1LUG: Chain A TLS Analysis

26 Mar 2010

JobID: TLSMD7778_dGusjLfP

TLSMD Version 1.4.1

1LUG: 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
Download TLSOUT File for TLSView Group description for PHENIX Generate PDBIN/TLSIN Files for REFMAC5/PHENIX

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Analysis of TLS Group 1 Chain Segments (overall rmsd_b=5.91 and residual=1.45)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	eval(T^r) `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-260	259	2120	12.6	8.07	0.41	5.57	7.5, 5.7, 4.7	1.11, 1.31, 1.51	12.6	0.37

Summary of Optimal TLS Group Partition using 2 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 2 Chain Segments (overall rmsd_b=5.63 and residual=1.32)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	eval(T^r) `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-80	79	657	15.3	9.32	0.35	6.41	9.1, 6.7, 1.7	2.29, 1.46, 1.23	15.3	0.32
	81-260	180	1463	11.4	7.11	0.44	4.81	7.0, 5.3, 4.4	0.98, 1.23, 1.55	11.4	0.40

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=5.38 and residual=1.20)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	eval(T^r) `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-73	72	598	14.5	8.06	0.35	5.60	9.0, 6.4, 1.9	2.28, 1.34, 1.14	14.5	0.33
	74-80	7	59	23.9	15.10	0.34	7.01	24.9, 2.1, 12.5	42.96, 0.00, 4.98	23.9	0.26
	81-260	180	1463	11.4	7.11	0.44	4.81	7.0, 5.3, 4.4	0.98, 1.23, 1.55	11.4	0.40

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=5.16 and residual=1.11)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	eval(T^r) `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-28	27	232	15.4	8.83	0.32	4.32	10.9, 4.2, 5.1	7.35, 3.81, 2.60	15.4	0.33
	29-73	45	366	13.9	7.46	0.37	4.56	-3.4, 8.5, 6.9	0.79, 2.02, 3.88	13.9	0.32
	74-80	7	59	23.9	15.10	0.34	7.01	24.9, 2.1, 12.5	42.96, 0.00, 4.98	23.9	0.26
	81-260	180	1463	11.4	7.11	0.44	4.81	7.0, 5.3, 4.4	0.98, 1.23, 1.55	11.4	0.40

Summary of Optimal TLS Group Partition using 5 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 5 Chain Segments (overall rmsd_b=4.97 and residual=1.03)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	eval(T^r) `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-28	27	232	15.4	8.83	0.32	4.32	10.9, 4.2, 5.1	7.35, 3.81, 2.60	15.4	0.33
	29-73	45	366	13.9	7.46	0.37	4.56	-3.4, 8.5, 6.9	0.79, 2.02, 3.88	13.9	0.32
	74-80	7	59	23.9	15.10	0.34	7.01	24.9, 2.1, 12.5	42.96, 0.00, 4.98	23.9	0.26
	81-255	175	1413	11.1	6.59	0.44	4.55	7.0, 5.4, 5.0	1.45, 0.88, 1.09	11.1	0.43
	256-260	5	50	19.9	13.32	0.32	3.46	12.3, 6.6, 2.4	30.93, 14.33, 4.46	19.9	0.23

Summary of Optimal TLS Group Partition using 6 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 6 Chain Segments (overall rmsd_b=4.83 and residual=0.97)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	eval(T^r) `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-28	27	232	15.4	8.83	0.32	4.32	10.9, 4.2, 5.1	7.35, 3.81, 2.60	15.4	0.33
	29-73	45	366	13.9	7.46	0.37	4.56	-3.4, 8.5, 6.9	0.79, 2.02, 3.88	13.9	0.32
	74-80	7	59	23.9	15.10	0.34	7.01	24.9, 2.1, 12.5	42.96, 0.00, 4.98	23.9	0.26
	81-163	83	655	10.0	5.53	0.47	3.97	4.5, 4.9, 6.4	0.78, 1.96, 1.29	10.0	0.46
	164-174	11	79	20.0	10.57	0.28	3.93	18.9, 0.5, 8.0	19.37, 6.16, 9.51	20.0	0.21
	175-260	86	729	11.8	7.21	0.43	4.59	2.8, 5.5, 7.6	0.93, 1.46, 1.59	11.8	0.37

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=4.65 and residual=0.90)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	eval(T^r) `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-28	27	232	15.4	8.83	0.32	4.32	10.9, 4.2, 5.1	7.35, 3.81, 2.60	15.4	0.33
	29-73	45	366	13.9	7.46	0.37	4.56	-3.4, 8.5, 6.9	0.79, 2.02, 3.88	13.9	0.32
	74-80	7	59	23.9	15.10	0.34	7.01	24.9, 2.1, 12.5	42.96, 0.00, 4.98	23.9	0.26
	81-163	83	655	10.0	5.53	0.47	3.97	4.5, 4.9, 6.4	0.78, 1.96, 1.29	10.0	0.46
	164-174	11	79	20.0	10.57	0.28	3.93	18.9, 0.5, 8.0	19.37, 6.16, 9.51	20.0	0.21
	175-255	81	679	11.2	6.13	0.44	3.95	7.5, 5.6, 4.4	1.39, 0.86, 1.08	11.2	0.43
	256-260	5	50	19.9	13.32	0.32	3.46	12.3, 6.6, 2.4	30.93, 14.33, 4.46	19.9	0.23

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=4.51 and residual=0.85)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	eval(T^r) `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-28	27	232	15.4	8.83	0.32	4.32	10.9, 4.2, 5.1	7.35, 3.81, 2.60	15.4	0.33
	29-73	45	366	13.9	7.46	0.37	4.56	-3.4, 8.5, 6.9	0.79, 2.02, 3.88	13.9	0.32
	74-79	6	50	23.4	14.07	0.34	5.48	1.2, 12.2, 9.3	59.34, 5.32, 3.81	23.3	0.33
	80-86	7	48	15.6	10.84	0.43	3.25	2.4, 11.0, 8.7	48.13, 0.00, 10.47	15.6	0.25
	87-163	77	616	9.8	5.52	0.47	3.97	4.3, 4.9, 6.3	0.76, 2.00, 1.27	9.8	0.46
	164-174	11	79	20.0	10.57	0.28	3.93	18.9, 0.5, 8.0	19.37, 6.16, 9.51	20.0	0.21
	175-255	81	679	11.2	6.13	0.44	3.95	7.5, 5.6, 4.4	1.39, 0.86, 1.08	11.2	0.43
	256-260	5	50	19.9	13.32	0.32	3.46	12.3, 6.6, 2.4	30.93, 14.33, 4.46	19.9	0.23

Summary of Optimal TLS Group Partition using 9 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 9 Chain Segments (overall rmsd_b=4.41 and residual=0.81)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	eval(T^r) `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-9	8	68	20.4	11.46	0.39	3.54	8.7, 17.2, 13.1	17.84, 9.36, 0.00	20.4	0.38
	10-28	19	164	13.4	6.43	0.29	3.78	3.9, 9.2, 7.3	8.79, 1.80, 2.70	13.4	0.32
	29-73	45	366	13.9	7.46	0.37	4.56	-3.4, 8.5, 6.9	0.79, 2.02, 3.88	13.9	0.32
	74-79	6	50	23.4	14.07	0.34	5.48	1.2, 12.2, 9.3	59.34, 5.32, 3.81	23.3	0.33
	80-86	7	48	15.6	10.84	0.43	3.25	2.4, 11.0, 8.7	48.13, 0.00, 10.47	15.6	0.25
	87-163	77	616	9.8	5.52	0.47	3.97	4.3, 4.9, 6.3	0.76, 2.00, 1.27	9.8	0.46
	164-174	11	79	20.0	10.57	0.28	3.93	18.9, 0.5, 8.0	19.37, 6.16, 9.51	20.0	0.21
	175-255	81	679	11.2	6.13	0.44	3.95	7.5, 5.6, 4.4	1.39, 0.86, 1.08	11.2	0.43
	256-260	5	50	19.9	13.32	0.32	3.46	12.3, 6.6, 2.4	30.93, 14.33, 4.46	19.9	0.23

Summary of Optimal TLS Group Partition using 10 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 10 Chain Segments (overall rmsd_b=4.29 and residual=0.76)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	eval(T^r) `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-9	8	68	20.4	11.46	0.39	3.54	8.7, 17.2, 13.1	17.84, 9.36, 0.00	20.4	0.38
	10-41	32	270	12.3	6.15	0.34	3.90	1.2, 7.6, 7.3	6.99, 0.86, 1.13	12.3	0.32
	42-53	12	98	18.6	9.86	0.34	4.34	0.9, 8.6, 12.3	1.70, 3.95, 20.56	18.6	0.29
	54-73	20	162	13.0	5.26	0.34	3.74	13.1, 7.9, 5.0	3.66, 2.10, 0.00	13.0	0.39
	74-79	6	50	23.4	14.07	0.34	5.48	1.2, 12.2, 9.3	59.34, 5.32, 3.81	23.3	0.33
	80-86	7	48	15.6	10.84	0.43	3.25	2.4, 11.0, 8.7	48.13, 0.00, 10.47	15.6	0.25
	87-163	77	616	9.8	5.52	0.47	3.97	4.3, 4.9, 6.3	0.76, 2.00, 1.27	9.8	0.46
	164-174	11	79	20.0	10.57	0.28	3.93	18.9, 0.5, 8.0	19.37, 6.16, 9.51	20.0	0.21
	175-255	81	679	11.2	6.13	0.44	3.95	7.5, 5.6, 4.4	1.39, 0.86, 1.08	11.2	0.43
	256-260	5	50	19.9	13.32	0.32	3.46	12.3, 6.6, 2.4	30.93, 14.33, 4.46	19.9	0.23

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=4.19 and residual=0.73)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	eval(T^r) `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-14	13	106	19.4	10.29	0.35	4.28	19.9, 9.2, 10.6	12.33, 7.35, 0.10	19.4	0.36
	15-35	21	181	10.8	5.20	0.37	3.16	7.6, 4.1, 2.8	5.73, 1.23, 0.91	10.8	0.33
	36-50	15	120	15.8	6.18	0.33	2.51	4.1, 9.3, 11.0	16.91, 0.86, 1.68	15.8	0.35
	51-55	5	41	20.9	12.96	0.35	5.15	-13.4, 13.9, 8.3	2.99, 21.05, 33.79	20.9	0.27
	56-73	18	150	12.7	5.05	0.34	3.67	13.0, 8.0, 5.1	3.49, 2.06, 0.00	12.7	0.40
	74-79	6	50	23.4	14.07	0.34	5.48	1.2, 12.2, 9.3	59.34, 5.32, 3.81	23.3	0.33
	80-86	7	48	15.6	10.84	0.43	3.25	2.4, 11.0, 8.7	48.13, 0.00, 10.47	15.6	0.25
	87-163	77	616	9.8	5.52	0.47	3.97	4.3, 4.9, 6.3	0.76, 2.00, 1.27	9.8	0.46
	164-174	11	79	20.0	10.57	0.28	3.93	18.9, 0.5, 8.0	19.37, 6.16, 9.51	20.0	0.21
	175-255	81	679	11.2	6.13	0.44	3.95	7.5, 5.6, 4.4	1.39, 0.86, 1.08	11.2	0.43
	256-260	5	50	19.9	13.32	0.32	3.46	12.3, 6.6, 2.4	30.93, 14.33, 4.46	19.9	0.23

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=4.10 and residual=0.70)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	eval(T^r) `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-14	13	106	19.4	10.29	0.35	4.28	19.9, 9.2, 10.6	12.33, 7.35, 0.10	19.4	0.36
	15-35	21	181	10.8	5.20	0.37	3.16	7.6, 4.1, 2.8	5.73, 1.23, 0.91	10.8	0.33
	36-50	15	120	15.8	6.18	0.33	2.51	4.1, 9.3, 11.0	16.91, 0.86, 1.68	15.8	0.35
	51-55	5	41	20.9	12.96	0.35	5.15	-13.4, 13.9, 8.3	2.99, 21.05, 33.79	20.9	0.27
	56-73	18	150	12.7	5.05	0.34	3.67	13.0, 8.0, 5.1	3.49, 2.06, 0.00	12.7	0.40
	74-79	6	50	23.4	14.07	0.34	5.48	1.2, 12.2, 9.3	59.34, 5.32, 3.81	23.3	0.33
	80-86	7	48	15.6	10.84	0.43	3.25	2.4, 11.0, 8.7	48.13, 0.00, 10.47	15.6	0.25
	87-163	77	616	9.8	5.52	0.47	3.97	4.3, 4.9, 6.3	0.76, 2.00, 1.27	9.8	0.46
	164-174	11	79	20.0	10.57	0.28	3.93	18.9, 0.5, 8.0	19.37, 6.16, 9.51	20.0	0.21
	175-187	13	105	13.8	4.93	0.32	2.78	13.3, 8.2, 6.2	21.85, 1.17, 0.00	13.8	0.37
	188-255	68	574	10.7	6.20	0.46	3.93	7.2, 4.5, 4.1	1.58, 0.98, 1.09	10.7	0.42
	256-260	5	50	19.9	13.32	0.32	3.46	12.3, 6.6, 2.4	30.93, 14.33, 4.46	19.9	0.23

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=4.01 and residual=0.67)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	eval(T^r) `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-14	13	106	19.4	10.29	0.35	4.28	19.9, 9.2, 10.6	12.33, 7.35, 0.10	19.4	0.36
	15-35	21	181	10.8	5.20	0.37	3.16	7.6, 4.1, 2.8	5.73, 1.23, 0.91	10.8	0.33
	36-50	15	120	15.8	6.18	0.33	2.51	4.1, 9.3, 11.0	16.91, 0.86, 1.68	15.8	0.35
	51-55	5	41	20.9	12.96	0.35	5.15	-13.4, 13.9, 8.3	2.99, 21.05, 33.79	20.9	0.27
	56-73	18	150	12.7	5.05	0.34	3.67	13.0, 8.0, 5.1	3.49, 2.06, 0.00	12.7	0.40
	74-79	6	50	23.4	14.07	0.34	5.48	1.2, 12.2, 9.3	59.34, 5.32, 3.81	23.3	0.33
	80-86	7	48	15.6	10.84	0.43	3.25	2.4, 11.0, 8.7	48.13, 0.00, 10.47	15.6	0.25
	87-151	65	528	9.0	5.11	0.48	3.81	6.1, 3.6, 4.5	0.76, 2.26, 1.41	9.0	0.46
	152-163	12	88	14.4	5.63	0.37	2.41	15.5, 5.3, 7.5	18.93, 0.95, 2.73	14.4	0.33
	164-174	11	79	20.0	10.57	0.28	3.93	18.9, 0.5, 8.0	19.37, 6.16, 9.51	20.0	0.21
	175-187	13	105	13.8	4.93	0.32	2.78	13.3, 8.2, 6.2	21.85, 1.17, 0.00	13.8	0.37
	188-255	68	574	10.7	6.20	0.46	3.93	7.2, 4.5, 4.1	1.58, 0.98, 1.09	10.7	0.42
	256-260	5	50	19.9	13.32	0.32	3.46	12.3, 6.6, 2.4	30.93, 14.33, 4.46	19.9	0.23

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=3.92 and residual=0.64)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	eval(T^r) `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-14	13	106	19.4	10.29	0.35	4.28	19.9, 9.2, 10.6	12.33, 7.35, 0.10	19.4	0.36
	15-35	21	181	10.8	5.20	0.37	3.16	7.6, 4.1, 2.8	5.73, 1.23, 0.91	10.8	0.33
	36-50	15	120	15.8	6.18	0.33	2.51	4.1, 9.3, 11.0	16.91, 0.86, 1.68	15.8	0.35
	51-55	5	41	20.9	12.96	0.35	5.15	-13.4, 13.9, 8.3	2.99, 21.05, 33.79	20.9	0.27
	56-73	18	150	12.7	5.05	0.34	3.67	13.0, 8.0, 5.1	3.49, 2.06, 0.00	12.7	0.40
	74-79	6	50	23.4	14.07	0.34	5.48	1.2, 12.2, 9.3	59.34, 5.32, 3.81	23.3	0.33
	80-86	7	48	15.6	10.84	0.43	3.25	2.4, 11.0, 8.7	48.13, 0.00, 10.47	15.6	0.25
	87-151	65	528	9.0	5.11	0.48	3.81	6.1, 3.6, 4.5	0.76, 2.26, 1.41	9.0	0.46
	152-163	12	88	14.4	5.63	0.37	2.41	15.5, 5.3, 7.5	18.93, 0.95, 2.73	14.4	0.33
	164-174	11	79	20.0	10.57	0.28	3.93	18.9, 0.5, 8.0	19.37, 6.16, 9.51	20.0	0.21
	175-187	13	105	13.8	4.93	0.32	2.78	13.3, 8.2, 6.2	21.85, 1.17, 0.00	13.8	0.37
	188-223	36	294	8.4	4.30	0.51	2.80	1.0, 5.4, 6.3	2.49, 1.19, 0.80	8.4	0.44
	224-255	32	280	13.0	6.98	0.41	4.25	2.7, 5.1, 8.9	3.61, 0.73, 1.53	13.0	0.39
	256-260	5	50	19.9	13.32	0.32	3.46	12.3, 6.6, 2.4	30.93, 14.33, 4.46	19.9	0.23

Summary of Optimal TLS Group Partition using 15 Groups
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Analysis of TLS Group 15 Chain Segments (overall rmsd_b=3.84 and residual=0.61)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	eval(T^r) `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-14	13	106	19.4	10.29	0.35	4.28	19.9, 9.2, 10.6	12.33, 7.35, 0.10	19.4	0.36
	15-35	21	181	10.8	5.20	0.37	3.16	7.6, 4.1, 2.8	5.73, 1.23, 0.91	10.8	0.33
	36-50	15	120	15.8	6.18	0.33	2.51	4.1, 9.3, 11.0	16.91, 0.86, 1.68	15.8	0.35
	51-55	5	41	20.9	12.96	0.35	5.15	-13.4, 13.9, 8.3	2.99, 21.05, 33.79	20.9	0.27
	56-73	18	150	12.7	5.05	0.34	3.67	13.0, 8.0, 5.1	3.49, 2.06, 0.00	12.7	0.40
	74-79	6	50	23.4	14.07	0.34	5.48	1.2, 12.2, 9.3	59.34, 5.32, 3.81	23.3	0.33
	80-86	7	48	15.6	10.84	0.43	3.25	2.4, 11.0, 8.7	48.13, 0.00, 10.47	15.6	0.25
	87-151	65	528	9.0	5.11	0.48	3.81	6.1, 3.6, 4.5	0.76, 2.26, 1.41	9.0	0.46
	152-163	12	88	14.4	5.63	0.37	2.41	15.5, 5.3, 7.5	18.93, 0.95, 2.73	14.4	0.33
	164-174	11	79	20.0	10.57	0.28	3.93	18.9, 0.5, 8.0	19.37, 6.16, 9.51	20.0	0.21
	175-187	13	105	13.8	4.93	0.32	2.78	13.3, 8.2, 6.2	21.85, 1.17, 0.00	13.8	0.37
	188-226	39	325	8.9	4.55	0.50	2.97	1.0, 5.3, 6.6	2.38, 1.33, 0.76	8.9	0.45
	227-238	12	100	17.9	8.10	0.32	4.66	19.1, 11.3, 3.0	17.37, 5.61, 0.00	17.9	0.31
	239-255	17	149	9.8	4.01	0.47	2.23	3.6, 5.1, 7.5	4.60, 0.95, 1.30	9.8	0.47
	256-260	5	50	19.9	13.32	0.32	3.46	12.3, 6.6, 2.4	30.93, 14.33, 4.46	19.9	0.23

Summary of Optimal TLS Group Partition using 16 Groups
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Analysis of TLS Group 16 Chain Segments (overall rmsd_b=3.77 and residual=0.59)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	eval(T^r) `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-14	13	106	19.4	10.29	0.35	4.28	19.9, 9.2, 10.6	12.33, 7.35, 0.10	19.4	0.36
	15-35	21	181	10.8	5.20	0.37	3.16	7.6, 4.1, 2.8	5.73, 1.23, 0.91	10.8	0.33
	36-50	15	120	15.8	6.18	0.33	2.51	4.1, 9.3, 11.0	16.91, 0.86, 1.68	15.8	0.35
	51-55	5	41	20.9	12.96	0.35	5.15	-13.4, 13.9, 8.3	2.99, 21.05, 33.79	20.9	0.27
	56-73	18	150	12.7	5.05	0.34	3.67	13.0, 8.0, 5.1	3.49, 2.06, 0.00	12.7	0.40
	74-79	6	50	23.4	14.07	0.34	5.48	1.2, 12.2, 9.3	59.34, 5.32, 3.81	23.3	0.33
	80-86	7	48	15.6	10.84	0.43	3.25	2.4, 11.0, 8.7	48.13, 0.00, 10.47	15.6	0.25
	87-134	48	406	9.0	4.77	0.47	3.57	6.0, 3.8, 4.7	0.77, 1.38, 2.48	9.0	0.47
	135-151	17	122	9.0	6.11	0.52	3.16	7.0, 2.9, 1.3	11.98, 0.78, 1.40	9.0	0.40
	152-163	12	88	14.4	5.63	0.37	2.41	15.5, 5.3, 7.5	18.93, 0.95, 2.73	14.4	0.33
	164-174	11	79	20.0	10.57	0.28	3.93	18.9, 0.5, 8.0	19.37, 6.16, 9.51	20.0	0.21
	175-187	13	105	13.8	4.93	0.32	2.78	13.3, 8.2, 6.2	21.85, 1.17, 0.00	13.8	0.37
	188-226	39	325	8.9	4.55	0.50	2.97	1.0, 5.3, 6.6	2.38, 1.33, 0.76	8.9	0.45
	227-238	12	100	17.9	8.10	0.32	4.66	19.1, 11.3, 3.0	17.37, 5.61, 0.00	17.9	0.31
	239-255	17	149	9.8	4.01	0.47	2.23	3.6, 5.1, 7.5	4.60, 0.95, 1.30	9.8	0.47
	256-260	5	50	19.9	13.32	0.32	3.46	12.3, 6.6, 2.4	30.93, 14.33, 4.46	19.9	0.23

Summary of Optimal TLS Group Partition using 17 Groups
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Analysis of TLS Group 17 Chain Segments (overall rmsd_b=3.70 and residual=0.57)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	eval(T^r) `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-14	13	106	19.4	10.29	0.35	4.28	19.9, 9.2, 10.6	12.33, 7.35, 0.10	19.4	0.36
	15-35	21	181	10.8	5.20	0.37	3.16	7.6, 4.1, 2.8	5.73, 1.23, 0.91	10.8	0.33
	36-50	15	120	15.8	6.18	0.33	2.51	4.1, 9.3, 11.0	16.91, 0.86, 1.68	15.8	0.35
	51-55	5	41	20.9	12.96	0.35	5.15	-13.4, 13.9, 8.3	2.99, 21.05, 33.79	20.9	0.27
	56-73	18	150	12.7	5.05	0.34	3.67	13.0, 8.0, 5.1	3.49, 2.06, 0.00	12.7	0.40
	74-79	6	50	23.4	14.07	0.34	5.48	1.2, 12.2, 9.3	59.34, 5.32, 3.81	23.3	0.33
	80-86	7	48	15.6	10.84	0.43	3.25	2.4, 11.0, 8.7	48.13, 0.00, 10.47	15.6	0.25
	87-125	39	333	8.3	4.20	0.49	3.01	3.1, 5.9, 5.1	0.47, 1.12, 2.05	8.3	0.48
	126-134	9	73	11.9	5.99	0.36	3.39	10.3, 2.5, 6.0	17.66, 5.76, 4.89	11.9	0.29
	135-151	17	122	9.0	6.11	0.52	3.16	7.0, 2.9, 1.3	11.98, 0.78, 1.40	9.0	0.40
	152-163	12	88	14.4	5.63	0.37	2.41	15.5, 5.3, 7.5	18.93, 0.95, 2.73	14.4	0.33
	164-174	11	79	20.0	10.57	0.28	3.93	18.9, 0.5, 8.0	19.37, 6.16, 9.51	20.0	0.21
	175-187	13	105	13.8	4.93	0.32	2.78	13.3, 8.2, 6.2	21.85, 1.17, 0.00	13.8	0.37
	188-226	39	325	8.9	4.55	0.50	2.97	1.0, 5.3, 6.6	2.38, 1.33, 0.76	8.9	0.45
	227-238	12	100	17.9	8.10	0.32	4.66	19.1, 11.3, 3.0	17.37, 5.61, 0.00	17.9	0.31
	239-255	17	149	9.8	4.01	0.47	2.23	3.6, 5.1, 7.5	4.60, 0.95, 1.30	9.8	0.47
	256-260	5	50	19.9	13.32	0.32	3.46	12.3, 6.6, 2.4	30.93, 14.33, 4.46	19.9	0.23

Summary of Optimal TLS Group Partition using 18 Groups
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Analysis of TLS Group 18 Chain Segments (overall rmsd_b=3.64 and residual=0.55)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	eval(T^r) `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-14	13	106	19.4	10.29	0.35	4.28	19.9, 9.2, 10.6	12.33, 7.35, 0.10	19.4	0.36
	15-35	21	181	10.8	5.20	0.37	3.16	7.6, 4.1, 2.8	5.73, 1.23, 0.91	10.8	0.33
	36-50	15	120	15.8	6.18	0.33	2.51	4.1, 9.3, 11.0	16.91, 0.86, 1.68	15.8	0.35
	51-55	5	41	20.9	12.96	0.35	5.15	-13.4, 13.9, 8.3	2.99, 21.05, 33.79	20.9	0.27
	56-73	18	150	12.7	5.05	0.34	3.67	13.0, 8.0, 5.1	3.49, 2.06, 0.00	12.7	0.40
	74-79	6	50	23.4	14.07	0.34	5.48	1.2, 12.2, 9.3	59.34, 5.32, 3.81	23.3	0.33
	80-86	7	48	15.6	10.84	0.43	3.25	2.4, 11.0, 8.7	48.13, 0.00, 10.47	15.6	0.25
	87-125	39	333	8.3	4.20	0.49	3.01	3.1, 5.9, 5.1	0.47, 1.12, 2.05	8.3	0.48
	126-134	9	73	11.9	5.99	0.36	3.39	10.3, 2.5, 6.0	17.66, 5.76, 4.89	11.9	0.29
	135-151	17	122	9.0	6.11	0.52	3.16	7.0, 2.9, 1.3	11.98, 0.78, 1.40	9.0	0.40
	152-163	12	88	14.4	5.63	0.37	2.41	15.5, 5.3, 7.5	18.93, 0.95, 2.73	14.4	0.33
	164-169	6	47	18.7	10.40	0.32	3.38	18.9, -2.0, 5.9	27.21, 10.74, 17.73	18.7	0.22
	170-175	6	43	20.2	9.57	0.25	3.01	22.3, 3.9, 9.0	32.68, 0.00, 3.84	20.2	0.20
	176-187	12	94	13.6	5.13	0.32	2.76	13.3, 6.4, 7.6	26.41, 1.45, 0.00	13.6	0.35
	188-226	39	325	8.9	4.55	0.50	2.97	1.0, 5.3, 6.6	2.38, 1.33, 0.76	8.9	0.45
	227-238	12	100	17.9	8.10	0.32	4.66	19.1, 11.3, 3.0	17.37, 5.61, 0.00	17.9	0.31
	239-255	17	149	9.8	4.01	0.47	2.23	3.6, 5.1, 7.5	4.60, 0.95, 1.30	9.8	0.47
	256-260	5	50	19.9	13.32	0.32	3.46	12.3, 6.6, 2.4	30.93, 14.33, 4.46	19.9	0.23

Summary of Optimal TLS Group Partition using 19 Groups
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Analysis of TLS Group 19 Chain Segments (overall rmsd_b=3.59 and residual=0.54)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	eval(T^r) `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-14	13	106	19.4	10.29	0.35	4.28	19.9, 9.2, 10.6	12.33, 7.35, 0.10	19.4	0.36
	15-35	21	181	10.8	5.20	0.37	3.16	7.6, 4.1, 2.8	5.73, 1.23, 0.91	10.8	0.33
	36-50	15	120	15.8	6.18	0.33	2.51	4.1, 9.3, 11.0	16.91, 0.86, 1.68	15.8	0.35
	51-55	5	41	20.9	12.96	0.35	5.15	-13.4, 13.9, 8.3	2.99, 21.05, 33.79	20.9	0.27
	56-73	18	150	12.7	5.05	0.34	3.67	13.0, 8.0, 5.1	3.49, 2.06, 0.00	12.7	0.40
	74-79	6	50	23.4	14.07	0.34	5.48	1.2, 12.2, 9.3	59.34, 5.32, 3.81	23.3	0.33
	80-86	7	48	15.6	10.84	0.43	3.25	2.4, 11.0, 8.7	48.13, 0.00, 10.47	15.6	0.25
	87-125	39	333	8.3	4.20	0.49	3.01	3.1, 5.9, 5.1	0.47, 1.12, 2.05	8.3	0.48
	126-134	9	73	11.9	5.99	0.36	3.39	10.3, 2.5, 6.0	17.66, 5.76, 4.89	11.9	0.29
	135-151	17	122	9.0	6.11	0.52	3.16	7.0, 2.9, 1.3	11.98, 0.78, 1.40	9.0	0.40
	152-163	12	88	14.4	5.63	0.37	2.41	15.5, 5.3, 7.5	18.93, 0.95, 2.73	14.4	0.33
	164-169	6	47	18.7	10.40	0.32	3.38	18.9, -2.0, 5.9	27.21, 10.74, 17.73	18.7	0.22
	170-175	6	43	20.2	9.57	0.25	3.01	22.3, 3.9, 9.0	32.68, 0.00, 3.84	20.2	0.20
	176-187	12	94	13.6	5.13	0.32	2.76	13.3, 6.4, 7.6	26.41, 1.45, 0.00	13.6	0.35
	188-226	39	325	8.9	4.55	0.50	2.97	1.0, 5.3, 6.6	2.38, 1.33, 0.76	8.9	0.45
	227-233	7	57	14.7	7.27	0.36	2.54	16.2, 9.0, 2.3	21.74, 3.98, 0.00	14.7	0.32
	234-238	5	43	22.1	7.14	0.27	4.15	7.1, 14.7, 21.6	37.53, 9.61, 0.00	22.1	0.32
	239-255	17	149	9.8	4.01	0.47	2.23	3.6, 5.1, 7.5	4.60, 0.95, 1.30	9.8	0.47
	256-260	5	50	19.9	13.32	0.32	3.46	12.3, 6.6, 2.4	30.93, 14.33, 4.46	19.9	0.23

Summary of Optimal TLS Group Partition using 20 Groups
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Analysis of TLS Group 20 Chain Segments (overall rmsd_b=3.53 and residual=0.52)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	eval(T^r) `B`	eval(L) `DEG²`	<B>	<Aniso>
	2-9	8	68	20.4	11.46	0.39	3.54	8.7, 17.2, 13.1	17.84, 9.36, 0.00	20.4	0.38
	10-15	6	48	16.5	7.04	0.27	3.21	-41.9, 9.9, 25.7	12.67, 6.75, 1.18	16.5	0.31
	16-35	20	171	10.7	5.32	0.37	3.23	7.4, 4.2, 3.0	5.88, 1.36, 0.95	10.7	0.34
	36-50	15	120	15.8	6.18	0.33	2.51	4.1, 9.3, 11.0	16.91, 0.86, 1.68	15.8	0.35
	51-55	5	41	20.9	12.96	0.35	5.15	-13.4, 13.9, 8.3	2.99, 21.05, 33.79	20.9	0.27
	56-73	18	150	12.7	5.05	0.34	3.67	13.0, 8.0, 5.1	3.49, 2.06, 0.00	12.7	0.40
	74-79	6	50	23.4	14.07	0.34	5.48	1.2, 12.2, 9.3	59.34, 5.32, 3.81	23.3	0.33
	80-86	7	48	15.6	10.84	0.43	3.25	2.4, 11.0, 8.7	48.13, 0.00, 10.47	15.6	0.25
	87-125	39	333	8.3	4.20	0.49	3.01	3.1, 5.9, 5.1	0.47, 1.12, 2.05	8.3	0.48
	126-134	9	73	11.9	5.99	0.36	3.39	10.3, 2.5, 6.0	17.66, 5.76, 4.89	11.9	0.29
	135-151	17	122	9.0	6.11	0.52	3.16	7.0, 2.9, 1.3	11.98, 0.78, 1.40	9.0	0.40
	152-163	12	88	14.4	5.63	0.37	2.41	15.5, 5.3, 7.5	18.93, 0.95, 2.73	14.4	0.33
	164-169	6	47	18.7	10.40	0.32	3.38	18.9, -2.0, 5.9	27.21, 10.74, 17.73	18.7	0.22
	170-175	6	43	20.2	9.57	0.25	3.01	22.3, 3.9, 9.0	32.68, 0.00, 3.84	20.2	0.20
	176-187	12	94	13.6	5.13	0.32	2.76	13.3, 6.4, 7.6	26.41, 1.45, 0.00	13.6	0.35
	188-226	39	325	8.9	4.55	0.50	2.97	1.0, 5.3, 6.6	2.38, 1.33, 0.76	8.9	0.45
	227-233	7	57	14.7	7.27	0.36	2.54	16.2, 9.0, 2.3	21.74, 3.98, 0.00	14.7	0.32
	234-238	5	43	22.1	7.14	0.27	4.15	7.1, 14.7, 21.6	37.53, 9.61, 0.00	22.1	0.32
	239-255	17	149	9.8	4.01	0.47	2.23	3.6, 5.1, 7.5	4.60, 0.95, 1.30	9.8	0.47
	256-260	5	50	19.9	13.32	0.32	3.46	12.3, 6.6, 2.4	30.93, 14.33, 4.46	19.9	0.23

26 Mar 2010

JobID: TLSMD7778_dGusjLfP

TLSMD Version 1.4.1 Released 11 February 2010