1DVJ: Chain C TLS Analysis

26 Mar 2010

JobID: TLSMD7766_HvlAdtJq

TLSMD Version 1.4.1

1DVJ: 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=3.55 and residual=0.48)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-244	236	1806	20.7	6.57	1.00	3.54	10.5	0.29, 3.30, 2.03	20.7	0.73

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=3.16 and residual=0.38)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-165	157	1222	19.3	5.89	1.00	3.18	10.6	0.29, 3.28, 2.26	19.3	0.74
	166-244	79	584	23.6	6.95	1.00	3.39	14.2	7.67, 0.00, 2.85	23.6	0.72

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=2.97 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>
	9-36	28	224	23.5	6.82	1.00	2.31	13.7	11.17, 0.00, 3.31	23.5	0.70
	37-211	175	1349	19.1	5.62	1.00	3.13	10.8	0.08, 3.26, 1.97	19.1	0.76
	212-244	33	233	27.4	6.17	1.00	2.63	21.8	18.02, 0.00, 0.00	27.4	0.81

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=2.75 and residual=0.29)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-52	44	348	21.6	6.59	1.00	2.28	13.2	8.44, 0.00, 2.54	21.6	0.68
	53-124	72	567	18.4	5.78	1.00	2.86	11.5	6.92, 0.00, 2.59	18.4	0.72
	125-218	94	695	20.1	5.59	1.00	3.00	12.7	0.00, 2.67, 3.79	20.1	0.77
	219-244	26	196	27.9	6.59	1.00	2.56	19.4	16.88, 2.11, 0.00	27.9	0.77

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=2.59 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>
	9-51	43	344	21.6	6.61	1.00	2.28	13.0	8.40, 0.00, 2.67	21.6	0.68
	52-97	46	357	18.5	5.71	1.00	2.38	11.0	9.96, 0.00, 2.84	18.5	0.71
	98-126	29	231	18.3	5.65	1.00	2.87	12.1	0.00, 8.25, 4.73	18.3	0.71
	127-211	85	641	19.9	5.66	1.00	2.99	11.5	0.00, 3.66, 3.09	19.9	0.77
	212-244	33	233	27.4	6.17	1.00	2.63	21.8	18.02, 0.00, 0.00	27.4	0.81

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=2.42 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>
	9-51	43	344	21.6	6.61	1.00	2.28	13.0	8.40, 0.00, 2.67	21.6	0.68
	52-97	46	357	18.5	5.71	1.00	2.38	11.0	9.96, 0.00, 2.84	18.5	0.71
	98-126	29	231	18.3	5.65	1.00	2.87	12.1	0.00, 8.25, 4.73	18.3	0.71
	127-192	66	493	19.7	5.35	1.00	2.79	12.2	0.00, 5.58, 4.08	19.7	0.78
	193-217	25	177	21.5	6.27	1.00	1.53	12.6	4.42, 0.00, 2.00	21.5	0.69
	218-244	27	204	27.7	6.51	1.00	2.59	19.4	17.02, 1.04, 0.00	27.7	0.78

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=2.32 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>
	9-51	43	344	21.6	6.61	1.00	2.28	13.0	8.40, 0.00, 2.67	21.6	0.68
	52-106	55	430	17.8	5.40	1.00	2.54	11.0	7.87, 0.00, 2.60	17.8	0.73
	107-131	25	190	19.4	5.77	1.00	2.82	10.6	9.95, 0.00, 4.48	19.4	0.73
	132-151	20	146	18.5	4.24	1.00	1.87	13.3	17.84, 2.82, 0.00	18.5	0.80
	152-192	41	315	20.5	5.83	1.00	2.63	12.1	7.50, 3.58, 1.80	20.5	0.75
	193-217	25	177	21.5	6.27	1.00	1.53	12.6	4.42, 0.00, 2.00	21.5	0.69
	218-244	27	204	27.7	6.51	1.00	2.59	19.4	17.02, 1.04, 0.00	27.7	0.78

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=2.21 and residual=0.18)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-52	44	348	21.6	6.59	1.00	2.28	13.2	8.44, 0.00, 2.54	21.6	0.68
	53-102	50	400	18.0	5.54	1.00	2.44	10.7	8.70, 0.00, 2.34	18.0	0.72
	103-119	17	126	20.7	6.51	1.00	2.16	13.8	29.33, 0.00, 3.14	20.7	0.70
	120-131	12	90	16.3	2.18	1.00	1.32	14.5	14.34, 0.38, 0.00	16.3	0.88
	132-151	20	146	18.5	4.24	1.00	1.87	13.3	17.84, 2.82, 0.00	18.5	0.80
	152-192	41	315	20.5	5.83	1.00	2.63	12.1	7.50, 3.58, 1.80	20.5	0.75
	193-217	25	177	21.5	6.27	1.00	1.53	12.6	4.42, 0.00, 2.00	21.5	0.69
	218-244	27	204	27.7	6.51	1.00	2.59	19.4	17.02, 1.04, 0.00	27.7	0.78

Summary of Optimal TLS Group Partition using 9 Groups
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Analysis of TLS Group 9 Chain Segments (overall rmsd_b=2.10 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>
	9-37	29	236	23.7	6.71	1.00	2.26	13.7	10.95, 0.00, 3.23	23.7	0.71
	38-61	24	189	18.8	4.13	1.00	1.47	13.0	7.27, 0.00, 2.79	18.8	0.76
	62-102	41	323	17.3	5.59	1.00	2.39	10.7	9.82, 0.00, 2.03	17.3	0.71
	103-119	17	126	20.7	6.51	1.00	2.16	13.8	29.33, 0.00, 3.14	20.7	0.70
	120-131	12	90	16.3	2.18	1.00	1.32	14.5	14.34, 0.38, 0.00	16.3	0.88
	132-151	20	146	18.5	4.24	1.00	1.87	13.3	17.84, 2.82, 0.00	18.5	0.80
	152-192	41	315	20.5	5.83	1.00	2.63	12.1	7.50, 3.58, 1.80	20.5	0.75
	193-217	25	177	21.5	6.27	1.00	1.53	12.6	4.42, 0.00, 2.00	21.5	0.69
	218-244	27	204	27.7	6.51	1.00	2.59	19.4	17.02, 1.04, 0.00	27.7	0.78

Summary of Optimal TLS Group Partition using 10 Groups
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Analysis of TLS Group 10 Chain Segments (overall rmsd_b=2.01 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>
	9-37	29	236	23.7	6.71	1.00	2.26	13.7	10.95, 0.00, 3.23	23.7	0.71
	38-61	24	189	18.8	4.13	1.00	1.47	13.0	7.27, 0.00, 2.79	18.8	0.76
	62-102	41	323	17.3	5.59	1.00	2.39	10.7	9.82, 0.00, 2.03	17.3	0.71
	103-119	17	126	20.7	6.51	1.00	2.16	13.8	29.33, 0.00, 3.14	20.7	0.70
	120-131	12	90	16.3	2.18	1.00	1.32	14.5	14.34, 0.38, 0.00	16.3	0.88
	132-151	20	146	18.5	4.24	1.00	1.87	13.3	17.84, 2.82, 0.00	18.5	0.80
	152-192	41	315	20.5	5.83	1.00	2.63	12.1	7.50, 3.58, 1.80	20.5	0.75
	193-217	25	177	21.5	6.27	1.00	1.53	12.6	4.42, 0.00, 2.00	21.5	0.69
	218-229	12	96	30.2	5.14	1.00	1.84	27.1	23.39, 0.00, 0.00	30.2	0.83
	230-244	15	108	25.5	6.79	1.00	1.96	17.3	19.19, 0.70, 4.93	25.5	0.73

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=1.93 and residual=0.14)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	9-37	29	236	23.7	6.71	1.00	2.26	13.7	10.95, 0.00, 3.23	23.7	0.71
	38-61	24	189	18.8	4.13	1.00	1.47	13.0	7.27, 0.00, 2.79	18.8	0.76
	62-102	41	323	17.3	5.59	1.00	2.39	10.7	9.82, 0.00, 2.03	17.3	0.71
	103-119	17	126	20.7	6.51	1.00	2.16	13.8	29.33, 0.00, 3.14	20.7	0.70
	120-131	12	90	16.3	2.18	1.00	1.32	14.5	14.34, 0.38, 0.00	16.3	0.88
	132-151	20	146	18.5	4.24	1.00	1.87	13.3	17.84, 2.82, 0.00	18.5	0.80
	152-164	13	106	18.8	5.25	1.00	1.73	12.5	14.43, 0.00, 6.21	18.8	0.72
	165-174	10	82	21.1	5.84	1.00	2.02	15.0	0.00, 16.02, 16.55	21.1	0.76
	175-200	26	191	20.1	5.55	1.00	2.12	16.0	13.29, 0.00, 0.00	20.1	0.72
	201-225	25	177	26.5	6.78	1.00	2.02	13.3	0.00, 6.58, 5.13	26.5	0.71
	226-244	19	140	26.2	6.63	1.00	2.06	17.6	0.00, 13.30, 10.35	26.2	0.75

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=1.83 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>
	9-37	29	236	23.7	6.71	1.00	2.26	13.7	10.95, 0.00, 3.23	23.7	0.71
	38-61	24	189	18.8	4.13	1.00	1.47	13.0	7.27, 0.00, 2.79	18.8	0.76
	62-102	41	323	17.3	5.59	1.00	2.39	10.7	9.82, 0.00, 2.03	17.3	0.71
	103-119	17	126	20.7	6.51	1.00	2.16	13.8	29.33, 0.00, 3.14	20.7	0.70
	120-131	12	90	16.3	2.18	1.00	1.32	14.5	14.34, 0.38, 0.00	16.3	0.88
	132-151	20	146	18.5	4.24	1.00	1.87	13.3	17.84, 2.82, 0.00	18.5	0.80
	152-164	13	106	18.8	5.25	1.00	1.73	12.5	14.43, 0.00, 6.21	18.8	0.72
	165-174	10	82	21.1	5.84	1.00	2.02	15.0	0.00, 16.02, 16.55	21.1	0.76
	175-192	18	127	21.6	5.98	1.00	1.97	14.0	12.75, 0.00, 2.90	21.6	0.71
	193-217	25	177	21.5	6.27	1.00	1.53	12.6	4.42, 0.00, 2.00	21.5	0.69
	218-229	12	96	30.2	5.14	1.00	1.84	27.1	23.39, 0.00, 0.00	30.2	0.83
	230-244	15	108	25.5	6.79	1.00	1.96	17.3	19.19, 0.70, 4.93	25.5	0.73

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=1.76 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>
	9-37	29	236	23.7	6.71	1.00	2.26	13.7	10.95, 0.00, 3.23	23.7	0.71
	38-60	23	180	18.4	3.63	1.00	1.46	13.2	6.68, 0.00, 2.62	18.4	0.79
	61-89	29	235	18.4	6.51	1.00	2.22	10.8	12.69, 0.00, 2.55	18.4	0.67
	90-106	17	123	15.3	2.13	1.00	1.34	13.0	2.42, 0.00, 0.77	15.3	0.88
	107-119	13	100	22.2	6.53	1.00	1.90	14.4	27.92, 0.00, 6.53	22.2	0.72
	120-131	12	90	16.3	2.18	1.00	1.32	14.5	14.34, 0.38, 0.00	16.3	0.88
	132-151	20	146	18.5	4.24	1.00	1.87	13.3	17.84, 2.82, 0.00	18.5	0.80
	152-164	13	106	18.8	5.25	1.00	1.73	12.5	14.43, 0.00, 6.21	18.8	0.72
	165-174	10	82	21.1	5.84	1.00	2.02	15.0	0.00, 16.02, 16.55	21.1	0.76
	175-192	18	127	21.6	5.98	1.00	1.97	14.0	12.75, 0.00, 2.90	21.6	0.71
	193-217	25	177	21.5	6.27	1.00	1.53	12.6	4.42, 0.00, 2.00	21.5	0.69
	218-229	12	96	30.2	5.14	1.00	1.84	27.1	23.39, 0.00, 0.00	30.2	0.83
	230-244	15	108	25.5	6.79	1.00	1.96	17.3	19.19, 0.70, 4.93	25.5	0.73

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=1.67 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>
	9-37	29	236	23.7	6.71	1.00	2.26	13.7	10.95, 0.00, 3.23	23.7	0.71
	38-59	22	169	18.2	3.66	1.00	1.43	13.4	6.97, 0.00, 1.93	18.2	0.79
	60-77	18	147	18.4	6.17	1.00	1.49	11.8	8.58, 0.00, 2.31	18.4	0.68
	78-93	16	121	18.7	6.17	1.00	1.94	13.4	26.30, 0.00, 3.84	18.7	0.69
	94-106	13	101	14.6	1.31	1.00	1.05	14.3	0.00, 1.06, 0.00	14.6	0.93
	107-119	13	100	22.2	6.53	1.00	1.90	14.4	27.92, 0.00, 6.53	22.2	0.72
	120-131	12	90	16.3	2.18	1.00	1.32	14.5	14.34, 0.38, 0.00	16.3	0.88
	132-151	20	146	18.5	4.24	1.00	1.87	13.3	17.84, 2.82, 0.00	18.5	0.80
	152-164	13	106	18.8	5.25	1.00	1.73	12.5	14.43, 0.00, 6.21	18.8	0.72
	165-174	10	82	21.1	5.84	1.00	2.02	15.0	0.00, 16.02, 16.55	21.1	0.76
	175-192	18	127	21.6	5.98	1.00	1.97	14.0	12.75, 0.00, 2.90	21.6	0.71
	193-217	25	177	21.5	6.27	1.00	1.53	12.6	4.42, 0.00, 2.00	21.5	0.69
	218-229	12	96	30.2	5.14	1.00	1.84	27.1	23.39, 0.00, 0.00	30.2	0.83
	230-244	15	108	25.5	6.79	1.00	1.96	17.3	19.19, 0.70, 4.93	25.5	0.73

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=1.62 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>
	9-37	29	236	23.7	6.71	1.00	2.26	13.7	10.95, 0.00, 3.23	23.7	0.71
	38-59	22	169	18.2	3.66	1.00	1.43	13.4	6.97, 0.00, 1.93	18.2	0.79
	60-77	18	147	18.4	6.17	1.00	1.49	11.8	8.58, 0.00, 2.31	18.4	0.68
	78-93	16	121	18.7	6.17	1.00	1.94	13.4	26.30, 0.00, 3.84	18.7	0.69
	94-106	13	101	14.6	1.31	1.00	1.05	14.3	0.00, 1.06, 0.00	14.6	0.93
	107-119	13	100	22.2	6.53	1.00	1.90	14.4	27.92, 0.00, 6.53	22.2	0.72
	120-131	12	90	16.3	2.18	1.00	1.32	14.5	14.34, 0.38, 0.00	16.3	0.88
	132-151	20	146	18.5	4.24	1.00	1.87	13.3	17.84, 2.82, 0.00	18.5	0.80
	152-160	9	71	17.0	4.37	1.00	1.52	11.8	17.72, 0.00, 4.81	17.0	0.76
	161-169	9	80	22.3	6.08	1.00	1.96	18.2	28.76, 0.00, 0.00	22.3	0.75
	170-189	20	144	20.5	5.29	1.00	1.77	14.2	10.40, 1.66, 0.00	20.5	0.75
	190-205	16	120	18.8	4.69	1.00	1.61	16.3	0.00, 15.65, 0.00	18.8	0.74
	206-218	13	85	26.4	5.41	1.00	0.92	24.0	0.00, 11.77, 0.00	26.4	0.76
	219-229	11	88	30.9	4.93	1.00	1.74	27.7	23.71, 0.00, 0.00	30.9	0.84
	230-244	15	108	25.5	6.79	1.00	1.96	17.3	19.19, 0.70, 4.93	25.5	0.73

Summary of Optimal TLS Group Partition using 16 Groups
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Analysis of TLS Group 16 Chain Segments (overall rmsd_b=1.58 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>
	9-23	15	119	19.4	4.93	1.00	2.01	14.3	13.42, 0.00, 3.05	19.4	0.76
	24-37	14	117	28.0	5.41	1.00	1.85	21.9	25.47, 2.71, 0.00	28.0	0.81
	38-59	22	169	18.2	3.66	1.00	1.43	13.4	6.97, 0.00, 1.93	18.2	0.79
	60-77	18	147	18.4	6.17	1.00	1.49	11.8	8.58, 0.00, 2.31	18.4	0.68
	78-93	16	121	18.7	6.17	1.00	1.94	13.4	26.30, 0.00, 3.84	18.7	0.69
	94-106	13	101	14.6	1.31	1.00	1.05	14.3	0.00, 1.06, 0.00	14.6	0.93
	107-119	13	100	22.2	6.53	1.00	1.90	14.4	27.92, 0.00, 6.53	22.2	0.72
	120-131	12	90	16.3	2.18	1.00	1.32	14.5	14.34, 0.38, 0.00	16.3	0.88
	132-151	20	146	18.5	4.24	1.00	1.87	13.3	17.84, 2.82, 0.00	18.5	0.80
	152-160	9	71	17.0	4.37	1.00	1.52	11.8	17.72, 0.00, 4.81	17.0	0.76
	161-169	9	80	22.3	6.08	1.00	1.96	18.2	28.76, 0.00, 0.00	22.3	0.75
	170-189	20	144	20.5	5.29	1.00	1.77	14.2	10.40, 1.66, 0.00	20.5	0.75
	190-205	16	120	18.8	4.69	1.00	1.61	16.3	0.00, 15.65, 0.00	18.8	0.74
	206-218	13	85	26.4	5.41	1.00	0.92	24.0	0.00, 11.77, 0.00	26.4	0.76
	219-229	11	88	30.9	4.93	1.00	1.74	27.7	23.71, 0.00, 0.00	30.9	0.84
	230-244	15	108	25.5	6.79	1.00	1.96	17.3	19.19, 0.70, 4.93	25.5	0.73

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=1.53 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>
	9-14	6	50	21.1	4.82	1.00	2.03	16.4	21.15, 0.00, 8.58	21.1	0.78
	15-23	9	69	18.2	4.63	1.00	1.15	13.9	19.70, 0.00, 3.81	18.2	0.76
	24-37	14	117	28.0	5.41	1.00	1.85	21.9	25.47, 2.71, 0.00	28.0	0.81
	38-59	22	169	18.2	3.66	1.00	1.43	13.4	6.97, 0.00, 1.93	18.2	0.79
	60-77	18	147	18.4	6.17	1.00	1.49	11.8	8.58, 0.00, 2.31	18.4	0.68
	78-93	16	121	18.7	6.17	1.00	1.94	13.4	26.30, 0.00, 3.84	18.7	0.69
	94-106	13	101	14.6	1.31	1.00	1.05	14.3	0.00, 1.06, 0.00	14.6	0.93
	107-119	13	100	22.2	6.53	1.00	1.90	14.4	27.92, 0.00, 6.53	22.2	0.72
	120-131	12	90	16.3	2.18	1.00	1.32	14.5	14.34, 0.38, 0.00	16.3	0.88
	132-151	20	146	18.5	4.24	1.00	1.87	13.3	17.84, 2.82, 0.00	18.5	0.80
	152-160	9	71	17.0	4.37	1.00	1.52	11.8	17.72, 0.00, 4.81	17.0	0.76
	161-169	9	80	22.3	6.08	1.00	1.96	18.2	28.76, 0.00, 0.00	22.3	0.75
	170-189	20	144	20.5	5.29	1.00	1.77	14.2	10.40, 1.66, 0.00	20.5	0.75
	190-205	16	120	18.8	4.69	1.00	1.61	16.3	0.00, 15.65, 0.00	18.8	0.74
	206-218	13	85	26.4	5.41	1.00	0.92	24.0	0.00, 11.77, 0.00	26.4	0.76
	219-229	11	88	30.9	4.93	1.00	1.74	27.7	23.71, 0.00, 0.00	30.9	0.84
	230-244	15	108	25.5	6.79	1.00	1.96	17.3	19.19, 0.70, 4.93	25.5	0.73

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=1.48 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>
	9-14	6	50	21.1	4.82	1.00	2.03	16.4	21.15, 0.00, 8.58	21.1	0.78
	15-23	9	69	18.2	4.63	1.00	1.15	13.9	19.70, 0.00, 3.81	18.2	0.76
	24-37	14	117	28.0	5.41	1.00	1.85	21.9	25.47, 2.71, 0.00	28.0	0.81
	38-59	22	169	18.2	3.66	1.00	1.43	13.4	6.97, 0.00, 1.93	18.2	0.79
	60-77	18	147	18.4	6.17	1.00	1.49	11.8	8.58, 0.00, 2.31	18.4	0.68
	78-93	16	121	18.7	6.17	1.00	1.94	13.4	26.30, 0.00, 3.84	18.7	0.69
	94-106	13	101	14.6	1.31	1.00	1.05	14.3	0.00, 1.06, 0.00	14.6	0.93
	107-119	13	100	22.2	6.53	1.00	1.90	14.4	27.92, 0.00, 6.53	22.2	0.72
	120-130	11	85	16.3	2.24	1.00	1.30	14.5	14.61, 0.28, 0.00	16.3	0.88
	131-136	6	50	19.4	5.10	1.00	1.36	14.6	0.00, 27.55, 14.37	19.4	0.77
	137-150	14	94	18.0	3.67	1.00	1.35	14.3	27.43, 3.77, 0.00	18.0	0.81
	151-160	10	78	17.0	4.17	1.00	1.56	11.9	18.14, 0.00, 4.36	17.0	0.76
	161-169	9	80	22.3	6.08	1.00	1.96	18.2	28.76, 0.00, 0.00	22.3	0.75
	170-189	20	144	20.5	5.29	1.00	1.77	14.2	10.40, 1.66, 0.00	20.5	0.75
	190-205	16	120	18.8	4.69	1.00	1.61	16.3	0.00, 15.65, 0.00	18.8	0.74
	206-218	13	85	26.4	5.41	1.00	0.92	24.0	0.00, 11.77, 0.00	26.4	0.76
	219-229	11	88	30.9	4.93	1.00	1.74	27.7	23.71, 0.00, 0.00	30.9	0.84
	230-244	15	108	25.5	6.79	1.00	1.96	17.3	19.19, 0.70, 4.93	25.5	0.73

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=1.44 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>
	9-14	6	50	21.1	4.82	1.00	2.03	16.4	21.15, 0.00, 8.58	21.1	0.78
	15-23	9	69	18.2	4.63	1.00	1.15	13.9	19.70, 0.00, 3.81	18.2	0.76
	24-37	14	117	28.0	5.41	1.00	1.85	21.9	25.47, 2.71, 0.00	28.0	0.81
	38-59	22	169	18.2	3.66	1.00	1.43	13.4	6.97, 0.00, 1.93	18.2	0.79
	60-77	18	147	18.4	6.17	1.00	1.49	11.8	8.58, 0.00, 2.31	18.4	0.68
	78-93	16	121	18.7	6.17	1.00	1.94	13.4	26.30, 0.00, 3.84	18.7	0.69
	94-104	11	88	14.6	1.37	1.00	1.09	14.3	0.00, 0.88, 0.00	14.6	0.92
	105-113	9	63	18.9	5.59	1.00	1.14	14.4	30.28, 0.00, 6.20	18.9	0.72
	114-119	6	50	24.3	6.56	1.00	1.13	13.8	28.31, 0.00, 12.36	24.3	0.74
	120-130	11	85	16.3	2.24	1.00	1.30	14.5	14.61, 0.28, 0.00	16.3	0.88
	131-136	6	50	19.4	5.10	1.00	1.36	14.6	0.00, 27.55, 14.37	19.4	0.77
	137-150	14	94	18.0	3.67	1.00	1.35	14.3	27.43, 3.77, 0.00	18.0	0.81
	151-160	10	78	17.0	4.17	1.00	1.56	11.9	18.14, 0.00, 4.36	17.0	0.76
	161-169	9	80	22.3	6.08	1.00	1.96	18.2	28.76, 0.00, 0.00	22.3	0.75
	170-189	20	144	20.5	5.29	1.00	1.77	14.2	10.40, 1.66, 0.00	20.5	0.75
	190-205	16	120	18.8	4.69	1.00	1.61	16.3	0.00, 15.65, 0.00	18.8	0.74
	206-218	13	85	26.4	5.41	1.00	0.92	24.0	0.00, 11.77, 0.00	26.4	0.76
	219-229	11	88	30.9	4.93	1.00	1.74	27.7	23.71, 0.00, 0.00	30.9	0.84
	230-244	15	108	25.5	6.79	1.00	1.96	17.3	19.19, 0.70, 4.93	25.5	0.73

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=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>
	9-14	6	50	21.1	4.82	1.00	2.03	16.4	21.15, 0.00, 8.58	21.1	0.78
	15-23	9	69	18.2	4.63	1.00	1.15	13.9	19.70, 0.00, 3.81	18.2	0.76
	24-33	10	78	27.4	5.21	1.00	1.57	22.1	25.15, 8.10, 0.00	27.4	0.80
	34-46	13	109	20.8	7.45	1.00	1.53	15.1	10.42, 1.87, 0.00	20.8	0.65
	47-62	16	130	21.3	5.10	1.00	1.36	16.6	15.49, 3.24, 0.00	21.3	0.75
	63-77	15	116	16.3	4.01	1.00	1.29	11.8	6.68, 1.85, 0.46	16.3	0.77
	78-93	16	121	18.7	6.17	1.00	1.94	13.4	26.30, 0.00, 3.84	18.7	0.69
	94-104	11	88	14.6	1.37	1.00	1.09	14.3	0.00, 0.88, 0.00	14.6	0.92
	105-113	9	63	18.9	5.59	1.00	1.14	14.4	30.28, 0.00, 6.20	18.9	0.72
	114-119	6	50	24.3	6.56	1.00	1.13	13.8	28.31, 0.00, 12.36	24.3	0.74
	120-130	11	85	16.3	2.24	1.00	1.30	14.5	14.61, 0.28, 0.00	16.3	0.88
	131-136	6	50	19.4	5.10	1.00	1.36	14.6	0.00, 27.55, 14.37	19.4	0.77
	137-150	14	94	18.0	3.67	1.00	1.35	14.3	27.43, 3.77, 0.00	18.0	0.81
	151-160	10	78	17.0	4.17	1.00	1.56	11.9	18.14, 0.00, 4.36	17.0	0.76
	161-169	9	80	22.3	6.08	1.00	1.96	18.2	28.76, 0.00, 0.00	22.3	0.75
	170-189	20	144	20.5	5.29	1.00	1.77	14.2	10.40, 1.66, 0.00	20.5	0.75
	190-205	16	120	18.8	4.69	1.00	1.61	16.3	0.00, 15.65, 0.00	18.8	0.74
	206-218	13	85	26.4	5.41	1.00	0.92	24.0	0.00, 11.77, 0.00	26.4	0.76
	219-229	11	88	30.9	4.93	1.00	1.74	27.7	23.71, 0.00, 0.00	30.9	0.84
	230-244	15	108	25.5	6.79	1.00	1.96	17.3	19.19, 0.70, 4.93	25.5	0.73

26 Mar 2010

JobID: TLSMD7766_HvlAdtJq

TLSMD Version 1.4.1 Released 11 February 2010