1DV7: Chain A TLS Analysis

26 Mar 2010

JobID: TLSMD7767_ubOwTrFF

TLSMD Version 1.4.1

1DV7: 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=4.99 and residual=0.85)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-222	212	1624	19.3	8.55	1.00	5.01	10.5	0.00, 1.86, 4.11	19.3	0.67

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=4.07 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>
	2-153	152	1171	16.6	6.06	1.00	4.02	9.2	0.46, 3.52, 1.74	16.6	0.73
	154-222	60	453	26.2	10.02	1.00	4.67	21.4	0.00, 11.12, 0.00	26.2	0.66

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=3.79 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>
	2-118	117	909	16.6	6.04	1.00	3.47	8.4	0.00, 2.70, 5.15	16.6	0.71
	119-158	40	298	17.3	7.59	1.00	4.72	9.3	0.00, 3.92, 13.84	17.3	0.67
	159-222	55	417	26.6	9.63	1.00	4.27	14.7	11.68, 0.01, 0.00	26.6	0.67

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=3.52 and residual=0.42)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-100	99	781	17.1	6.19	1.00	3.53	8.8	0.00, 3.12, 4.78	17.1	0.71
	101-135	35	263	15.1	5.03	1.00	3.43	7.6	0.00, 6.21, 3.89	15.1	0.75
	136-158	23	163	18.1	8.85	1.00	3.41	7.7	18.63, 0.00, 8.40	18.1	0.59
	159-222	55	417	26.6	9.63	1.00	4.27	14.7	11.68, 0.01, 0.00	26.6	0.67

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=3.28 and residual=0.37)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-100	99	781	17.1	6.19	1.00	3.53	8.8	0.00, 3.12, 4.78	17.1	0.71
	101-136	36	272	15.5	5.38	1.00	3.55	7.5	0.00, 6.31, 3.89	15.5	0.74
	137-155	19	137	15.5	6.15	1.00	2.94	7.5	0.00, 15.97, 9.34	15.5	0.66
	156-198	34	266	25.0	10.13	1.00	3.70	12.3	13.33, 2.77, 0.00	25.0	0.63
	199-222	24	168	29.9	8.11	1.00	3.05	14.2	13.68, 3.51, 0.00	29.9	0.72

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=3.06 and residual=0.32)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-99	98	770	17.0	6.13	1.00	3.34	8.8	0.00, 2.83, 4.69	17.0	0.70
	100-119	20	148	14.9	5.48	1.00	2.54	8.3	26.12, 0.00, 2.75	14.9	0.71
	120-138	19	144	16.7	5.57	1.00	3.49	14.2	8.34, 0.00, 0.45	16.7	0.72
	139-155	17	128	15.3	6.29	1.00	3.01	7.6	0.00, 15.90, 10.44	15.3	0.66
	156-198	34	266	25.0	10.13	1.00	3.70	12.3	13.33, 2.77, 0.00	25.0	0.63
	199-222	24	168	29.9	8.11	1.00	3.05	14.2	13.68, 3.51, 0.00	29.9	0.72

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=2.80 and residual=0.27)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-43	42	338	20.3	5.67	1.00	2.67	11.9	9.12, 0.84, 2.50	20.3	0.74
	44-99	56	432	14.4	5.12	1.00	2.95	8.4	0.00, 2.88, 5.94	14.4	0.70
	100-119	20	148	14.9	5.48	1.00	2.54	8.3	26.12, 0.00, 2.75	14.9	0.71
	120-138	19	144	16.7	5.57	1.00	3.49	14.2	8.34, 0.00, 0.45	16.7	0.72
	139-155	17	128	15.3	6.29	1.00	3.01	7.6	0.00, 15.90, 10.44	15.3	0.66
	156-198	34	266	25.0	10.13	1.00	3.70	12.3	13.33, 2.77, 0.00	25.0	0.63
	199-222	24	168	29.9	8.11	1.00	3.05	14.2	13.68, 3.51, 0.00	29.9	0.72

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=2.58 and residual=0.23)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-43	42	338	20.3	5.67	1.00	2.67	11.9	9.12, 0.84, 2.50	20.3	0.74
	44-99	56	432	14.4	5.12	1.00	2.95	8.4	0.00, 2.88, 5.94	14.4	0.70
	100-119	20	148	14.9	5.48	1.00	2.54	8.3	26.12, 0.00, 2.75	14.9	0.71
	120-138	19	144	16.7	5.57	1.00	3.49	14.2	8.34, 0.00, 0.45	16.7	0.72
	139-155	17	128	15.3	6.29	1.00	3.01	7.6	0.00, 15.90, 10.44	15.3	0.66
	156-167	12	95	30.9	10.24	1.00	3.79	29.0	7.99, 0.00, 0.00	30.9	0.68
	168-198	22	171	21.7	8.43	1.00	2.07	9.4	0.00, 6.44, 10.95	21.7	0.63
	199-222	24	168	29.9	8.11	1.00	3.05	14.2	13.68, 3.51, 0.00	29.9	0.72

Summary of Optimal TLS Group Partition using 9 Groups
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Analysis of TLS Group 9 Chain Segments (overall rmsd_b=2.43 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>
	2-37	36	291	21.3	5.29	1.00	2.54	12.3	9.13, 1.32, 2.06	21.3	0.77
	38-61	24	189	14.9	3.81	1.00	2.42	11.2	7.29, 1.24, 0.00	14.9	0.79
	62-99	38	290	14.0	5.63	1.00	2.56	7.7	1.96, 0.00, 11.99	14.0	0.67
	100-119	20	148	14.9	5.48	1.00	2.54	8.3	26.12, 0.00, 2.75	14.9	0.71
	120-138	19	144	16.7	5.57	1.00	3.49	14.2	8.34, 0.00, 0.45	16.7	0.72
	139-155	17	128	15.3	6.29	1.00	3.01	7.6	0.00, 15.90, 10.44	15.3	0.66
	156-167	12	95	30.9	10.24	1.00	3.79	29.0	7.99, 0.00, 0.00	30.9	0.68
	168-198	22	171	21.7	8.43	1.00	2.07	9.4	0.00, 6.44, 10.95	21.7	0.63
	199-222	24	168	29.9	8.11	1.00	3.05	14.2	13.68, 3.51, 0.00	29.9	0.72

Summary of Optimal TLS Group Partition using 10 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 10 Chain Segments (overall rmsd_b=2.28 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>
	2-37	36	291	21.3	5.29	1.00	2.54	12.3	9.13, 1.32, 2.06	21.3	0.77
	38-61	24	189	14.9	3.81	1.00	2.42	11.2	7.29, 1.24, 0.00	14.9	0.79
	62-99	38	290	14.0	5.63	1.00	2.56	7.7	1.96, 0.00, 11.99	14.0	0.67
	100-119	20	148	14.9	5.48	1.00	2.54	8.3	26.12, 0.00, 2.75	14.9	0.71
	120-138	19	144	16.7	5.57	1.00	3.49	14.2	8.34, 0.00, 0.45	16.7	0.72
	139-155	17	128	15.3	6.29	1.00	3.01	7.6	0.00, 15.90, 10.44	15.3	0.66
	156-167	12	95	30.9	10.24	1.00	3.79	29.0	7.99, 0.00, 0.00	30.9	0.68
	168-196	20	158	22.2	8.58	1.00	2.01	8.0	10.21, 6.70, 0.00	22.2	0.62
	197-207	11	85	22.7	6.74	1.00	1.65	13.8	34.21, 4.88, 0.00	22.7	0.72
	208-222	15	96	34.4	5.96	1.00	1.69	27.5	19.38, 0.00, 8.00	34.4	0.82

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=2.19 and residual=0.16)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-37	36	291	21.3	5.29	1.00	2.54	12.3	9.13, 1.32, 2.06	21.3	0.77
	38-61	24	189	14.9	3.81	1.00	2.42	11.2	7.29, 1.24, 0.00	14.9	0.79
	62-99	38	290	14.0	5.63	1.00	2.56	7.7	1.96, 0.00, 11.99	14.0	0.67
	100-119	20	148	14.9	5.48	1.00	2.54	8.3	26.12, 0.00, 2.75	14.9	0.71
	120-135	16	126	16.0	5.17	1.00	3.03	13.1	0.00, 15.85, 0.00	16.0	0.73
	136-146	11	76	17.8	7.44	1.00	1.85	10.1	27.85, 0.00, 7.44	17.8	0.65
	147-156	10	74	14.7	5.17	1.00	1.68	7.3	35.28, 5.01, 0.00	14.7	0.68
	157-167	11	91	31.2	10.30	1.00	3.54	-0.2	0.00, 4.45, 10.54	31.2	0.68
	168-196	20	158	22.2	8.58	1.00	2.01	8.0	10.21, 6.70, 0.00	22.2	0.62
	197-207	11	85	22.7	6.74	1.00	1.65	13.8	34.21, 4.88, 0.00	22.7	0.72
	208-222	15	96	34.4	5.96	1.00	1.69	27.5	19.38, 0.00, 8.00	34.4	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=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>
	2-37	36	291	21.3	5.29	1.00	2.54	12.3	9.13, 1.32, 2.06	21.3	0.77
	38-60	23	180	14.5	3.25	1.00	2.43	11.5	6.51, 1.18, 0.00	14.5	0.83
	61-77	17	136	14.4	5.84	1.00	1.70	8.9	12.22, 0.00, 1.82	14.4	0.68
	78-99	22	163	14.1	5.80	1.00	2.34	7.3	14.02, 1.89, 0.00	14.1	0.64
	100-119	20	148	14.9	5.48	1.00	2.54	8.3	26.12, 0.00, 2.75	14.9	0.71
	120-135	16	126	16.0	5.17	1.00	3.03	13.1	0.00, 15.85, 0.00	16.0	0.73
	136-146	11	76	17.8	7.44	1.00	1.85	10.1	27.85, 0.00, 7.44	17.8	0.65
	147-156	10	74	14.7	5.17	1.00	1.68	7.3	35.28, 5.01, 0.00	14.7	0.68
	157-167	11	91	31.2	10.30	1.00	3.54	-0.2	0.00, 4.45, 10.54	31.2	0.68
	168-196	20	158	22.2	8.58	1.00	2.01	8.0	10.21, 6.70, 0.00	22.2	0.62
	197-207	11	85	22.7	6.74	1.00	1.65	13.8	34.21, 4.88, 0.00	22.7	0.72
	208-222	15	96	34.4	5.96	1.00	1.69	27.5	19.38, 0.00, 8.00	34.4	0.82

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=2.03 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>
	2-9	8	63	24.9	4.67	1.00	1.83	22.6	16.82, 0.00, 0.00	24.9	0.81
	10-35	26	207	19.8	4.68	1.00	2.25	12.1	0.00, 10.10, 5.31	19.8	0.78
	36-60	25	201	15.7	4.89	1.00	2.39	12.2	6.31, 1.10, 0.00	15.7	0.75
	61-77	17	136	14.4	5.84	1.00	1.70	8.9	12.22, 0.00, 1.82	14.4	0.68
	78-99	22	163	14.1	5.80	1.00	2.34	7.3	14.02, 1.89, 0.00	14.1	0.64
	100-119	20	148	14.9	5.48	1.00	2.54	8.3	26.12, 0.00, 2.75	14.9	0.71
	120-135	16	126	16.0	5.17	1.00	3.03	13.1	0.00, 15.85, 0.00	16.0	0.73
	136-146	11	76	17.8	7.44	1.00	1.85	10.1	27.85, 0.00, 7.44	17.8	0.65
	147-156	10	74	14.7	5.17	1.00	1.68	7.3	35.28, 5.01, 0.00	14.7	0.68
	157-167	11	91	31.2	10.30	1.00	3.54	-0.2	0.00, 4.45, 10.54	31.2	0.68
	168-196	20	158	22.2	8.58	1.00	2.01	8.0	10.21, 6.70, 0.00	22.2	0.62
	197-207	11	85	22.7	6.74	1.00	1.65	13.8	34.21, 4.88, 0.00	22.7	0.72
	208-222	15	96	34.4	5.96	1.00	1.69	27.5	19.38, 0.00, 8.00	34.4	0.82

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=1.95 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>
	2-9	8	63	24.9	4.67	1.00	1.83	22.6	16.82, 0.00, 0.00	24.9	0.81
	10-18	9	71	18.7	6.00	1.00	1.55	10.0	0.00, 10.69, 5.80	18.7	0.71
	19-35	17	136	20.3	3.70	1.00	1.62	15.0	0.00, 7.78, 9.19	20.3	0.83
	36-60	25	201	15.7	4.89	1.00	2.39	12.2	6.31, 1.10, 0.00	15.7	0.75
	61-77	17	136	14.4	5.84	1.00	1.70	8.9	12.22, 0.00, 1.82	14.4	0.68
	78-99	22	163	14.1	5.80	1.00	2.34	7.3	14.02, 1.89, 0.00	14.1	0.64
	100-119	20	148	14.9	5.48	1.00	2.54	8.3	26.12, 0.00, 2.75	14.9	0.71
	120-135	16	126	16.0	5.17	1.00	3.03	13.1	0.00, 15.85, 0.00	16.0	0.73
	136-146	11	76	17.8	7.44	1.00	1.85	10.1	27.85, 0.00, 7.44	17.8	0.65
	147-156	10	74	14.7	5.17	1.00	1.68	7.3	35.28, 5.01, 0.00	14.7	0.68
	157-167	11	91	31.2	10.30	1.00	3.54	-0.2	0.00, 4.45, 10.54	31.2	0.68
	168-196	20	158	22.2	8.58	1.00	2.01	8.0	10.21, 6.70, 0.00	22.2	0.62
	197-207	11	85	22.7	6.74	1.00	1.65	13.8	34.21, 4.88, 0.00	22.7	0.72
	208-222	15	96	34.4	5.96	1.00	1.69	27.5	19.38, 0.00, 8.00	34.4	0.82

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=1.88 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>
	2-9	8	63	24.9	4.67	1.00	1.83	22.6	16.82, 0.00, 0.00	24.9	0.81
	10-18	9	71	18.7	6.00	1.00	1.55	10.0	0.00, 10.69, 5.80	18.7	0.71
	19-35	17	136	20.3	3.70	1.00	1.62	15.0	0.00, 7.78, 9.19	20.3	0.83
	36-60	25	201	15.7	4.89	1.00	2.39	12.2	6.31, 1.10, 0.00	15.7	0.75
	61-77	17	136	14.4	5.84	1.00	1.70	8.9	12.22, 0.00, 1.82	14.4	0.68
	78-87	10	79	15.8	6.96	1.00	1.93	11.9	0.00, 32.26, 0.00	15.8	0.61
	88-99	12	84	12.6	3.84	1.00	1.54	10.0	18.07, 0.00, 0.37	12.6	0.75
	100-119	20	148	14.9	5.48	1.00	2.54	8.3	26.12, 0.00, 2.75	14.9	0.71
	120-135	16	126	16.0	5.17	1.00	3.03	13.1	0.00, 15.85, 0.00	16.0	0.73
	136-146	11	76	17.8	7.44	1.00	1.85	10.1	27.85, 0.00, 7.44	17.8	0.65
	147-156	10	74	14.7	5.17	1.00	1.68	7.3	35.28, 5.01, 0.00	14.7	0.68
	157-167	11	91	31.2	10.30	1.00	3.54	-0.2	0.00, 4.45, 10.54	31.2	0.68
	168-196	20	158	22.2	8.58	1.00	2.01	8.0	10.21, 6.70, 0.00	22.2	0.62
	197-207	11	85	22.7	6.74	1.00	1.65	13.8	34.21, 4.88, 0.00	22.7	0.72
	208-222	15	96	34.4	5.96	1.00	1.69	27.5	19.38, 0.00, 8.00	34.4	0.82

Summary of Optimal TLS Group Partition using 16 Groups
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Analysis of TLS Group 16 Chain Segments (overall rmsd_b=1.81 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>
	2-9	8	63	24.9	4.67	1.00	1.83	22.6	16.82, 0.00, 0.00	24.9	0.81
	10-18	9	71	18.7	6.00	1.00	1.55	10.0	0.00, 10.69, 5.80	18.7	0.71
	19-35	17	136	20.3	3.70	1.00	1.62	15.0	0.00, 7.78, 9.19	20.3	0.83
	36-60	25	201	15.7	4.89	1.00	2.39	12.2	6.31, 1.10, 0.00	15.7	0.75
	61-77	17	136	14.4	5.84	1.00	1.70	8.9	12.22, 0.00, 1.82	14.4	0.68
	78-87	10	79	15.8	6.96	1.00	1.93	11.9	0.00, 32.26, 0.00	15.8	0.61
	88-99	12	84	12.6	3.84	1.00	1.54	10.0	18.07, 0.00, 0.37	12.6	0.75
	100-119	20	148	14.9	5.48	1.00	2.54	8.3	26.12, 0.00, 2.75	14.9	0.71
	120-135	16	126	16.0	5.17	1.00	3.03	13.1	0.00, 15.85, 0.00	16.0	0.73
	136-146	11	76	17.8	7.44	1.00	1.85	10.1	27.85, 0.00, 7.44	17.8	0.65
	147-155	9	70	14.3	4.81	1.00	1.72	7.2	36.20, 4.83, 0.00	14.3	0.69
	156-161	6	42	39.2	6.80	1.00	2.52	39.2	0.00, 0.00, 0.00	39.2	0.81
	162-173	12	102	21.4	7.20	1.00	2.73	8.7	26.22, 0.00, 3.24	21.4	0.70
	174-196	14	109	23.9	9.11	1.00	1.63	11.4	13.69, 0.00, 5.94	23.9	0.62
	197-207	11	85	22.7	6.74	1.00	1.65	13.8	34.21, 4.88, 0.00	22.7	0.72
	208-222	15	96	34.4	5.96	1.00	1.69	27.5	19.38, 0.00, 8.00	34.4	0.82

Summary of Optimal TLS Group Partition using 17 Groups
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Analysis of TLS Group 17 Chain Segments (overall rmsd_b=1.75 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>
	2-9	8	63	24.9	4.67	1.00	1.83	22.6	16.82, 0.00, 0.00	24.9	0.81
	10-18	9	71	18.7	6.00	1.00	1.55	10.0	0.00, 10.69, 5.80	18.7	0.71
	19-35	17	136	20.3	3.70	1.00	1.62	15.0	0.00, 7.78, 9.19	20.3	0.83
	36-43	8	68	17.8	6.81	1.00	2.24	6.9	16.06, 0.00, 3.29	17.8	0.66
	44-60	17	133	14.6	3.01	1.00	1.93	10.8	9.47, 1.38, 0.00	14.6	0.82
	61-77	17	136	14.4	5.84	1.00	1.70	8.9	12.22, 0.00, 1.82	14.4	0.68
	78-87	10	79	15.8	6.96	1.00	1.93	11.9	0.00, 32.26, 0.00	15.8	0.61
	88-99	12	84	12.6	3.84	1.00	1.54	10.0	18.07, 0.00, 0.37	12.6	0.75
	100-119	20	148	14.9	5.48	1.00	2.54	8.3	26.12, 0.00, 2.75	14.9	0.71
	120-135	16	126	16.0	5.17	1.00	3.03	13.1	0.00, 15.85, 0.00	16.0	0.73
	136-146	11	76	17.8	7.44	1.00	1.85	10.1	27.85, 0.00, 7.44	17.8	0.65
	147-155	9	70	14.3	4.81	1.00	1.72	7.2	36.20, 4.83, 0.00	14.3	0.69
	156-161	6	42	39.2	6.80	1.00	2.52	39.2	0.00, 0.00, 0.00	39.2	0.81
	162-173	12	102	21.4	7.20	1.00	2.73	8.7	26.22, 0.00, 3.24	21.4	0.70
	174-196	14	109	23.9	9.11	1.00	1.63	11.4	13.69, 0.00, 5.94	23.9	0.62
	197-207	11	85	22.7	6.74	1.00	1.65	13.8	34.21, 4.88, 0.00	22.7	0.72
	208-222	15	96	34.4	5.96	1.00	1.69	27.5	19.38, 0.00, 8.00	34.4	0.82

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=1.71 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>
	2-9	8	63	24.9	4.67	1.00	1.83	22.6	16.82, 0.00, 0.00	24.9	0.81
	10-18	9	71	18.7	6.00	1.00	1.55	10.0	0.00, 10.69, 5.80	18.7	0.71
	19-35	17	136	20.3	3.70	1.00	1.62	15.0	0.00, 7.78, 9.19	20.3	0.83
	36-43	8	68	17.8	6.81	1.00	2.24	6.9	16.06, 0.00, 3.29	17.8	0.66
	44-60	17	133	14.6	3.01	1.00	1.93	10.8	9.47, 1.38, 0.00	14.6	0.82
	61-77	17	136	14.4	5.84	1.00	1.70	8.9	12.22, 0.00, 1.82	14.4	0.68
	78-87	10	79	15.8	6.96	1.00	1.93	11.9	0.00, 32.26, 0.00	15.8	0.61
	88-99	12	84	12.6	3.84	1.00	1.54	10.0	18.07, 0.00, 0.37	12.6	0.75
	100-119	20	148	14.9	5.48	1.00	2.54	8.3	26.12, 0.00, 2.75	14.9	0.71
	120-135	16	126	16.0	5.17	1.00	3.03	13.1	0.00, 15.85, 0.00	16.0	0.73
	136-146	11	76	17.8	7.44	1.00	1.85	10.1	27.85, 0.00, 7.44	17.8	0.65
	147-155	9	70	14.3	4.81	1.00	1.72	7.2	36.20, 4.83, 0.00	14.3	0.69
	156-161	6	42	39.2	6.80	1.00	2.52	39.2	0.00, 0.00, 0.00	39.2	0.81
	162-167	6	53	24.3	7.35	1.00	2.41	21.1	0.00, 27.33, 0.00	24.3	0.72
	168-193	17	131	21.4	8.78	1.00	1.92	8.6	4.65, 12.66, 0.00	21.4	0.62
	194-204	11	84	22.4	7.45	1.00	1.35	15.0	18.32, 0.42, 0.00	22.4	0.70
	205-216	12	81	29.3	4.23	1.00	1.11	27.6	0.00, 12.28, 0.00	29.3	0.84
	217-222	6	43	38.8	5.01	1.00	1.34	19.5	25.80, 4.39, 0.00	38.8	0.85

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=1.66 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>
	2-9	8	63	24.9	4.67	1.00	1.83	22.6	16.82, 0.00, 0.00	24.9	0.81
	10-18	9	71	18.7	6.00	1.00	1.55	10.0	0.00, 10.69, 5.80	18.7	0.71
	19-35	17	136	20.3	3.70	1.00	1.62	15.0	0.00, 7.78, 9.19	20.3	0.83
	36-43	8	68	17.8	6.81	1.00	2.24	6.9	16.06, 0.00, 3.29	17.8	0.66
	44-60	17	133	14.6	3.01	1.00	1.93	10.8	9.47, 1.38, 0.00	14.6	0.82
	61-77	17	136	14.4	5.84	1.00	1.70	8.9	12.22, 0.00, 1.82	14.4	0.68
	78-87	10	79	15.8	6.96	1.00	1.93	11.9	0.00, 32.26, 0.00	15.8	0.61
	88-99	12	84	12.6	3.84	1.00	1.54	10.0	18.07, 0.00, 0.37	12.6	0.75
	100-106	7	48	14.6	5.99	1.00	2.28	8.9	33.58, 8.02, 0.00	14.6	0.67
	107-119	13	100	15.1	5.21	1.00	1.73	8.8	31.82, 0.00, 4.38	15.1	0.71
	120-135	16	126	16.0	5.17	1.00	3.03	13.1	0.00, 15.85, 0.00	16.0	0.73
	136-146	11	76	17.8	7.44	1.00	1.85	10.1	27.85, 0.00, 7.44	17.8	0.65
	147-155	9	70	14.3	4.81	1.00	1.72	7.2	36.20, 4.83, 0.00	14.3	0.69
	156-161	6	42	39.2	6.80	1.00	2.52	39.2	0.00, 0.00, 0.00	39.2	0.81
	162-167	6	53	24.3	7.35	1.00	2.41	21.1	0.00, 27.33, 0.00	24.3	0.72
	168-193	17	131	21.4	8.78	1.00	1.92	8.6	4.65, 12.66, 0.00	21.4	0.62
	194-204	11	84	22.4	7.45	1.00	1.35	15.0	18.32, 0.42, 0.00	22.4	0.70
	205-216	12	81	29.3	4.23	1.00	1.11	27.6	0.00, 12.28, 0.00	29.3	0.84
	217-222	6	43	38.8	5.01	1.00	1.34	19.5	25.80, 4.39, 0.00	38.8	0.85

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=1.62 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>
	2-9	8	63	24.9	4.67	1.00	1.83	22.6	16.82, 0.00, 0.00	24.9	0.81
	10-18	9	71	18.7	6.00	1.00	1.55	10.0	0.00, 10.69, 5.80	18.7	0.71
	19-35	17	136	20.3	3.70	1.00	1.62	15.0	0.00, 7.78, 9.19	20.3	0.83
	36-43	8	68	17.8	6.81	1.00	2.24	6.9	16.06, 0.00, 3.29	17.8	0.66
	44-60	17	133	14.6	3.01	1.00	1.93	10.8	9.47, 1.38, 0.00	14.6	0.82
	61-77	17	136	14.4	5.84	1.00	1.70	8.9	12.22, 0.00, 1.82	14.4	0.68
	78-87	10	79	15.8	6.96	1.00	1.93	11.9	0.00, 32.26, 0.00	15.8	0.61
	88-99	12	84	12.6	3.84	1.00	1.54	10.0	18.07, 0.00, 0.37	12.6	0.75
	100-106	7	48	14.6	5.99	1.00	2.28	8.9	33.58, 8.02, 0.00	14.6	0.67
	107-119	13	100	15.1	5.21	1.00	1.73	8.8	31.82, 0.00, 4.38	15.1	0.71
	120-135	16	126	16.0	5.17	1.00	3.03	13.1	0.00, 15.85, 0.00	16.0	0.73
	136-146	11	76	17.8	7.44	1.00	1.85	10.1	27.85, 0.00, 7.44	17.8	0.65
	147-155	9	70	14.3	4.81	1.00	1.72	7.2	36.20, 4.83, 0.00	14.3	0.69
	156-161	6	42	39.2	6.80	1.00	2.52	39.2	0.00, 0.00, 0.00	39.2	0.81
	162-169	8	73	22.9	7.03	1.00	2.68	7.2	27.54, 0.00, 1.34	22.9	0.72
	170-179	10	76	16.8	5.44	1.00	1.41	11.2	17.00, 0.00, 3.73	16.8	0.68
	180-194	6	46	32.4	5.83	1.00	1.58	30.8	0.00, 7.22, 0.00	32.4	0.80
	195-204	10	73	21.1	6.79	1.00	1.36	17.3	0.00, 20.58, 0.00	21.1	0.72
	205-216	12	81	29.3	4.23	1.00	1.11	27.6	0.00, 12.28, 0.00	29.3	0.84
	217-222	6	43	38.8	5.01	1.00	1.34	19.5	25.80, 4.39, 0.00	38.8	0.85

26 Mar 2010

JobID: TLSMD7767_ubOwTrFF

TLSMD Version 1.4.1 Released 11 February 2010