 24.48, 0.00	47.7	0.66
	128-144	17	116	66.1	29.80	1.00	20.93	63.8	13.49, 0.00, 0.00	66.1	0.66
	145-168	17	135	58.5	27.47	1.00	18.33	30.0	0.00, 21.78, 36.87	58.5	0.70
	169-206	32	253	62.0	28.95	1.00	21.21	-64.9	41.73, 1.80, 0.00	62.0	0.68
	207-258	52	413	34.7	19.38	1.00	14.39	19.3	18.20, 3.47, 0.00	34.7	0.65
	259-288	30	243	35.7	20.83	1.00	16.94	15.5	35.50, 9.84, 0.00	35.7	0.68
	289-320	32	249	29.7	19.42	1.00	16.78	14.7	22.10, 0.83, 0.00	29.7	0.69
	321-327	7	58	55.1	27.91	1.00	18.70	26.6	118.26, 60.86, 0.00	55.1	0.63
	328-333	6	49	41.7	28.41	1.00	12.00	4.1	143.50, 0.00, 44.57	41.7	0.43
	334-402	69	543	31.8	18.44	1.00	16.20	18.5	0.00, 4.97, 8.62	31.8	0.72
	403-420	18	139	36.3	22.40	1.00	17.96	19.7	20.10, 0.00, 2.20	36.3	0.67
	421-438	18	148	38.7	22.94	1.00	15.33	16.5	49.03, 0.00, 4.09	38.7	0.60
	439-446	8	67	56.7	29.66	1.00	19.03	17.6	112.86, 37.01, 0.00	56.7	0.63

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=16.44 and residual=18.77)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-38	38	290	33.8	21.71	1.00	16.31	14.0	0.00, 13.21, 20.45	33.8	0.63
	39-69	31	226	38.4	17.39	1.00	15.65	26.3	14.14, 4.15, 0.00	38.4	0.78
	70-89	20	142	36.6	20.00	1.00	16.40	18.9	20.79, 2.76, 0.00	36.6	0.70
	90-99	10	79	53.8	29.84	1.00	19.20	0.3	133.82, 2.14, 0.00	53.8	0.63
	100-128	29	213	45.1	25.19	1.00	18.31	21.7	46.73, 6.30, 0.00	45.1	0.63
	129-144	16	109	68.3	29.17	1.00	20.86	66.5	10.24, 0.00, 0.00	68.3	0.69
	145-168	17	135	58.5	27.47	1.00	18.33	30.0	0.00, 21.78, 36.87	58.5	0.70
	169-206	32	253	62.0	28.95	1.00	21.21	-64.9	41.73, 1.80, 0.00	62.0	0.68
	207-258	52	413	34.7	19.38	1.00	14.39	19.3	18.20, 3.47, 0.00	34.7	0.65
	259-288	30	243	35.7	20.83	1.00	16.94	15.5	35.50, 9.84, 0.00	35.7	0.68
	289-320	32	249	29.7	19.42	1.00	16.78	14.7	22.10, 0.83, 0.00	29.7	0.69
	321-327	7	58	55.1	27.91	1.00	18.70	26.6	118.26, 60.86, 0.00	55.1	0.63
	328-333	6	49	41.7	28.41	1.00	12.00	4.1	143.50, 0.00, 44.57	41.7	0.43
	334-358	25	197	36.9	19.84	1.00	17.19	20.3	12.75, 7.10, 0.00	36.9	0.71
	359-392	34	266	28.5	15.88	1.00	13.46	18.1	9.90, 0.00, 2.30	28.5	0.70
	393-407	15	119	33.8	22.07	1.00	16.95	8.1	53.05, 19.87, 0.00	33.8	0.61
	408-429	22	177	36.1	22.86	1.00	16.33	17.0	30.68, 0.00, 3.07	36.1	0.61
	430-437	8	61	39.5	22.24	1.00	14.78	26.5	0.00, 124.18, 0.00	39.5	0.65
	438-446	9	77	54.1	28.75	1.00	18.60	-8.6	127.27, 7.78, 0.00	54.1	0.63

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=16.34 and residual=18.56)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-38	38	290	33.8	21.71	1.00	16.31	14.0	0.00, 13.21, 20.45	33.8	0.63
	39-69	31	226	38.4	17.39	1.00	15.65	26.3	14.14, 4.15, 0.00	38.4	0.78
	70-89	20	142	36.6	20.00	1.00	16.40	18.9	20.79, 2.76, 0.00	36.6	0.70
	90-96	7	58	51.0	29.17	1.00	16.84	19.0	165.32, 32.20, 0.00	51.0	0.58
	97-120	24	182	46.8	26.49	1.00	17.73	20.3	53.06, 0.00, 9.27	46.8	0.63
	121-127	7	45	47.7	25.26	1.00	16.28	23.2	194.37, 24.48, 0.00	47.7	0.66
	128-144	17	116	66.1	29.80	1.00	20.93	63.8	13.49, 0.00, 0.00	66.1	0.66
	145-168	17	135	58.5	27.47	1.00	18.33	30.0	0.00, 21.78, 36.87	58.5	0.70
	169-206	32	253	62.0	28.95	1.00	21.21	-64.9	41.73, 1.80, 0.00	62.0	0.68
	207-258	52	413	34.7	19.38	1.00	14.39	19.3	18.20, 3.47, 0.00	34.7	0.65
	259-288	30	243	35.7	20.83	1.00	16.94	15.5	35.50, 9.84, 0.00	35.7	0.68
	289-320	32	249	29.7	19.42	1.00	16.78	14.7	22.10, 0.83, 0.00	29.7	0.69
	321-327	7	58	55.1	27.91	1.00	18.70	26.6	118.26, 60.86, 0.00	55.1	0.63
	328-333	6	49	41.7	28.41	1.00	12.00	4.1	143.50, 0.00, 44.57	41.7	0.43
	334-358	25	197	36.9	19.84	1.00	17.19	20.3	12.75, 7.10, 0.00	36.9	0.71
	359-392	34	266	28.5	15.88	1.00	13.46	18.1	9.90, 0.00, 2.30	28.5	0.70
	393-407	15	119	33.8	22.07	1.00	16.95	8.1	53.05, 19.87, 0.00	33.8	0.61
	408-429	22	177	36.1	22.86	1.00	16.33	17.0	30.68, 0.00, 3.07	36.1	0.61
	430-437	8	61	39.5	22.24	1.00	14.78	26.5	0.00, 124.18, 0.00	39.5	0.65
	438-446	9	77	54.1	28.75	1.00	18.60	-8.6	127.27, 7.78, 0.00	54.1	0.63

26 Mar 2010

JobID: TLSMD7769_QGwZqBPa

TLSMD Version 1.4.1 Released 11 February 2010