1HNF: Chain A TLS Analysis

26 Mar 2010

JobID: TLSMD7770_nGcUBtSa

TLSMD Version 1.4.1

1HNF: 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=11.32 and residual=3.68)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-182	179	1447	35.6	20.34	1.00	11.63	10.6	26.93, 1.83, 0.00	35.6	0.60

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=9.80 and residual=2.76)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-104	101	839	40.9	22.36	1.00	9.41	12.0	31.48, 4.82, 0.00	40.9	0.58
	105-182	78	608	28.3	14.26	1.00	10.35	10.5	23.11, 6.69, 0.00	28.3	0.67

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=8.40 and residual=2.03)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-53	50	407	46.6	26.64	1.00	8.86	5.6	34.39, 7.54, 0.00	46.6	0.52
	54-154	101	836	31.3	14.69	1.00	8.57	14.9	25.29, 0.29, 0.00	31.3	0.67
	155-182	28	204	31.1	17.30	1.00	7.87	10.8	68.93, 0.00, 5.09	31.1	0.59

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=7.94 and residual=1.81)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-53	50	407	46.6	26.64	1.00	8.86	5.6	34.39, 7.54, 0.00	46.6	0.52
	54-116	63	530	32.9	15.65	1.00	7.90	13.9	27.08, 0.55, 0.00	32.9	0.63
	117-167	51	399	28.4	12.41	1.00	7.87	13.3	27.29, 4.56, 0.00	28.4	0.70
	168-182	15	111	33.7	20.10	1.00	7.92	8.9	79.10, 5.18, 0.00	33.7	0.53

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=7.46 and residual=1.60)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-46	43	342	40.1	22.08	1.00	7.33	10.2	26.86, 3.51, 1.73	40.1	0.56
	47-55	9	85	74.6	23.17	1.00	8.74	69.7	38.99, 0.00, 0.00	74.6	0.67
	56-116	61	510	32.0	15.14	1.00	7.68	16.6	27.15, 0.40, 0.00	32.0	0.64
	117-167	51	399	28.4	12.41	1.00	7.87	13.3	27.29, 4.56, 0.00	28.4	0.70
	168-182	15	111	33.7	20.10	1.00	7.92	8.9	79.10, 5.18, 0.00	33.7	0.53

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=7.21 and residual=1.49)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-9	6	44	44.9	24.52	1.00	5.93	16.8	56.22, 0.00, 20.41	44.9	0.50
	10-46	37	298	39.4	21.61	1.00	6.27	10.4	27.03, 3.78, 1.25	39.4	0.55
	47-55	9	85	74.6	23.17	1.00	8.74	69.7	38.99, 0.00, 0.00	74.6	0.67
	56-116	61	510	32.0	15.14	1.00	7.68	16.6	27.15, 0.40, 0.00	32.0	0.64
	117-167	51	399	28.4	12.41	1.00	7.87	13.3	27.29, 4.56, 0.00	28.4	0.70
	168-182	15	111	33.7	20.10	1.00	7.92	8.9	79.10, 5.18, 0.00	33.7	0.53

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=6.95 and residual=1.39)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-9	6	44	44.9	24.52	1.00	5.93	16.8	56.22, 0.00, 20.41	44.9	0.50
	10-46	37	298	39.4	21.61	1.00	6.27	10.4	27.03, 3.78, 1.25	39.4	0.55
	47-55	9	85	74.6	23.17	1.00	8.74	69.7	38.99, 0.00, 0.00	74.6	0.67
	56-98	43	361	36.1	15.33	1.00	7.44	13.2	31.18, 0.09, 6.05	36.1	0.66
	99-139	41	325	25.2	10.32	1.00	7.69	16.5	0.00, 23.85, 0.00	25.2	0.75
	140-165	26	206	29.1	13.62	1.00	7.53	8.8	27.71, 9.40, 0.00	29.1	0.65
	166-182	17	128	32.8	19.37	1.00	7.57	8.7	78.81, 5.03, 0.00	32.8	0.54

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=6.73 and residual=1.30)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-9	6	44	44.9	24.52	1.00	5.93	16.8	56.22, 0.00, 20.41	44.9	0.50
	10-29	20	155	44.2	26.08	1.00	5.63	10.7	27.19, 0.00, 5.51	44.2	0.46
	30-51	22	192	44.4	23.35	1.00	6.19	10.3	0.02, 24.42, 12.87	44.4	0.52
	52-58	7	62	70.0	22.20	1.00	6.92	57.9	56.78, 0.00, 0.00	70.0	0.69
	59-75	17	143	37.4	14.62	1.00	7.08	25.9	25.14, 0.00, 11.03	37.4	0.66
	76-116	41	341	27.4	11.78	1.00	7.12	15.9	30.48, 0.00, 0.44	27.4	0.67
	117-167	51	399	28.4	12.41	1.00	7.87	13.3	27.29, 4.56, 0.00	28.4	0.70
	168-182	15	111	33.7	20.10	1.00	7.92	8.9	79.10, 5.18, 0.00	33.7	0.53

Summary of Optimal TLS Group Partition using 9 Groups
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Analysis of TLS Group 9 Chain Segments (overall rmsd_b=6.48 and residual=1.21)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-9	6	44	44.9	24.52	1.00	5.93	16.8	56.22, 0.00, 20.41	44.9	0.50
	10-29	20	155	44.2	26.08	1.00	5.63	10.7	27.19, 0.00, 5.51	44.2	0.46
	30-51	22	192	44.4	23.35	1.00	6.19	10.3	0.02, 24.42, 12.87	44.4	0.52
	52-58	7	62	70.0	22.20	1.00	6.92	57.9	56.78, 0.00, 0.00	70.0	0.69
	59-75	17	143	37.4	14.62	1.00	7.08	25.9	25.14, 0.00, 11.03	37.4	0.66
	76-92	17	140	30.8	13.47	1.00	6.49	12.1	33.80, 0.00, 8.22	30.8	0.62
	93-116	24	201	25.1	9.79	1.00	6.08	13.6	27.13, 0.75, 0.00	25.1	0.69
	117-167	51	399	28.4	12.41	1.00	7.87	13.3	27.29, 4.56, 0.00	28.4	0.70
	168-182	15	111	33.7	20.10	1.00	7.92	8.9	79.10, 5.18, 0.00	33.7	0.53

Summary of Optimal TLS Group Partition using 10 Groups
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Analysis of TLS Group 10 Chain Segments (overall rmsd_b=6.24 and residual=1.12)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-9	6	44	44.9	24.52	1.00	5.93	16.8	56.22, 0.00, 20.41	44.9	0.50
	10-29	20	155	44.2	26.08	1.00	5.63	10.7	27.19, 0.00, 5.51	44.2	0.46
	30-51	22	192	44.4	23.35	1.00	6.19	10.3	0.02, 24.42, 12.87	44.4	0.52
	52-58	7	62	70.0	22.20	1.00	6.92	57.9	56.78, 0.00, 0.00	70.0	0.69
	59-75	17	143	37.4	14.62	1.00	7.08	25.9	25.14, 0.00, 11.03	37.4	0.66
	76-92	17	140	30.8	13.47	1.00	6.49	12.1	33.80, 0.00, 8.22	30.8	0.62
	93-131	39	311	25.9	10.53	1.00	7.10	16.4	36.02, 0.00, 0.44	25.9	0.72
	132-148	17	142	31.7	13.50	1.00	6.59	9.5	0.00, 23.93, 16.13	31.7	0.63
	149-160	12	99	27.0	11.87	1.00	5.50	16.2	29.70, 0.00, 0.00	27.0	0.64
	161-182	22	159	30.7	18.08	1.00	7.50	13.0	65.33, 3.28, 0.00	30.7	0.57

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=6.00 and residual=1.03)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-9	6	44	44.9	24.52	1.00	5.93	16.8	56.22, 0.00, 20.41	44.9	0.50
	10-29	20	155	44.2	26.08	1.00	5.63	10.7	27.19, 0.00, 5.51	44.2	0.46
	30-51	22	192	44.4	23.35	1.00	6.19	10.3	0.02, 24.42, 12.87	44.4	0.52
	52-58	7	62	70.0	22.20	1.00	6.92	57.9	56.78, 0.00, 0.00	70.0	0.69
	59-75	17	143	37.4	14.62	1.00	7.08	25.9	25.14, 0.00, 11.03	37.4	0.66
	76-92	17	140	30.8	13.47	1.00	6.49	12.1	33.80, 0.00, 8.22	30.8	0.62
	93-116	24	201	25.1	9.79	1.00	6.08	13.6	27.13, 0.75, 0.00	25.1	0.69
	117-131	15	110	27.4	11.62	1.00	6.32	15.1	40.82, 0.00, 2.01	27.4	0.66
	132-148	17	142	31.7	13.50	1.00	6.59	9.5	0.00, 23.93, 16.13	31.7	0.63
	149-160	12	99	27.0	11.87	1.00	5.50	16.2	29.70, 0.00, 0.00	27.0	0.64
	161-182	22	159	30.7	18.08	1.00	7.50	13.0	65.33, 3.28, 0.00	30.7	0.57

Summary of Optimal TLS Group Partition using 12 Groups
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Analysis of TLS Group 12 Chain Segments (overall rmsd_b=5.76 and residual=0.95)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-9	6	44	44.9	24.52	1.00	5.93	16.8	56.22, 0.00, 20.41	44.9	0.50
	10-29	20	155	44.2	26.08	1.00	5.63	10.7	27.19, 0.00, 5.51	44.2	0.46
	30-51	22	192	44.4	23.35	1.00	6.19	10.3	0.02, 24.42, 12.87	44.4	0.52
	52-58	7	62	70.0	22.20	1.00	6.92	57.9	56.78, 0.00, 0.00	70.0	0.69
	59-75	17	143	37.4	14.62	1.00	7.08	25.9	25.14, 0.00, 11.03	37.4	0.66
	76-92	17	140	30.8	13.47	1.00	6.49	12.1	33.80, 0.00, 8.22	30.8	0.62
	93-116	24	201	25.1	9.79	1.00	6.08	13.6	27.13, 0.75, 0.00	25.1	0.69
	117-131	15	110	27.4	11.62	1.00	6.32	15.1	40.82, 0.00, 2.01	27.4	0.66
	132-148	17	142	31.7	13.50	1.00	6.59	9.5	0.00, 23.93, 16.13	31.7	0.63
	149-159	11	88	28.3	11.80	1.00	5.43	6.1	26.03, 2.23, 0.00	28.3	0.66
	160-176	17	125	24.5	9.39	1.00	5.88	17.0	0.00, 54.00, 0.00	24.5	0.75
	177-182	6	45	44.5	25.88	1.00	5.63	14.0	87.99, 0.00, 14.67	44.5	0.47

Summary of Optimal TLS Group Partition using 13 Groups
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Analysis of TLS Group 13 Chain Segments (overall rmsd_b=5.59 and residual=0.90)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-9	6	44	44.9	24.52	1.00	5.93	16.8	56.22, 0.00, 20.41	44.9	0.50
	10-22	13	99	27.2	13.50	1.00	4.63	12.2	26.94, 7.24, 0.00	27.2	0.59
	23-31	9	72	67.5	16.73	1.00	5.60	28.4	0.00, 26.57, 32.97	67.5	0.73
	32-51	20	176	44.4	24.34	1.00	5.83	8.7	26.23, 13.14, 0.00	44.4	0.51
	52-58	7	62	70.0	22.20	1.00	6.92	57.9	56.78, 0.00, 0.00	70.0	0.69
	59-75	17	143	37.4	14.62	1.00	7.08	25.9	25.14, 0.00, 11.03	37.4	0.66
	76-92	17	140	30.8	13.47	1.00	6.49	12.1	33.80, 0.00, 8.22	30.8	0.62
	93-116	24	201	25.1	9.79	1.00	6.08	13.6	27.13, 0.75, 0.00	25.1	0.69
	117-131	15	110	27.4	11.62	1.00	6.32	15.1	40.82, 0.00, 2.01	27.4	0.66
	132-148	17	142	31.7	13.50	1.00	6.59	9.5	0.00, 23.93, 16.13	31.7	0.63
	149-159	11	88	28.3	11.80	1.00	5.43	6.1	26.03, 2.23, 0.00	28.3	0.66
	160-176	17	125	24.5	9.39	1.00	5.88	17.0	0.00, 54.00, 0.00	24.5	0.75
	177-182	6	45	44.5	25.88	1.00	5.63	14.0	87.99, 0.00, 14.67	44.5	0.47

Summary of Optimal TLS Group Partition using 14 Groups
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Analysis of TLS Group 14 Chain Segments (overall rmsd_b=5.41 and residual=0.84)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-9	6	44	44.9	24.52	1.00	5.93	16.8	56.22, 0.00, 20.41	44.9	0.50
	10-22	13	99	27.2	13.50	1.00	4.63	12.2	26.94, 7.24, 0.00	27.2	0.59
	23-31	9	72	67.5	16.73	1.00	5.60	28.4	0.00, 26.57, 32.97	67.5	0.73
	32-51	20	176	44.4	24.34	1.00	5.83	8.7	26.23, 13.14, 0.00	44.4	0.51
	52-58	7	62	70.0	22.20	1.00	6.92	57.9	56.78, 0.00, 0.00	70.0	0.69
	59-75	17	143	37.4	14.62	1.00	7.08	25.9	25.14, 0.00, 11.03	37.4	0.66
	76-80	5	41	33.0	14.70	1.00	4.08	26.4	0.00, 62.30, 0.00	33.0	0.60
	81-99	19	159	30.8	11.19	1.00	5.50	12.8	28.78, 0.00, 5.28	30.8	0.66
	100-116	17	141	21.9	8.91	1.00	6.29	16.4	29.27, 0.11, 0.00	21.9	0.74
	117-131	15	110	27.4	11.62	1.00	6.32	15.1	40.82, 0.00, 2.01	27.4	0.66
	132-148	17	142	31.7	13.50	1.00	6.59	9.5	0.00, 23.93, 16.13	31.7	0.63
	149-159	11	88	28.3	11.80	1.00	5.43	6.1	26.03, 2.23, 0.00	28.3	0.66
	160-176	17	125	24.5	9.39	1.00	5.88	17.0	0.00, 54.00, 0.00	24.5	0.75
	177-182	6	45	44.5	25.88	1.00	5.63	14.0	87.99, 0.00, 14.67	44.5	0.47

Summary of Optimal TLS Group Partition using 15 Groups
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Analysis of TLS Group 15 Chain Segments (overall rmsd_b=5.26 and residual=0.80)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-9	6	44	44.9	24.52	1.00	5.93	16.8	56.22, 0.00, 20.41	44.9	0.50
	10-22	13	99	27.2	13.50	1.00	4.63	12.2	26.94, 7.24, 0.00	27.2	0.59
	23-31	9	72	67.5	16.73	1.00	5.60	28.4	0.00, 26.57, 32.97	67.5	0.73
	32-51	20	176	44.4	24.34	1.00	5.83	8.7	26.23, 13.14, 0.00	44.4	0.51
	52-58	7	62	70.0	22.20	1.00	6.92	57.9	56.78, 0.00, 0.00	70.0	0.69
	59-63	5	47	40.3	14.35	1.00	3.68	21.1	43.62, 12.71, 0.00	40.3	0.65
	64-75	12	96	36.0	14.55	1.00	5.61	19.1	44.97, 11.05, 0.00	36.0	0.64
	76-80	5	41	33.0	14.70	1.00	4.08	26.4	0.00, 62.30, 0.00	33.0	0.60
	81-99	19	159	30.8	11.19	1.00	5.50	12.8	28.78, 0.00, 5.28	30.8	0.66
	100-116	17	141	21.9	8.91	1.00	6.29	16.4	29.27, 0.11, 0.00	21.9	0.74
	117-131	15	110	27.4	11.62	1.00	6.32	15.1	40.82, 0.00, 2.01	27.4	0.66
	132-148	17	142	31.7	13.50	1.00	6.59	9.5	0.00, 23.93, 16.13	31.7	0.63
	149-159	11	88	28.3	11.80	1.00	5.43	6.1	26.03, 2.23, 0.00	28.3	0.66
	160-176	17	125	24.5	9.39	1.00	5.88	17.0	0.00, 54.00, 0.00	24.5	0.75
	177-182	6	45	44.5	25.88	1.00	5.63	14.0	87.99, 0.00, 14.67	44.5	0.47

Summary of Optimal TLS Group Partition using 16 Groups
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Analysis of TLS Group 16 Chain Segments (overall rmsd_b=5.12 and residual=0.75)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-9	6	44	44.9	24.52	1.00	5.93	16.8	56.22, 0.00, 20.41	44.9	0.50
	10-22	13	99	27.2	13.50	1.00	4.63	12.2	26.94, 7.24, 0.00	27.2	0.59
	23-29	7	56	74.1	12.36	1.00	4.43	37.1	53.47, 10.62, 0.00	74.1	0.82
	30-45	16	134	34.3	13.93	1.00	4.98	15.7	0.00, 13.49, 19.31	34.3	0.62
	46-51	6	58	67.8	23.88	1.00	5.52	63.0	34.84, 0.00, 0.00	67.8	0.64
	52-58	7	62	70.0	22.20	1.00	6.92	57.9	56.78, 0.00, 0.00	70.0	0.69
	59-63	5	47	40.3	14.35	1.00	3.68	21.1	43.62, 12.71, 0.00	40.3	0.65
	64-75	12	96	36.0	14.55	1.00	5.61	19.1	44.97, 11.05, 0.00	36.0	0.64
	76-80	5	41	33.0	14.70	1.00	4.08	26.4	0.00, 62.30, 0.00	33.0	0.60
	81-99	19	159	30.8	11.19	1.00	5.50	12.8	28.78, 0.00, 5.28	30.8	0.66
	100-116	17	141	21.9	8.91	1.00	6.29	16.4	29.27, 0.11, 0.00	21.9	0.74
	117-131	15	110	27.4	11.62	1.00	6.32	15.1	40.82, 0.00, 2.01	27.4	0.66
	132-148	17	142	31.7	13.50	1.00	6.59	9.5	0.00, 23.93, 16.13	31.7	0.63
	149-159	11	88	28.3	11.80	1.00	5.43	6.1	26.03, 2.23, 0.00	28.3	0.66
	160-176	17	125	24.5	9.39	1.00	5.88	17.0	0.00, 54.00, 0.00	24.5	0.75
	177-182	6	45	44.5	25.88	1.00	5.63	14.0	87.99, 0.00, 14.67	44.5	0.47

Summary of Optimal TLS Group Partition using 17 Groups
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Analysis of TLS Group 17 Chain Segments (overall rmsd_b=4.98 and residual=0.71)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-9	6	44	44.9	24.52	1.00	5.93	16.8	56.22, 0.00, 20.41	44.9	0.50
	10-22	13	99	27.2	13.50	1.00	4.63	12.2	26.94, 7.24, 0.00	27.2	0.59
	23-29	7	56	74.1	12.36	1.00	4.43	37.1	53.47, 10.62, 0.00	74.1	0.82
	30-45	16	134	34.3	13.93	1.00	4.98	15.7	0.00, 13.49, 19.31	34.3	0.62
	46-51	6	58	67.8	23.88	1.00	5.52	63.0	34.84, 0.00, 0.00	67.8	0.64
	52-58	7	62	70.0	22.20	1.00	6.92	57.9	56.78, 0.00, 0.00	70.0	0.69
	59-63	5	47	40.3	14.35	1.00	3.68	21.1	43.62, 12.71, 0.00	40.3	0.65
	64-75	12	96	36.0	14.55	1.00	5.61	19.1	44.97, 11.05, 0.00	36.0	0.64
	76-80	5	41	33.0	14.70	1.00	4.08	26.4	0.00, 62.30, 0.00	33.0	0.60
	81-98	18	151	31.0	11.38	1.00	5.44	11.6	27.15, 0.00, 6.35	31.0	0.65
	99-108	10	84	24.8	8.08	1.00	4.79	18.7	33.27, 0.00, 0.00	24.8	0.76
	109-118	10	80	21.2	11.13	1.00	9.01	15.0	0.00, 61.30, 0.00	21.2	0.74
	119-135	17	131	25.8	9.82	1.00	6.09	18.4	0.00, 26.14, 0.00	25.8	0.69
	136-148	13	106	34.6	14.24	1.00	5.93	-2.5	29.22, 0.00, 12.03	34.6	0.66
	149-159	11	88	28.3	11.80	1.00	5.43	6.1	26.03, 2.23, 0.00	28.3	0.66
	160-176	17	125	24.5	9.39	1.00	5.88	17.0	0.00, 54.00, 0.00	24.5	0.75
	177-182	6	45	44.5	25.88	1.00	5.63	14.0	87.99, 0.00, 14.67	44.5	0.47

Summary of Optimal TLS Group Partition using 18 Groups
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Analysis of TLS Group 18 Chain Segments (overall rmsd_b=4.87 and residual=0.68)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-9	6	44	44.9	24.52	1.00	5.93	16.8	56.22, 0.00, 20.41	44.9	0.50
	10-22	13	99	27.2	13.50	1.00	4.63	12.2	26.94, 7.24, 0.00	27.2	0.59
	23-29	7	56	74.1	12.36	1.00	4.43	37.1	53.47, 10.62, 0.00	74.1	0.82
	30-45	16	134	34.3	13.93	1.00	4.98	15.7	0.00, 13.49, 19.31	34.3	0.62
	46-51	6	58	67.8	23.88	1.00	5.52	63.0	34.84, 0.00, 0.00	67.8	0.64
	52-58	7	62	70.0	22.20	1.00	6.92	57.9	56.78, 0.00, 0.00	70.0	0.69
	59-63	5	47	40.3	14.35	1.00	3.68	21.1	43.62, 12.71, 0.00	40.3	0.65
	64-75	12	96	36.0	14.55	1.00	5.61	19.1	44.97, 11.05, 0.00	36.0	0.64
	76-80	5	41	33.0	14.70	1.00	4.08	26.4	0.00, 62.30, 0.00	33.0	0.60
	81-98	18	151	31.0	11.38	1.00	5.44	11.6	27.15, 0.00, 6.35	31.0	0.65
	99-108	10	84	24.8	8.08	1.00	4.79	18.7	33.27, 0.00, 0.00	24.8	0.76
	109-118	10	80	21.2	11.13	1.00	9.01	15.0	0.00, 61.30, 0.00	21.2	0.74
	119-132	14	103	26.5	10.59	1.00	5.54	19.2	0.00, 38.29, 0.00	26.5	0.68
	133-144	12	99	30.7	9.88	1.00	5.09	19.3	0.00, 13.38, 40.98	30.7	0.72
	145-152	8	75	27.7	16.79	1.00	6.49	12.4	42.54, 2.28, 0.00	27.7	0.54
	153-160	8	59	31.8	12.59	1.00	4.98	10.0	33.76, 0.00, 5.91	31.8	0.63
	161-176	16	114	25.3	9.34	1.00	5.14	16.3	70.70, 0.00, 0.00	25.3	0.74
	177-182	6	45	44.5	25.88	1.00	5.63	14.0	87.99, 0.00, 14.67	44.5	0.47

Summary of Optimal TLS Group Partition using 19 Groups
Full TLS Partition Analysis View with Jmol Animate Screw Displacement with Jmol
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Analysis of TLS Group 19 Chain Segments (overall rmsd_b=4.77 and residual=0.65)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-9	6	44	44.9	24.52	1.00	5.93	16.8	56.22, 0.00, 20.41	44.9	0.50
	10-22	13	99	27.2	13.50	1.00	4.63	12.2	26.94, 7.24, 0.00	27.2	0.59
	23-29	7	56	74.1	12.36	1.00	4.43	37.1	53.47, 10.62, 0.00	74.1	0.82
	30-45	16	134	34.3	13.93	1.00	4.98	15.7	0.00, 13.49, 19.31	34.3	0.62
	46-51	6	58	67.8	23.88	1.00	5.52	63.0	34.84, 0.00, 0.00	67.8	0.64
	52-58	7	62	70.0	22.20	1.00	6.92	57.9	56.78, 0.00, 0.00	70.0	0.69
	59-63	5	47	40.3	14.35	1.00	3.68	21.1	43.62, 12.71, 0.00	40.3	0.65
	64-75	12	96	36.0	14.55	1.00	5.61	19.1	44.97, 11.05, 0.00	36.0	0.64
	76-80	5	41	33.0	14.70	1.00	4.08	26.4	0.00, 62.30, 0.00	33.0	0.60
	81-98	18	151	31.0	11.38	1.00	5.44	11.6	27.15, 0.00, 6.35	31.0	0.65
	99-108	10	84	24.8	8.08	1.00	4.79	18.7	33.27, 0.00, 0.00	24.8	0.76
	109-118	10	80	21.2	11.13	1.00	9.01	15.0	0.00, 61.30, 0.00	21.2	0.74
	119-127	9	64	26.2	9.81	1.00	3.96	18.8	22.02, 0.38, 0.00	26.2	0.66
	128-133	6	47	27.2	10.73	1.00	4.42	18.5	106.99, 6.04, 0.00	27.2	0.67
	134-145	12	100	32.4	11.42	1.00	5.36	14.4	0.00, 19.57, 29.74	32.4	0.70
	146-152	7	66	25.0	15.53	1.00	6.32	8.9	41.67, 3.36, 0.00	25.0	0.57
	153-160	8	59	31.8	12.59	1.00	4.98	10.0	33.76, 0.00, 5.91	31.8	0.63
	161-176	16	114	25.3	9.34	1.00	5.14	16.3	70.70, 0.00, 0.00	25.3	0.74
	177-182	6	45	44.5	25.88	1.00	5.63	14.0	87.99, 0.00, 14.67	44.5	0.47

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=4.67 and residual=0.63)
Input Structure							TLS Predictions
Color	Segment	Residues	Atoms	<B>	B_rmsd	<Aniso>	RMSD B	T^r `B`	eval(L) `DEG²`	<B>	<Aniso>
	4-9	6	44	44.9	24.52	1.00	5.93	16.8	56.22, 0.00, 20.41	44.9	0.50
	10-22	13	99	27.2	13.50	1.00	4.63	12.2	26.94, 7.24, 0.00	27.2	0.59
	23-29	7	56	74.1	12.36	1.00	4.43	37.1	53.47, 10.62, 0.00	74.1	0.82
	30-35	6	55	29.1	13.29	1.00	4.57	1.5	27.70, 0.00, 4.16	29.1	0.59
	36-47	12	99	38.9	12.84	1.00	4.41	21.9	36.02, 14.22, 0.00	38.9	0.69
	48-52	5	47	87.2	20.30	1.00	6.93	78.6	0.00, 78.32, 0.00	87.2	0.76
	53-58	6	53	62.7	14.14	1.00	4.70	54.8	50.58, 0.00, 0.00	62.7	0.78
	59-63	5	47	40.3	14.35	1.00	3.68	21.1	43.62, 12.71, 0.00	40.3	0.65
	64-75	12	96	36.0	14.55	1.00	5.61	19.1	44.97, 11.05, 0.00	36.0	0.64
	76-80	5	41	33.0	14.70	1.00	4.08	26.4	0.00, 62.30, 0.00	33.0	0.60
	81-98	18	151	31.0	11.38	1.00	5.44	11.6	27.15, 0.00, 6.35	31.0	0.65
	99-108	10	84	24.8	8.08	1.00	4.79	18.7	33.27, 0.00, 0.00	24.8	0.76
	109-118	10	80	21.2	11.13	1.00	9.01	15.0	0.00, 61.30, 0.00	21.2	0.74
	119-127	9	64	26.2	9.81	1.00	3.96	18.8	22.02, 0.38, 0.00	26.2	0.66
	128-133	6	47	27.2	10.73	1.00	4.42	18.5	106.99, 6.04, 0.00	27.2	0.67
	134-145	12	100	32.4	11.42	1.00	5.36	14.4	0.00, 19.57, 29.74	32.4	0.70
	146-152	7	66	25.0	15.53	1.00	6.32	8.9	41.67, 3.36, 0.00	25.0	0.57
	153-160	8	59	31.8	12.59	1.00	4.98	10.0	33.76, 0.00, 5.91	31.8	0.63
	161-176	16	114	25.3	9.34	1.00	5.14	16.3	70.70, 0.00, 0.00	25.3	0.74
	177-182	6	45	44.5	25.88	1.00	5.63	14.0	87.99, 0.00, 14.67	44.5	0.47

26 Mar 2010

JobID: TLSMD7770_nGcUBtSa

TLSMD Version 1.4.1 Released 11 February 2010