2GBP: Chain A TLS Analysis

26 Mar 2010

JobID: TLSMD7776_QyMEqzgE

TLSMD Version 1.4.1

2GBP: Chain A TLS Analysis

Chain A Optimization Residual

TLSMD selects the optimal partition of a chain into 1 to 20 TLS groups by minimizing an overall residual function. This plot shows the value of the residual as a function of the number of TLS groups allowed in the partition. Adding additional TLS groups will always make this residual lower, but there is an issue of diminishing returns as you go to larger numbers of groups. The individual TLS segments are analyzed below.

TLS Partition Segment Alignment of Chain A

# of TLS Groups	Segment/Sequence Alignment
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20

# of TLS
Groups

Segment/Sequence Alignment

This plot shows the location along the protein sequence of the optimal TLS group segments, and how those segments align with the optimal TLS group segments as the number of TLS groups used increases.

Summary of Optimal TLS Group Partition using 1 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 1 Chain Segments (overall rmsd_b=6.73 and residual=2.24)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-309	309	2348	17.5	10.69	1.00	6.74	3.1	6.99, 2.38, 0.00	17.5	0.58

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=6.24 and residual=1.93)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-34	34	266	19.3	13.14	1.00	5.72	7.1	0.00, 13.72, 7.20	19.3	0.47
	35-309	275	2082	17.3	10.31	1.00	6.37	2.8	7.40, 2.26, 0.00	17.3	0.59

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=5.80 and residual=1.67)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-13	13	106	21.9	17.34	1.00	4.73	7.4	0.00, 21.85, 9.79	21.9	0.39
	14-304	291	2198	16.6	9.04	1.00	5.87	4.1	5.95, 2.15, 0.00	16.6	0.61
	305-309	5	44	51.3	7.98	1.00	5.25	48.4	0.00, 17.55, 0.00	51.3	0.86

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=5.50 and residual=1.50)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-113	113	872	17.7	10.21	1.00	5.58	4.0	7.11, 0.33, 2.85	17.7	0.57
	114-226	113	867	14.9	8.44	1.00	5.71	3.7	0.00, 6.02, 6.19	14.9	0.61
	227-299	73	527	18.3	9.88	1.00	4.83	4.9	13.27, 0.00, 1.94	18.3	0.58
	300-309	10	82	38.4	16.48	1.00	7.86	29.5	0.00, 58.39, 0.00	38.4	0.62

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=5.21 and residual=1.34)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-12	12	98	22.0	17.89	1.00	4.50	8.2	22.24, 0.00, 6.98	22.0	0.37
	13-129	117	894	16.5	8.37	1.00	4.91	4.1	6.38, 0.00, 2.23	16.5	0.62
	130-226	97	747	15.3	8.81	1.00	5.90	3.9	0.00, 5.95, 6.78	15.3	0.61
	227-299	73	527	18.3	9.88	1.00	4.83	4.9	13.27, 0.00, 1.94	18.3	0.58
	300-309	10	82	38.4	16.48	1.00	7.86	29.5	0.00, 58.39, 0.00	38.4	0.62

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=4.98 and residual=1.23)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-12	12	98	22.0	17.89	1.00	4.50	8.2	22.24, 0.00, 6.98	22.0	0.37
	13-129	117	894	16.5	8.37	1.00	4.91	4.1	6.38, 0.00, 2.23	16.5	0.62
	130-193	64	509	15.1	7.88	1.00	5.05	3.8	0.00, 5.47, 7.24	15.1	0.64
	194-226	33	238	15.8	10.52	1.00	6.16	2.7	12.70, 6.08, 0.00	15.8	0.48
	227-299	73	527	18.3	9.88	1.00	4.83	4.9	13.27, 0.00, 1.94	18.3	0.58
	300-309	10	82	38.4	16.48	1.00	7.86	29.5	0.00, 58.39, 0.00	38.4	0.62

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=4.80 and residual=1.14)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-12	12	98	22.0	17.89	1.00	4.50	8.2	22.24, 0.00, 6.98	22.0	0.37
	13-129	117	894	16.5	8.37	1.00	4.91	4.1	6.38, 0.00, 2.23	16.5	0.62
	130-186	57	453	14.9	7.75	1.00	4.65	3.6	0.00, 5.44, 7.17	14.9	0.62
	187-205	19	147	18.0	9.96	1.00	6.81	8.9	17.47, 0.20, 0.00	18.0	0.62
	206-231	26	183	14.9	9.97	1.00	5.15	3.1	18.32, 8.70, 0.00	14.9	0.48
	232-299	68	491	18.2	9.97	1.00	4.76	5.5	14.14, 0.00, 2.04	18.2	0.57
	300-309	10	82	38.4	16.48	1.00	7.86	29.5	0.00, 58.39, 0.00	38.4	0.62

Summary of Optimal TLS Group Partition using 8 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 8 Chain Segments (overall rmsd_b=4.61 and residual=1.05)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-12	12	98	22.0	17.89	1.00	4.50	8.2	22.24, 0.00, 6.98	22.0	0.37
	13-129	117	894	16.5	8.37	1.00	4.91	4.1	6.38, 0.00, 2.23	16.5	0.62
	130-186	57	453	14.9	7.75	1.00	4.65	3.6	0.00, 5.44, 7.17	14.9	0.62
	187-208	22	169	16.8	9.90	1.00	6.49	5.6	17.13, 2.27, 0.00	16.8	0.56
	209-235	27	190	14.6	9.87	1.00	5.10	4.2	17.65, 8.66, 0.00	14.6	0.48
	236-274	39	275	16.3	7.96	1.00	4.17	6.7	27.08, 0.00, 1.96	16.3	0.63
	275-304	30	225	22.7	11.08	1.00	5.24	8.8	14.21, 0.00, 3.04	22.7	0.60
	305-309	5	44	51.3	7.98	1.00	5.25	48.4	0.00, 17.55, 0.00	51.3	0.86

Summary of Optimal TLS Group Partition using 9 Groups
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Analysis of TLS Group 9 Chain Segments (overall rmsd_b=4.47 and residual=0.99)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-12	12	98	22.0	17.89	1.00	4.50	8.2	22.24, 0.00, 6.98	22.0	0.37
	13-35	23	177	18.3	9.20	1.00	4.05	4.9	23.82, 2.27, 0.00	18.3	0.55
	36-111	76	582	16.8	8.35	1.00	4.55	5.1	7.62, 4.63, 0.52	16.8	0.59
	112-183	72	568	14.6	7.49	1.00	4.75	2.8	7.06, 3.07, 2.38	14.6	0.62
	184-205	22	167	17.3	9.65	1.00	6.87	9.3	12.91, 0.03, 0.00	17.3	0.61
	206-235	30	212	14.0	9.59	1.00	4.95	3.9	16.01, 8.30, 0.00	14.0	0.48
	236-274	39	275	16.3	7.96	1.00	4.17	6.7	27.08, 0.00, 1.96	16.3	0.63
	275-304	30	225	22.7	11.08	1.00	5.24	8.8	14.21, 0.00, 3.04	22.7	0.60
	305-309	5	44	51.3	7.98	1.00	5.25	48.4	0.00, 17.55, 0.00	51.3	0.86

Summary of Optimal TLS Group Partition using 10 Groups
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Analysis of TLS Group 10 Chain Segments (overall rmsd_b=4.32 and residual=0.93)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-12	12	98	22.0	17.89	1.00	4.50	8.2	22.24, 0.00, 6.98	22.0	0.37
	13-35	23	177	18.3	9.20	1.00	4.05	4.9	23.82, 2.27, 0.00	18.3	0.55
	36-102	67	510	17.0	8.02	1.00	4.34	5.4	0.10, 6.96, 8.69	17.0	0.62
	103-129	27	207	14.0	7.84	1.00	3.77	6.7	23.23, 0.00, 2.10	14.0	0.60
	130-186	57	453	14.9	7.75	1.00	4.65	3.6	0.00, 5.44, 7.17	14.9	0.62
	187-208	22	169	16.8	9.90	1.00	6.49	5.6	17.13, 2.27, 0.00	16.8	0.56
	209-235	27	190	14.6	9.87	1.00	5.10	4.2	17.65, 8.66, 0.00	14.6	0.48
	236-274	39	275	16.3	7.96	1.00	4.17	6.7	27.08, 0.00, 1.96	16.3	0.63
	275-304	30	225	22.7	11.08	1.00	5.24	8.8	14.21, 0.00, 3.04	22.7	0.60
	305-309	5	44	51.3	7.98	1.00	5.25	48.4	0.00, 17.55, 0.00	51.3	0.86

Summary of Optimal TLS Group Partition using 11 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 11 Chain Segments (overall rmsd_b=4.18 and residual=0.87)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-12	12	98	22.0	17.89	1.00	4.50	8.2	22.24, 0.00, 6.98	22.0	0.37
	13-35	23	177	18.3	9.20	1.00	4.05	4.9	23.82, 2.27, 0.00	18.3	0.55
	36-102	67	510	17.0	8.02	1.00	4.34	5.4	0.10, 6.96, 8.69	17.0	0.62
	103-129	27	207	14.0	7.84	1.00	3.77	6.7	23.23, 0.00, 2.10	14.0	0.60
	130-183	54	433	15.1	7.86	1.00	4.70	3.9	0.00, 5.44, 7.96	15.1	0.62
	184-201	18	133	16.5	8.44	1.00	3.97	6.2	45.33, 5.08, 0.00	16.5	0.60
	202-210	9	69	14.1	11.13	1.00	4.21	2.8	49.96, 5.89, 0.00	14.1	0.44
	211-235	25	177	15.2	10.01	1.00	5.14	4.0	18.68, 8.81, 0.00	15.2	0.49
	236-274	39	275	16.3	7.96	1.00	4.17	6.7	27.08, 0.00, 1.96	16.3	0.63
	275-304	30	225	22.7	11.08	1.00	5.24	8.8	14.21, 0.00, 3.04	22.7	0.60
	305-309	5	44	51.3	7.98	1.00	5.25	48.4	0.00, 17.55, 0.00	51.3	0.86

Summary of Optimal TLS Group Partition using 12 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 12 Chain Segments (overall rmsd_b=4.05 and residual=0.81)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-12	12	98	22.0	17.89	1.00	4.50	8.2	22.24, 0.00, 6.98	22.0	0.37
	13-35	23	177	18.3	9.20	1.00	4.05	4.9	23.82, 2.27, 0.00	18.3	0.55
	36-102	67	510	17.0	8.02	1.00	4.34	5.4	0.10, 6.96, 8.69	17.0	0.62
	103-129	27	207	14.0	7.84	1.00	3.77	6.7	23.23, 0.00, 2.10	14.0	0.60
	130-183	54	433	15.1	7.86	1.00	4.70	3.9	0.00, 5.44, 7.96	15.1	0.62
	184-201	18	133	16.5	8.44	1.00	3.97	6.2	45.33, 5.08, 0.00	16.5	0.60
	202-210	9	69	14.1	11.13	1.00	4.21	2.8	49.96, 5.89, 0.00	14.1	0.44
	211-229	19	133	17.1	10.74	1.00	5.28	4.8	29.16, 8.39, 0.00	17.1	0.52
	230-258	29	198	14.4	7.93	1.00	4.38	7.6	16.27, 0.00, 3.06	14.4	0.56
	259-280	22	156	20.5	10.23	1.00	3.18	9.1	26.11, 7.67, 0.00	20.5	0.56
	281-304	24	190	20.8	10.42	1.00	5.07	9.7	14.62, 0.00, 0.01	20.8	0.59
	305-309	5	44	51.3	7.98	1.00	5.25	48.4	0.00, 17.55, 0.00	51.3	0.86

Summary of Optimal TLS Group Partition using 13 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 13 Chain Segments (overall rmsd_b=3.94 and residual=0.77)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-12	12	98	22.0	17.89	1.00	4.50	8.2	22.24, 0.00, 6.98	22.0	0.37
	13-35	23	177	18.3	9.20	1.00	4.05	4.9	23.82, 2.27, 0.00	18.3	0.55
	36-104	69	527	17.4	8.45	1.00	4.48	5.1	0.56, 6.84, 8.86	17.4	0.61
	105-126	22	166	12.0	5.70	1.00	3.02	8.1	25.99, 0.00, 0.47	12.0	0.67
	127-132	6	45	22.3	11.09	1.00	3.90	6.3	73.76, 0.00, 3.39	22.3	0.60
	133-183	51	412	14.4	6.77	1.00	4.22	5.2	8.12, 5.02, 0.00	14.4	0.65
	184-201	18	133	16.5	8.44	1.00	3.97	6.2	45.33, 5.08, 0.00	16.5	0.60
	202-210	9	69	14.1	11.13	1.00	4.21	2.8	49.96, 5.89, 0.00	14.1	0.44
	211-229	19	133	17.1	10.74	1.00	5.28	4.8	29.16, 8.39, 0.00	17.1	0.52
	230-258	29	198	14.4	7.93	1.00	4.38	7.6	16.27, 0.00, 3.06	14.4	0.56
	259-280	22	156	20.5	10.23	1.00	3.18	9.1	26.11, 7.67, 0.00	20.5	0.56
	281-304	24	190	20.8	10.42	1.00	5.07	9.7	14.62, 0.00, 0.01	20.8	0.59
	305-309	5	44	51.3	7.98	1.00	5.25	48.4	0.00, 17.55, 0.00	51.3	0.86

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=3.84 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>
	1-12	12	98	22.0	17.89	1.00	4.50	8.2	22.24, 0.00, 6.98	22.0	0.37
	13-35	23	177	18.3	9.20	1.00	4.05	4.9	23.82, 2.27, 0.00	18.3	0.55
	36-104	69	527	17.4	8.45	1.00	4.48	5.1	0.56, 6.84, 8.86	17.4	0.61
	105-126	22	166	12.0	5.70	1.00	3.02	8.1	25.99, 0.00, 0.47	12.0	0.67
	127-132	6	45	22.3	11.09	1.00	3.90	6.3	73.76, 0.00, 3.39	22.3	0.60
	133-183	51	412	14.4	6.77	1.00	4.22	5.2	8.12, 5.02, 0.00	14.4	0.65
	184-201	18	133	16.5	8.44	1.00	3.97	6.2	45.33, 5.08, 0.00	16.5	0.60
	202-210	9	69	14.1	11.13	1.00	4.21	2.8	49.96, 5.89, 0.00	14.1	0.44
	211-229	19	133	17.1	10.74	1.00	5.28	4.8	29.16, 8.39, 0.00	17.1	0.52
	230-258	29	198	14.4	7.93	1.00	4.38	7.6	16.27, 0.00, 3.06	14.4	0.56
	259-280	22	156	20.5	10.23	1.00	3.18	9.1	26.11, 7.67, 0.00	20.5	0.56
	281-297	17	137	21.0	10.57	1.00	4.01	16.6	0.00, 14.50, 0.00	21.0	0.58
	298-304	7	53	20.1	10.00	1.00	2.84	9.1	0.00, 37.92, 31.12	20.1	0.58
	305-309	5	44	51.3	7.98	1.00	5.25	48.4	0.00, 17.55, 0.00	51.3	0.86

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=3.74 and residual=0.69)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-12	12	98	22.0	17.89	1.00	4.50	8.2	22.24, 0.00, 6.98	22.0	0.37
	13-35	23	177	18.3	9.20	1.00	4.05	4.9	23.82, 2.27, 0.00	18.3	0.55
	36-60	25	193	16.3	6.63	1.00	4.35	8.9	0.00, 16.52, 6.86	16.3	0.70
	61-92	32	236	15.7	8.25	1.00	3.43	5.7	0.00, 5.91, 13.34	15.7	0.55
	93-129	37	288	16.3	8.80	1.00	4.26	8.8	14.79, 0.00, 2.03	16.3	0.59
	130-140	11	89	22.6	9.44	1.00	3.78	12.5	0.00, 17.47, 30.12	22.6	0.64
	141-183	43	344	13.1	6.02	1.00	4.18	6.1	8.11, 4.38, 0.00	13.1	0.68
	184-201	18	133	16.5	8.44	1.00	3.97	6.2	45.33, 5.08, 0.00	16.5	0.60
	202-210	9	69	14.1	11.13	1.00	4.21	2.8	49.96, 5.89, 0.00	14.1	0.44
	211-229	19	133	17.1	10.74	1.00	5.28	4.8	29.16, 8.39, 0.00	17.1	0.52
	230-258	29	198	14.4	7.93	1.00	4.38	7.6	16.27, 0.00, 3.06	14.4	0.56
	259-280	22	156	20.5	10.23	1.00	3.18	9.1	26.11, 7.67, 0.00	20.5	0.56
	281-297	17	137	21.0	10.57	1.00	4.01	16.6	0.00, 14.50, 0.00	21.0	0.58
	298-304	7	53	20.1	10.00	1.00	2.84	9.1	0.00, 37.92, 31.12	20.1	0.58
	305-309	5	44	51.3	7.98	1.00	5.25	48.4	0.00, 17.55, 0.00	51.3	0.86

Summary of Optimal TLS Group Partition using 16 Groups
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Analysis of TLS Group 16 Chain Segments (overall rmsd_b=3.64 and residual=0.66)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-12	12	98	22.0	17.89	1.00	4.50	8.2	22.24, 0.00, 6.98	22.0	0.37
	13-35	23	177	18.3	9.20	1.00	4.05	4.9	23.82, 2.27, 0.00	18.3	0.55
	36-102	67	510	17.0	8.02	1.00	4.34	5.4	0.10, 6.96, 8.69	17.0	0.62
	103-130	28	215	14.4	8.05	1.00	4.01	6.2	23.96, 0.00, 2.02	14.4	0.60
	131-137	7	60	22.9	10.58	1.00	3.07	14.9	34.00, 0.00, 10.13	22.9	0.60
	138-166	29	227	12.5	5.27	1.00	3.08	6.7	9.18, 2.64, 0.00	12.5	0.68
	167-176	10	79	17.1	7.76	1.00	3.50	8.3	43.55, 3.55, 0.00	17.1	0.65
	177-190	14	110	13.4	6.57	1.00	3.73	1.9	0.00, 12.27, 17.07	13.4	0.63
	191-201	11	82	18.0	8.81	1.00	3.15	8.4	40.91, 3.04, 7.51	18.0	0.59
	202-210	9	69	14.1	11.13	1.00	4.21	2.8	49.96, 5.89, 0.00	14.1	0.44
	211-229	19	133	17.1	10.74	1.00	5.28	4.8	29.16, 8.39, 0.00	17.1	0.52
	230-258	29	198	14.4	7.93	1.00	4.38	7.6	16.27, 0.00, 3.06	14.4	0.56
	259-280	22	156	20.5	10.23	1.00	3.18	9.1	26.11, 7.67, 0.00	20.5	0.56
	281-297	17	137	21.0	10.57	1.00	4.01	16.6	0.00, 14.50, 0.00	21.0	0.58
	298-304	7	53	20.1	10.00	1.00	2.84	9.1	0.00, 37.92, 31.12	20.1	0.58
	305-309	5	44	51.3	7.98	1.00	5.25	48.4	0.00, 17.55, 0.00	51.3	0.86

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=3.54 and residual=0.62)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-12	12	98	22.0	17.89	1.00	4.50	8.2	22.24, 0.00, 6.98	22.0	0.37
	13-35	23	177	18.3	9.20	1.00	4.05	4.9	23.82, 2.27, 0.00	18.3	0.55
	36-60	25	193	16.3	6.63	1.00	4.35	8.9	0.00, 16.52, 6.86	16.3	0.70
	61-92	32	236	15.7	8.25	1.00	3.43	5.7	0.00, 5.91, 13.34	15.7	0.55
	93-129	37	288	16.3	8.80	1.00	4.26	8.8	14.79, 0.00, 2.03	16.3	0.59
	130-140	11	89	22.6	9.44	1.00	3.78	12.5	0.00, 17.47, 30.12	22.6	0.64
	141-166	26	206	11.6	4.34	1.00	2.80	7.2	7.98, 3.04, 0.00	11.6	0.73
	167-176	10	79	17.1	7.76	1.00	3.50	8.3	43.55, 3.55, 0.00	17.1	0.65
	177-190	14	110	13.4	6.57	1.00	3.73	1.9	0.00, 12.27, 17.07	13.4	0.63
	191-201	11	82	18.0	8.81	1.00	3.15	8.4	40.91, 3.04, 7.51	18.0	0.59
	202-210	9	69	14.1	11.13	1.00	4.21	2.8	49.96, 5.89, 0.00	14.1	0.44
	211-229	19	133	17.1	10.74	1.00	5.28	4.8	29.16, 8.39, 0.00	17.1	0.52
	230-258	29	198	14.4	7.93	1.00	4.38	7.6	16.27, 0.00, 3.06	14.4	0.56
	259-280	22	156	20.5	10.23	1.00	3.18	9.1	26.11, 7.67, 0.00	20.5	0.56
	281-297	17	137	21.0	10.57	1.00	4.01	16.6	0.00, 14.50, 0.00	21.0	0.58
	298-304	7	53	20.1	10.00	1.00	2.84	9.1	0.00, 37.92, 31.12	20.1	0.58
	305-309	5	44	51.3	7.98	1.00	5.25	48.4	0.00, 17.55, 0.00	51.3	0.86

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=3.44 and residual=0.59)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-12	12	98	22.0	17.89	1.00	4.50	8.2	22.24, 0.00, 6.98	22.0	0.37
	13-35	23	177	18.3	9.20	1.00	4.05	4.9	23.82, 2.27, 0.00	18.3	0.55
	36-60	25	193	16.3	6.63	1.00	4.35	8.9	0.00, 16.52, 6.86	16.3	0.70
	61-92	32	236	15.7	8.25	1.00	3.43	5.7	0.00, 5.91, 13.34	15.7	0.55
	93-104	12	98	23.5	9.31	1.00	3.90	9.8	25.53, 0.00, 12.58	23.5	0.65
	105-126	22	166	12.0	5.70	1.00	3.02	8.1	25.99, 0.00, 0.47	12.0	0.67
	127-132	6	45	22.3	11.09	1.00	3.90	6.3	73.76, 0.00, 3.39	22.3	0.60
	133-166	34	274	13.9	6.39	1.00	3.31	5.8	0.00, 4.69, 8.76	13.9	0.62
	167-176	10	79	17.1	7.76	1.00	3.50	8.3	43.55, 3.55, 0.00	17.1	0.65
	177-190	14	110	13.4	6.57	1.00	3.73	1.9	0.00, 12.27, 17.07	13.4	0.63
	191-201	11	82	18.0	8.81	1.00	3.15	8.4	40.91, 3.04, 7.51	18.0	0.59
	202-210	9	69	14.1	11.13	1.00	4.21	2.8	49.96, 5.89, 0.00	14.1	0.44
	211-229	19	133	17.1	10.74	1.00	5.28	4.8	29.16, 8.39, 0.00	17.1	0.52
	230-258	29	198	14.4	7.93	1.00	4.38	7.6	16.27, 0.00, 3.06	14.4	0.56
	259-280	22	156	20.5	10.23	1.00	3.18	9.1	26.11, 7.67, 0.00	20.5	0.56
	281-297	17	137	21.0	10.57	1.00	4.01	16.6	0.00, 14.50, 0.00	21.0	0.58
	298-304	7	53	20.1	10.00	1.00	2.84	9.1	0.00, 37.92, 31.12	20.1	0.58
	305-309	5	44	51.3	7.98	1.00	5.25	48.4	0.00, 17.55, 0.00	51.3	0.86

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=3.35 and residual=0.56)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-12	12	98	22.0	17.89	1.00	4.50	8.2	22.24, 0.00, 6.98	22.0	0.37
	13-35	23	177	18.3	9.20	1.00	4.05	4.9	23.82, 2.27, 0.00	18.3	0.55
	36-60	25	193	16.3	6.63	1.00	4.35	8.9	0.00, 16.52, 6.86	16.3	0.70
	61-92	32	236	15.7	8.25	1.00	3.43	5.7	0.00, 5.91, 13.34	15.7	0.55
	93-104	12	98	23.5	9.31	1.00	3.90	9.8	25.53, 0.00, 12.58	23.5	0.65
	105-126	22	166	12.0	5.70	1.00	3.02	8.1	25.99, 0.00, 0.47	12.0	0.67
	127-132	6	45	22.3	11.09	1.00	3.90	6.3	73.76, 0.00, 3.39	22.3	0.60
	133-166	34	274	13.9	6.39	1.00	3.31	5.8	0.00, 4.69, 8.76	13.9	0.62
	167-176	10	79	17.1	7.76	1.00	3.50	8.3	43.55, 3.55, 0.00	17.1	0.65
	177-190	14	110	13.4	6.57	1.00	3.73	1.9	0.00, 12.27, 17.07	13.4	0.63
	191-201	11	82	18.0	8.81	1.00	3.15	8.4	40.91, 3.04, 7.51	18.0	0.59
	202-210	9	69	14.1	11.13	1.00	4.21	2.8	49.96, 5.89, 0.00	14.1	0.44
	211-229	19	133	17.1	10.74	1.00	5.28	4.8	29.16, 8.39, 0.00	17.1	0.52
	230-244	15	107	14.1	7.99	1.00	4.01	6.2	21.14, 0.00, 4.33	14.1	0.52
	245-256	12	78	15.3	8.32	1.00	2.83	7.6	28.40, 0.00, 2.39	15.3	0.57
	257-280	24	169	19.9	10.12	1.00	3.23	8.6	26.16, 7.28, 0.00	19.9	0.56
	281-297	17	137	21.0	10.57	1.00	4.01	16.6	0.00, 14.50, 0.00	21.0	0.58
	298-304	7	53	20.1	10.00	1.00	2.84	9.1	0.00, 37.92, 31.12	20.1	0.58
	305-309	5	44	51.3	7.98	1.00	5.25	48.4	0.00, 17.55, 0.00	51.3	0.86

Summary of Optimal TLS Group Partition using 20 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 20 Chain Segments (overall rmsd_b=3.26 and residual=0.53)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	1-12	12	98	22.0	17.89	1.00	4.50	8.2	22.24, 0.00, 6.98	22.0	0.37
	13-29	17	136	15.3	7.77	1.00	3.26	4.8	33.82, 2.21, 0.00	15.3	0.56
	30-38	9	65	25.1	7.48	1.00	3.87	19.9	0.00, 52.09, 0.00	25.1	0.72
	39-49	11	88	14.0	6.59	1.00	3.11	5.9	30.26, 0.00, 11.76	14.0	0.62
	50-62	13	95	18.1	6.87	1.00	3.08	8.9	29.47, 5.00, 0.00	18.1	0.65
	63-92	30	222	15.5	7.99	1.00	3.19	5.8	0.00, 6.16, 13.68	15.5	0.56
	93-104	12	98	23.5	9.31	1.00	3.90	9.8	25.53, 0.00, 12.58	23.5	0.65
	105-126	22	166	12.0	5.70	1.00	3.02	8.1	25.99, 0.00, 0.47	12.0	0.67
	127-132	6	45	22.3	11.09	1.00	3.90	6.3	73.76, 0.00, 3.39	22.3	0.60
	133-166	34	274	13.9	6.39	1.00	3.31	5.8	0.00, 4.69, 8.76	13.9	0.62
	167-176	10	79	17.1	7.76	1.00	3.50	8.3	43.55, 3.55, 0.00	17.1	0.65
	177-190	14	110	13.4	6.57	1.00	3.73	1.9	0.00, 12.27, 17.07	13.4	0.63
	191-201	11	82	18.0	8.81	1.00	3.15	8.4	40.91, 3.04, 7.51	18.0	0.59
	202-210	9	69	14.1	11.13	1.00	4.21	2.8	49.96, 5.89, 0.00	14.1	0.44
	211-229	19	133	17.1	10.74	1.00	5.28	4.8	29.16, 8.39, 0.00	17.1	0.52
	230-258	29	198	14.4	7.93	1.00	4.38	7.6	16.27, 0.00, 3.06	14.4	0.56
	259-280	22	156	20.5	10.23	1.00	3.18	9.1	26.11, 7.67, 0.00	20.5	0.56
	281-297	17	137	21.0	10.57	1.00	4.01	16.6	0.00, 14.50, 0.00	21.0	0.58
	298-304	7	53	20.1	10.00	1.00	2.84	9.1	0.00, 37.92, 31.12	20.1	0.58
	305-309	5	44	51.3	7.98	1.00	5.25	48.4	0.00, 17.55, 0.00	51.3	0.86

26 Mar 2010

JobID: TLSMD7776_QyMEqzgE

TLSMD Version 1.4.1 Released 11 February 2010