1BNC: Chain B TLS Analysis

26 Mar 2010

JobID: TLSMD7769_QGwZqBPa

TLSMD Version 1.4.1

1BNC: 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
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Analysis of TLS Group 1 Chain Segments (overall rmsd_b=20.42 and residual=28.35)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-448	424	3261	44.3	26.39	1.00	20.48	20.2	5.99, 0.00, 2.72	44.3	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=19.82 and residual=26.71)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-330	306	2321	46.1	26.71	1.00	20.30	23.2	8.09, 0.00, 2.88	46.1	0.67
	331-448	118	940	39.9	25.03	1.00	19.01	19.3	0.00, 7.78, 10.98	39.9	0.62

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=19.30 and residual=25.34)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-116	116	872	42.4	24.05	1.00	19.48	16.4	12.62, 0.00, 6.05	42.4	0.70
	117-330	190	1449	48.3	27.96	1.00	19.62	21.3	10.40, 3.67, 0.00	48.3	0.62
	331-448	118	940	39.9	25.03	1.00	19.01	19.3	0.00, 7.78, 10.98	39.9	0.62

Summary of Optimal TLS Group Partition using 4 Groups
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Analysis of TLS Group 4 Chain Segments (overall rmsd_b=19.04 and residual=24.66)
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	39.6	22.59	1.00	18.25	17.9	0.00, 7.50, 18.95	39.6	0.66
	73-126	54	401	48.3	25.44	1.00	19.99	22.9	25.99, 0.00, 3.70	48.3	0.66
	127-330	180	1382	48.0	28.11	1.00	19.50	21.6	10.21, 3.71, 0.00	48.0	0.62
	331-448	118	940	39.9	25.03	1.00	19.01	19.3	0.00, 7.78, 10.98	39.9	0.62

Summary of Optimal TLS Group Partition using 5 Groups
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Analysis of TLS Group 5 Chain Segments (overall rmsd_b=18.78 and residual=23.98)
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	39.6	22.59	1.00	18.25	17.9	0.00, 7.50, 18.95	39.6	0.66
	73-132	60	439	48.0	25.15	1.00	20.10	23.8	25.96, 0.00, 2.97	48.0	0.67
	133-203	47	332	74.8	25.43	1.00	19.79	41.6	21.62, 6.85, 0.00	74.8	0.76
	204-330	127	1012	39.3	23.17	1.00	18.30	17.7	0.00, 9.87, 8.24	39.3	0.66
	331-448	118	940	39.9	25.03	1.00	19.01	19.3	0.00, 7.78, 10.98	39.9	0.62

Summary of Optimal TLS Group Partition using 6 Groups
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Analysis of TLS Group 6 Chain Segments (overall rmsd_b=18.59 and residual=23.50)
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	39.6	22.59	1.00	18.25	17.9	0.00, 7.50, 18.95	39.6	0.66
	73-126	54	401	48.3	25.44	1.00	19.99	22.9	25.99, 0.00, 3.70	48.3	0.66
	127-312	162	1243	47.9	28.35	1.00	18.87	20.1	10.60, 3.37, 0.00	47.9	0.59
	313-331	19	150	50.3	26.90	1.00	20.75	31.3	34.97, 0.00, 3.68	50.3	0.67
	332-418	87	680	34.7	20.47	1.00	16.61	17.8	0.00, 5.65, 14.43	34.7	0.67
	419-448	30	249	52.6	30.02	1.00	21.49	15.5	0.00, 28.54, 14.71	52.6	0.61

Summary of Optimal TLS Group Partition using 7 Groups
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Analysis of TLS Group 7 Chain Segments (overall rmsd_b=18.39 and residual=22.99)
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	39.6	22.59	1.00	18.25	17.9	0.00, 7.50, 18.95	39.6	0.66
	73-132	60	439	48.0	25.15	1.00	20.10	23.8	25.96, 0.00, 2.97	48.0	0.67
	133-203	47	332	74.8	25.43	1.00	19.79	41.6	21.62, 6.85, 0.00	74.8	0.76
	204-311	108	864	37.9	22.40	1.00	17.42	17.4	0.00, 8.60, 9.97	37.9	0.67
	312-331	20	159	48.9	26.87	1.00	20.42	32.3	38.26, 0.00, 3.09	48.9	0.64
	332-418	87	680	34.7	20.47	1.00	16.61	17.8	0.00, 5.65, 14.43	34.7	0.67
	419-448	30	249	52.6	30.02	1.00	21.49	15.5	0.00, 28.54, 14.71	52.6	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=18.20 and residual=22.53)
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	39.6	22.59	1.00	18.25	17.9	0.00, 7.50, 18.95	39.6	0.66
	73-132	60	439	48.0	25.15	1.00	20.10	23.8	25.96, 0.00, 2.97	48.0	0.67
	133-203	47	332	74.8	25.43	1.00	19.79	41.6	21.62, 6.85, 0.00	74.8	0.76
	204-311	108	864	37.9	22.40	1.00	17.42	17.4	0.00, 8.60, 9.97	37.9	0.67
	312-331	20	159	48.9	26.87	1.00	20.42	32.3	38.26, 0.00, 3.09	48.9	0.64
	332-402	71	557	34.6	20.51	1.00	16.47	18.2	0.00, 5.18, 12.83	34.6	0.67
	403-429	27	216	39.3	23.89	1.00	17.99	7.2	29.18, 5.19, 0.00	39.3	0.66
	430-448	19	156	57.2	30.80	1.00	21.97	19.6	0.00, 37.28, 18.67	57.2	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=18.02 and residual=22.08)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-88	88	653	38.7	21.67	1.00	17.92	18.3	14.87, 5.16, 2.08	38.7	0.69
	89-100	12	95	57.9	27.74	1.00	19.64	40.1	125.68, 0.00, 0.00	57.9	0.73
	101-123	23	168	49.1	24.51	1.00	18.52	36.3	0.00, 57.15, 0.00	49.1	0.70
	124-203	56	393	71.6	26.60	1.00	20.20	11.6	18.08, 3.10, 0.00	71.6	0.74
	204-311	108	864	37.9	22.40	1.00	17.42	17.4	0.00, 8.60, 9.97	37.9	0.67
	312-331	20	159	48.9	26.87	1.00	20.42	32.3	38.26, 0.00, 3.09	48.9	0.64
	332-402	71	557	34.6	20.51	1.00	16.47	18.2	0.00, 5.18, 12.83	34.6	0.67
	403-429	27	216	39.3	23.89	1.00	17.99	7.2	29.18, 5.19, 0.00	39.3	0.66
	430-448	19	156	57.2	30.80	1.00	21.97	19.6	0.00, 37.28, 18.67	57.2	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=17.88 and residual=21.74)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-6	6	48	52.9	29.18	1.00	24.99	-27.9	117.91, 0.00, 10.81	52.9	0.70
	7-88	82	605	37.6	20.55	1.00	16.64	17.2	13.56, 5.65, 3.44	37.6	0.69
	89-100	12	95	57.9	27.74	1.00	19.64	40.1	125.68, 0.00, 0.00	57.9	0.73
	101-123	23	168	49.1	24.51	1.00	18.52	36.3	0.00, 57.15, 0.00	49.1	0.70
	124-203	56	393	71.6	26.60	1.00	20.20	11.6	18.08, 3.10, 0.00	71.6	0.74
	204-311	108	864	37.9	22.40	1.00	17.42	17.4	0.00, 8.60, 9.97	37.9	0.67
	312-331	20	159	48.9	26.87	1.00	20.42	32.3	38.26, 0.00, 3.09	48.9	0.64
	332-402	71	557	34.6	20.51	1.00	16.47	18.2	0.00, 5.18, 12.83	34.6	0.67
	403-429	27	216	39.3	23.89	1.00	17.99	7.2	29.18, 5.19, 0.00	39.3	0.66
	430-448	19	156	57.2	30.80	1.00	21.97	19.6	0.00, 37.28, 18.67	57.2	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=17.77 and residual=21.47)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-6	6	48	52.9	29.18	1.00	24.99	-27.9	117.91, 0.00, 10.81	52.9	0.70
	7-88	82	605	37.6	20.55	1.00	16.64	17.2	13.56, 5.65, 3.44	37.6	0.69
	89-100	12	95	57.9	27.74	1.00	19.64	40.1	125.68, 0.00, 0.00	57.9	0.73
	101-123	23	168	49.1	24.51	1.00	18.52	36.3	0.00, 57.15, 0.00	49.1	0.70
	124-203	56	393	71.6	26.60	1.00	20.20	11.6	18.08, 3.10, 0.00	71.6	0.74
	204-311	108	864	37.9	22.40	1.00	17.42	17.4	0.00, 8.60, 9.97	37.9	0.67
	312-331	20	159	48.9	26.87	1.00	20.42	32.3	38.26, 0.00, 3.09	48.9	0.64
	332-381	50	396	35.8	21.16	1.00	16.02	14.7	13.72, 0.00, 4.56	35.8	0.62
	382-416	35	269	33.2	19.18	1.00	15.79	14.5	0.00, 8.25, 24.69	33.2	0.70
	417-440	24	199	43.6	26.33	1.00	20.63	1.3	48.85, 0.00, 2.20	43.6	0.64
	441-448	8	65	75.5	27.88	1.00	17.85	59.6	116.84, 0.00, 0.00	75.5	0.70

Summary of Optimal TLS Group Partition using 12 Groups
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Analysis of TLS Group 12 Chain Segments (overall rmsd_b=17.63 and residual=21.15)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-6	6	48	52.9	29.18	1.00	24.99	-27.9	117.91, 0.00, 10.81	52.9	0.70
	7-88	82	605	37.6	20.55	1.00	16.64	17.2	13.56, 5.65, 3.44	37.6	0.69
	89-100	12	95	57.9	27.74	1.00	19.64	40.1	125.68, 0.00, 0.00	57.9	0.73
	101-123	23	168	49.1	24.51	1.00	18.52	36.3	0.00, 57.15, 0.00	49.1	0.70
	124-203	56	393	71.6	26.60	1.00	20.20	11.6	18.08, 3.10, 0.00	71.6	0.74
	204-311	108	864	37.9	22.40	1.00	17.42	17.4	0.00, 8.60, 9.97	37.9	0.67
	312-331	20	159	48.9	26.87	1.00	20.42	32.3	38.26, 0.00, 3.09	48.9	0.64
	332-379	48	372	34.9	20.61	1.00	15.42	15.5	14.06, 0.00, 3.37	34.9	0.62
	380-384	5	46	49.3	25.67	1.00	20.08	32.4	0.00, 181.40, 0.00	49.3	0.72
	385-416	32	247	31.9	17.67	1.00	14.25	13.3	0.00, 8.95, 25.61	31.9	0.69
	417-440	24	199	43.6	26.33	1.00	20.63	1.3	48.85, 0.00, 2.20	43.6	0.64
	441-448	8	65	75.5	27.88	1.00	17.85	59.6	116.84, 0.00, 0.00	75.5	0.70

Summary of Optimal TLS Group Partition using 13 Groups
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Analysis of TLS Group 13 Chain Segments (overall rmsd_b=17.54 and residual=20.92)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-6	6	48	52.9	29.18	1.00	24.99	-27.9	117.91, 0.00, 10.81	52.9	0.70
	7-88	82	605	37.6	20.55	1.00	16.64	17.2	13.56, 5.65, 3.44	37.6	0.69
	89-100	12	95	57.9	27.74	1.00	19.64	40.1	125.68, 0.00, 0.00	57.9	0.73
	101-123	23	168	49.1	24.51	1.00	18.52	36.3	0.00, 57.15, 0.00	49.1	0.70
	124-206	59	418	71.3	26.61	1.00	20.64	21.1	18.37, 3.61, 0.00	71.3	0.74
	207-284	78	616	39.6	22.91	1.00	17.30	18.6	19.35, 0.00, 5.85	39.6	0.64
	285-310	26	214	29.7	16.15	1.00	14.59	20.2	0.00, 15.70, 0.00	29.7	0.77
	311-331	21	168	48.3	26.41	1.00	20.01	32.8	37.02, 0.00, 2.31	48.3	0.64
	332-379	48	372	34.9	20.61	1.00	15.42	15.5	14.06, 0.00, 3.37	34.9	0.62
	380-384	5	46	49.3	25.67	1.00	20.08	32.4	0.00, 181.40, 0.00	49.3	0.72
	385-416	32	247	31.9	17.67	1.00	14.25	13.3	0.00, 8.95, 25.61	31.9	0.69
	417-440	24	199	43.6	26.33	1.00	20.63	1.3	48.85, 0.00, 2.20	43.6	0.64
	441-448	8	65	75.5	27.88	1.00	17.85	59.6	116.84, 0.00, 0.00	75.5	0.70

Summary of Optimal TLS Group Partition using 14 Groups
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Analysis of TLS Group 14 Chain Segments (overall rmsd_b=17.43 and residual=20.65)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-6	6	48	52.9	29.18	1.00	24.99	-27.9	117.91, 0.00, 10.81	52.9	0.70
	7-88	82	605	37.6	20.55	1.00	16.64	17.2	13.56, 5.65, 3.44	37.6	0.69
	89-100	12	95	57.9	27.74	1.00	19.64	40.1	125.68, 0.00, 0.00	57.9	0.73
	101-123	23	168	49.1	24.51	1.00	18.52	36.3	0.00, 57.15, 0.00	49.1	0.70
	124-206	59	418	71.3	26.61	1.00	20.64	21.1	18.37, 3.61, 0.00	71.3	0.74
	207-275	69	536	39.1	22.69	1.00	16.83	18.6	17.52, 0.00, 6.22	39.1	0.62
	276-288	13	120	41.4	22.61	1.00	16.45	18.8	80.60, 0.00, 29.00	41.4	0.65
	289-310	22	174	27.8	14.79	1.00	13.82	21.1	11.86, 0.00, 0.00	27.8	0.83
	311-331	21	168	48.3	26.41	1.00	20.01	32.8	37.02, 0.00, 2.31	48.3	0.64
	332-379	48	372	34.9	20.61	1.00	15.42	15.5	14.06, 0.00, 3.37	34.9	0.62
	380-384	5	46	49.3	25.67	1.00	20.08	32.4	0.00, 181.40, 0.00	49.3	0.72
	385-416	32	247	31.9	17.67	1.00	14.25	13.3	0.00, 8.95, 25.61	31.9	0.69
	417-440	24	199	43.6	26.33	1.00	20.63	1.3	48.85, 0.00, 2.20	43.6	0.64
	441-448	8	65	75.5	27.88	1.00	17.85	59.6	116.84, 0.00, 0.00	75.5	0.70

Summary of Optimal TLS Group Partition using 15 Groups
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Analysis of TLS Group 15 Chain Segments (overall rmsd_b=17.32 and residual=20.41)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-6	6	48	52.9	29.18	1.00	24.99	-27.9	117.91, 0.00, 10.81	52.9	0.70
	7-88	82	605	37.6	20.55	1.00	16.64	17.2	13.56, 5.65, 3.44	37.6	0.69
	89-100	12	95	57.9	27.74	1.00	19.64	40.1	125.68, 0.00, 0.00	57.9	0.73
	101-123	23	168	49.1	24.51	1.00	18.52	36.3	0.00, 57.15, 0.00	49.1	0.70
	124-173	37	274	68.9	26.79	1.00	21.06	32.6	19.86, 5.02, 0.00	68.9	0.74
	174-201	17	98	83.4	21.84	1.00	16.17	24.5	36.07, 7.22, 0.00	83.4	0.79
	202-242	41	337	41.1	25.11	1.00	18.14	21.2	3.19, 0.00, 13.33	41.1	0.63
	243-289	47	373	40.4	21.71	1.00	17.58	18.3	22.48, 11.29, 0.00	40.4	0.71
	290-310	21	166	27.6	14.80	1.00	13.72	21.4	11.03, 0.00, 3.87	27.6	0.82
	311-331	21	168	48.3	26.41	1.00	20.01	32.8	37.02, 0.00, 2.31	48.3	0.64
	332-379	48	372	34.9	20.61	1.00	15.42	15.5	14.06, 0.00, 3.37	34.9	0.62
	380-384	5	46	49.3	25.67	1.00	20.08	32.4	0.00, 181.40, 0.00	49.3	0.72
	385-416	32	247	31.9	17.67	1.00	14.25	13.3	0.00, 8.95, 25.61	31.9	0.69
	417-440	24	199	43.6	26.33	1.00	20.63	1.3	48.85, 0.00, 2.20	43.6	0.64
	441-448	8	65	75.5	27.88	1.00	17.85	59.6	116.84, 0.00, 0.00	75.5	0.70

Summary of Optimal TLS Group Partition using 16 Groups
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Analysis of TLS Group 16 Chain Segments (overall rmsd_b=17.22 and residual=20.17)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-6	6	48	52.9	29.18	1.00	24.99	-27.9	117.91, 0.00, 10.81	52.9	0.70
	7-88	82	605	37.6	20.55	1.00	16.64	17.2	13.56, 5.65, 3.44	37.6	0.69
	89-100	12	95	57.9	27.74	1.00	19.64	40.1	125.68, 0.00, 0.00	57.9	0.73
	101-123	23	168	49.1	24.51	1.00	18.52	36.3	0.00, 57.15, 0.00	49.1	0.70
	124-173	37	274	68.9	26.79	1.00	21.06	32.6	19.86, 5.02, 0.00	68.9	0.74
	174-201	17	98	83.4	21.84	1.00	16.17	24.5	36.07, 7.22, 0.00	83.4	0.79
	202-253	52	415	40.5	24.58	1.00	18.36	19.5	13.35, 4.36, 0.00	40.5	0.66
	254-275	22	167	41.6	21.03	1.00	15.01	16.4	37.89, 0.00, 8.78	41.6	0.66
	276-288	13	120	41.4	22.61	1.00	16.45	18.8	80.60, 0.00, 29.00	41.4	0.65
	289-310	22	174	27.8	14.79	1.00	13.82	21.1	11.86, 0.00, 0.00	27.8	0.83
	311-331	21	168	48.3	26.41	1.00	20.01	32.8	37.02, 0.00, 2.31	48.3	0.64
	332-379	48	372	34.9	20.61	1.00	15.42	15.5	14.06, 0.00, 3.37	34.9	0.62
	380-384	5	46	49.3	25.67	1.00	20.08	32.4	0.00, 181.40, 0.00	49.3	0.72
	385-416	32	247	31.9	17.67	1.00	14.25	13.3	0.00, 8.95, 25.61	31.9	0.69
	417-440	24	199	43.6	26.33	1.00	20.63	1.3	48.85, 0.00, 2.20	43.6	0.64
	441-448	8	65	75.5	27.88	1.00	17.85	59.6	116.84, 0.00, 0.00	75.5	0.70

Summary of Optimal TLS Group Partition using 17 Groups
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Analysis of TLS Group 17 Chain Segments (overall rmsd_b=17.13 and residual=19.95)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-6	6	48	52.9	29.18	1.00	24.99	-27.9	117.91, 0.00, 10.81	52.9	0.70
	7-88	82	605	37.6	20.55	1.00	16.64	17.2	13.56, 5.65, 3.44	37.6	0.69
	89-100	12	95	57.9	27.74	1.00	19.64	40.1	125.68, 0.00, 0.00	57.9	0.73
	101-123	23	168	49.1	24.51	1.00	18.52	36.3	0.00, 57.15, 0.00	49.1	0.70
	124-173	37	274	68.9	26.79	1.00	21.06	32.6	19.86, 5.02, 0.00	68.9	0.74
	174-201	17	98	83.4	21.84	1.00	16.17	24.5	36.07, 7.22, 0.00	83.4	0.79
	202-253	52	415	40.5	24.58	1.00	18.36	19.5	13.35, 4.36, 0.00	40.5	0.66
	254-275	22	167	41.6	21.03	1.00	15.01	16.4	37.89, 0.00, 8.78	41.6	0.66
	276-288	13	120	41.4	22.61	1.00	16.45	18.8	80.60, 0.00, 29.00	41.4	0.65
	289-310	22	174	27.8	14.79	1.00	13.82	21.1	11.86, 0.00, 0.00	27.8	0.83
	311-331	21	168	48.3	26.41	1.00	20.01	32.8	37.02, 0.00, 2.31	48.3	0.64
	332-379	48	372	34.9	20.61	1.00	15.42	15.5	14.06, 0.00, 3.37	34.9	0.62
	380-384	5	46	49.3	25.67	1.00	20.08	32.4	0.00, 181.40, 0.00	49.3	0.72
	385-416	32	247	31.9	17.67	1.00	14.25	13.3	0.00, 8.95, 25.61	31.9	0.69
	417-427	11	91	39.5	25.41	1.00	16.55	12.9	123.18, 13.33, 0.00	39.5	0.61
	428-440	13	108	47.0	26.61	1.00	21.13	23.5	50.59, 19.17, 0.00	47.0	0.69
	441-448	8	65	75.5	27.88	1.00	17.85	59.6	116.84, 0.00, 0.00	75.5	0.70

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=17.03 and residual=19.73)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-6	6	48	52.9	29.18	1.00	24.99	-27.9	117.91, 0.00, 10.81	52.9	0.70
	7-39	33	250	34.3	22.16	1.00	16.04	14.8	0.00, 13.59, 23.89	34.3	0.63
	40-89	50	360	40.0	18.90	1.00	16.35	21.3	2.71, 7.36, 10.90	40.0	0.74
	90-100	11	90	58.8	28.16	1.00	19.97	37.7	123.24, 0.00, 9.63	58.8	0.73
	101-123	23	168	49.1	24.51	1.00	18.52	36.3	0.00, 57.15, 0.00	49.1	0.70
	124-173	37	274	68.9	26.79	1.00	21.06	32.6	19.86, 5.02, 0.00	68.9	0.74
	174-201	17	98	83.4	21.84	1.00	16.17	24.5	36.07, 7.22, 0.00	83.4	0.79
	202-253	52	415	40.5	24.58	1.00	18.36	19.5	13.35, 4.36, 0.00	40.5	0.66
	254-275	22	167	41.6	21.03	1.00	15.01	16.4	37.89, 0.00, 8.78	41.6	0.66
	276-288	13	120	41.4	22.61	1.00	16.45	18.8	80.60, 0.00, 29.00	41.4	0.65
	289-310	22	174	27.8	14.79	1.00	13.82	21.1	11.86, 0.00, 0.00	27.8	0.83
	311-331	21	168	48.3	26.41	1.00	20.01	32.8	37.02, 0.00, 2.31	48.3	0.64
	332-379	48	372	34.9	20.61	1.00	15.42	15.5	14.06, 0.00, 3.37	34.9	0.62
	380-384	5	46	49.3	25.67	1.00	20.08	32.4	0.00, 181.40, 0.00	49.3	0.72
	385-416	32	247	31.9	17.67	1.00	14.25	13.3	0.00, 8.95, 25.61	31.9	0.69
	417-427	11	91	39.5	25.41	1.00	16.55	12.9	123.18, 13.33, 0.00	39.5	0.61
	428-440	13	108	47.0	26.61	1.00	21.13	23.5	50.59, 19.17, 0.00	47.0	0.69
	441-448	8	65	75.5	27.88	1.00	17.85	59.6	116.84, 0.00, 0.00	75.5	0.70

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=16.94 and residual=19.52)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-6	6	48	52.9	29.18	1.00	24.99	-27.9	117.91, 0.00, 10.81	52.9	0.70
	7-39	33	250	34.3	22.16	1.00	16.04	14.8	0.00, 13.59, 23.89	34.3	0.63
	40-89	50	360	40.0	18.90	1.00	16.35	21.3	2.71, 7.36, 10.90	40.0	0.74
	90-100	11	90	58.8	28.16	1.00	19.97	37.7	123.24, 0.00, 9.63	58.8	0.73
	101-123	23	168	49.1	24.51	1.00	18.52	36.3	0.00, 57.15, 0.00	49.1	0.70
	124-173	37	274	68.9	26.79	1.00	21.06	32.6	19.86, 5.02, 0.00	68.9	0.74
	174-200	16	89	86.1	19.64	1.00	15.49	78.6	21.93, 0.00, 0.00	86.1	0.84
	201-207	7	62	55.8	26.69	1.00	23.13	45.4	0.00, 77.79, 0.00	55.8	0.76
	208-253	46	362	38.3	23.43	1.00	16.78	20.3	18.74, 5.28, 0.00	38.3	0.61
	254-275	22	167	41.6	21.03	1.00	15.01	16.4	37.89, 0.00, 8.78	41.6	0.66
	276-288	13	120	41.4	22.61	1.00	16.45	18.8	80.60, 0.00, 29.00	41.4	0.65
	289-310	22	174	27.8	14.79	1.00	13.82	21.1	11.86, 0.00, 0.00	27.8	0.83
	311-331	21	168	48.3	26.41	1.00	20.01	32.8	37.02, 0.00, 2.31	48.3	0.64
	332-379	48	372	34.9	20.61	1.00	15.42	15.5	14.06, 0.00, 3.37	34.9	0.62
	380-384	5	46	49.3	25.67	1.00	20.08	32.4	0.00, 181.40, 0.00	49.3	0.72
	385-416	32	247	31.9	17.67	1.00	14.25	13.3	0.00, 8.95, 25.61	31.9	0.69
	417-427	11	91	39.5	25.41	1.00	16.55	12.9	123.18, 13.33, 0.00	39.5	0.61
	428-440	13	108	47.0	26.61	1.00	21.13	23.5	50.59, 19.17, 0.00	47.0	0.69
	441-448	8	65	75.5	27.88	1.00	17.85	59.6	116.84, 0.00, 0.00	75.5	0.70

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=16.85 and residual=19.31)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-6	6	48	52.9	29.18	1.00	24.99	-27.9	117.91, 0.00, 10.81	52.9	0.70
	7-39	33	250	34.3	22.16	1.00	16.04	14.8	0.00, 13.59, 23.89	34.3	0.63
	40-89	50	360	40.0	18.90	1.00	16.35	21.3	2.71, 7.36, 10.90	40.0	0.74
	90-99	10	79	59.1	28.86	1.00	19.46	38.7	133.90, 0.00, 0.41	59.1	0.71
	100-114	15	118	45.2	22.32	1.00	16.93	27.1	68.96, 0.00, 5.75	45.2	0.69
	115-124	10	70	58.9	26.15	1.00	18.91	34.7	98.82, 0.00, 41.17	58.9	0.71
	125-173	36	265	69.0	26.82	1.00	20.87	33.7	19.89, 5.54, 0.00	69.0	0.74
	174-200	16	89	86.1	19.64	1.00	15.49	78.6	21.93, 0.00, 0.00	86.1	0.84
	201-207	7	62	55.8	26.69	1.00	23.13	45.4	0.00, 77.79, 0.00	55.8	0.76
	208-253	46	362	38.3	23.43	1.00	16.78	20.3	18.74, 5.28, 0.00	38.3	0.61
	254-275	22	167	41.6	21.03	1.00	15.01	16.4	37.89, 0.00, 8.78	41.6	0.66
	276-288	13	120	41.4	22.61	1.00	16.45	18.8	80.60, 0.00, 29.00	41.4	0.65
	289-310	22	174	27.8	14.79	1.00	13.82	21.1	11.86, 0.00, 0.00	27.8	0.83
	311-331	21	168	48.3	26.41	1.00	20.01	32.8	37.02, 0.00, 2.31	48.3	0.64
	332-379	48	372	34.9	20.61	1.00	15.42	15.5	14.06, 0.00, 3.37	34.9	0.62
	380-384	5	46	49.3	25.67	1.00	20.08	32.4	0.00, 181.40, 0.00	49.3	0.72
	385-416	32	247	31.9	17.67	1.00	14.25	13.3	0.00, 8.95, 25.61	31.9	0.69
	417-427	11	91	39.5	25.41	1.00	16.55	12.9	123.18, 13.33, 0.00	39.5	0.61
	428-440	13	108	47.0	26.61	1.00	21.13	23.5	50.59, 19.17, 0.00	47.0	0.69
	441-448	8	65	75.5	27.88	1.00	17.85	59.6	116.84, 0.00, 0.00	75.5	0.70

26 Mar 2010

JobID: TLSMD7769_QGwZqBPa

TLSMD Version 1.4.1 Released 11 February 2010