Warning: no access to tty (Bad file descriptor). Thus no job control in this shell. 15-Nov-2005 17:13:54 LAM 6.5.9/MPI 2 C++/ROMIO - Indiana University Executing hboot on n0 (cesg-node13.biochem.wisc.edu - 2 CPUs)... Executing hboot on n1 (cesg-node12.biochem.wisc.edu - 2 CPUs)... Executing hboot on n2 (cesg-node11.biochem.wisc.edu - 2 CPUs)... Executing hboot on n3 (cesg-node10.biochem.wisc.edu - 2 CPUs)... Executing hboot on n4 (cesg-node9.biochem.wisc.edu - 2 CPUs)... Executing hboot on n5 (cesg-node8.biochem.wisc.edu - 2 CPUs)... Executing hboot on n6 (cesg-node7.biochem.wisc.edu - 2 CPUs)... Executing hboot on n7 (cesg-node6.biochem.wisc.edu - 2 CPUs)... Executing hboot on n8 (cesg-node5.biochem.wisc.edu - 2 CPUs)... Executing hboot on n9 (cesg-node4.biochem.wisc.edu - 2 CPUs)... topology n0 (o)... n1... n2... n3... n4... n5... n6... n7... n8... n9... done ___________________________________________________________________ CYANA 2.1 (intel-lam) Copyright (c) 2002-05 Peter Guntert. All rights reserved. ___________________________________________________________________ Library file "/s/src/cyana-2.1/lib/cyana.lib" read, 37 residue types. Sequence file "znf42.seq" read, 219 residues. Symmetric dimer: Molecule 1: residues 35..128 Molecule 2: residues 335..428 403 identity constraints created. 8836 symmetry constraints created. cyana> cyana> cyana> - znf42: peakcheck peaks=c13no,n15no,c13ar,fc12no,c13nob,n15nob,c13arb,fc12nob pr ot=znf42 ------------------------------------------------------------ Proton list: znf42 - peakcheck: read prot znf42 unknown=warn Chemical shift list "znf42.prot" read, 1980 chemical shifts. - peakcheck: shifts missing "H* Q* - HYDROXYL - AMIDE + H HN / &H_* &PSEUD" Residue missing shifts GLY 35 H QA SER 36 H HA QB ASP 37 H CYS 49 HG PHE 50 HZ CYS 69 HG LEU 84 QD2 GLY 335 H QA SER 336 H HA QB ASP 337 H CYS 349 HG PHE 350 HZ CYS 369 HG LEU 384 QD2 20 missing chemical shifts, completeness 98.0%. ------------------------------------------------------------ Peak list : c13no Proton list: znf42 - peakcheck: read prot znf42 unknown=skip Chemical shift list "znf42.prot" read, 1980 chemical shifts. - peakcheck: read peaks c13no format= Peak list "c13no.peaks" read, 3503 peaks, 2971 assignments. - peakcheck: atom shift unusual Atom Shift Dev Mean +/- Minimum Maximum HG3 ARG 44 -0.750 5.11 1.50 0.44 -0.72 3.30 NE ARG 44 113.446 16.64 84.33 1.75 78.96 89.30 NE ARG 48 118.117 19.31 84.33 1.75 78.96 89.30 NE ARG 66 116.949 18.64 84.33 1.75 78.96 89.30 QD2 LEU 73 -0.640 4.25 0.72 0.32 -1.03 1.31 HG3 ARG 344 -0.750 5.11 1.50 0.44 -0.72 3.30 NE ARG 344 113.446 16.64 84.33 1.75 78.96 89.30 NE ARG 348 118.117 19.31 84.33 1.75 78.96 89.30 NE ARG 366 116.949 18.64 84.33 1.75 78.96 89.30 QD2 LEU 373 -0.640 4.25 0.72 0.32 -1.03 1.31 10 shifts outside expected range. - peakcheck: peaks fit Deviations from chemical shift list: Dim Peaks Median Average Maximum RMSD Number Tolerance 1 2971 0.000 0.002 0.030 0.009 0 0.030 2 3321 0.000 0.000 0.029 0.003 0 0.030 3 3321 0.000 0.000 0.297 0.031 0 0.450 - peakcheck: atom shift check Atom Residue Shift Median Deviation Peaks 0 shifts with spread larger than tolerance. - peakcheck: peak deviations Peak Dim Deviation Atom Residue 0 deviations larger than tolerance. ------------------------------------------------------------ Peak list : n15no Proton list: znf42 - peakcheck: read prot znf42 unknown=skip Chemical shift list "znf42.prot" read, 1980 chemical shifts. - peakcheck: read peaks n15no format= Peak list "n15no.peaks" read, 1291 peaks, 1090 assignments. - peakcheck: peaks fit Deviations from chemical shift list: Dim Peaks Median Average Maximum RMSD Number Tolerance 1 1090 0.002 0.002 0.030 0.011 0 0.030 2 1225 0.000 0.000 0.011 0.001 0 0.030 3 1225 0.000 0.000 0.234 0.016 0 0.450 - peakcheck: atom shift check Atom Residue Shift Median Deviation Peaks 0 shifts with spread larger than tolerance. - peakcheck: peak deviations Peak Dim Deviation Atom Residue 0 deviations larger than tolerance. ------------------------------------------------------------ Peak list : c13ar Proton list: znf42 - peakcheck: read prot znf42 unknown=skip Chemical shift list "znf42.prot" read, 1980 chemical shifts. - peakcheck: read peaks c13ar format= Peak list "c13ar.peaks" read, 281 peaks, 222 assignments. - peakcheck: peaks fit Deviations from chemical shift list: Dim Peaks Median Average Maximum RMSD Number Tolerance 1 222 0.004 0.005 0.030 0.013 0 0.030 2 280 0.000 0.000 0.000 0.000 0 0.030 3 280 0.000 0.000 0.000 0.000 0 0.450 - peakcheck: atom shift check Atom Residue Shift Median Deviation Peaks 0 shifts with spread larger than tolerance. - peakcheck: peak deviations Peak Dim Deviation Atom Residue 0 deviations larger than tolerance. ------------------------------------------------------------ Peak list : fc12no Proton list: znf42 - peakcheck: read prot znf42 unknown=skip Chemical shift list "znf42.prot" read, 1980 chemical shifts. - peakcheck: read peaks fc12no format= Peak list "fc12no.peaks" read, 227 peaks, 147 assignments. - peakcheck: peaks fit Deviations from chemical shift list: Dim Peaks Median Average Maximum RMSD Number Tolerance 1 147 0.000 -0.001 0.029 0.016 0 0.030 2 161 0.000 0.000 0.014 0.005 0 0.030 3 161 0.000 -0.005 0.297 0.035 0 0.450 - peakcheck: atom shift check Atom Residue Shift Median Deviation Peaks 0 shifts with spread larger than tolerance. - peakcheck: peak deviations Peak Dim Deviation Atom Residue 0 deviations larger than tolerance. ------------------------------------------------------------ Peak list : c13nob Proton list: znf42 - peakcheck: read prot znf42 unknown=skip Chemical shift list "znf42.prot" read, 1980 chemical shifts. - peakcheck: read peaks c13nob format= Peak list "c13nob.peaks" read, 3503 peaks, 2971 assignments. - peakcheck: peaks fit Deviations from chemical shift list: Dim Peaks Median Average Maximum RMSD Number Tolerance 1 2971 0.000 0.002 0.030 0.009 0 0.030 2 3321 0.000 0.000 0.029 0.003 0 0.030 3 3321 0.000 0.000 0.297 0.031 0 0.450 - peakcheck: atom shift check Atom Residue Shift Median Deviation Peaks 0 shifts with spread larger than tolerance. - peakcheck: peak deviations Peak Dim Deviation Atom Residue 0 deviations larger than tolerance. ------------------------------------------------------------ Peak list : n15nob Proton list: znf42 - peakcheck: read prot znf42 unknown=skip Chemical shift list "znf42.prot" read, 1980 chemical shifts. - peakcheck: read peaks n15nob format= Peak list "n15nob.peaks" read, 1291 peaks, 1090 assignments. - peakcheck: peaks fit Deviations from chemical shift list: Dim Peaks Median Average Maximum RMSD Number Tolerance 1 1090 0.002 0.002 0.030 0.011 0 0.030 2 1225 0.000 0.000 0.011 0.001 0 0.030 3 1225 0.000 0.000 0.234 0.016 0 0.450 - peakcheck: atom shift check Atom Residue Shift Median Deviation Peaks 0 shifts with spread larger than tolerance. - peakcheck: peak deviations Peak Dim Deviation Atom Residue 0 deviations larger than tolerance. ------------------------------------------------------------ Peak list : c13arb Proton list: znf42 - peakcheck: read prot znf42 unknown=skip Chemical shift list "znf42.prot" read, 1980 chemical shifts. - peakcheck: read peaks c13arb format= Peak list "c13arb.peaks" read, 281 peaks, 222 assignments. - peakcheck: peaks fit Deviations from chemical shift list: Dim Peaks Median Average Maximum RMSD Number Tolerance 1 222 0.004 0.005 0.030 0.013 0 0.030 2 280 0.000 0.000 0.000 0.000 0 0.030 3 280 0.000 0.000 0.000 0.000 0 0.450 - peakcheck: atom shift check Atom Residue Shift Median Deviation Peaks 0 shifts with spread larger than tolerance. - peakcheck: peak deviations Peak Dim Deviation Atom Residue 0 deviations larger than tolerance. ------------------------------------------------------------ Peak list : fc12nob Proton list: znf42 - peakcheck: read prot znf42 unknown=skip Chemical shift list "znf42.prot" read, 1980 chemical shifts. - peakcheck: read peaks fc12nob format= Peak list "fc12nob.peaks" read, 227 peaks, 147 assignments. - peakcheck: peaks fit Deviations from chemical shift list: Dim Peaks Median Average Maximum RMSD Number Tolerance 1 147 0.000 -0.001 0.029 0.016 0 0.030 2 161 0.000 0.000 0.014 0.005 0 0.030 3 161 0.000 -0.005 0.297 0.035 0 0.450 - peakcheck: atom shift check Atom Residue Shift Median Deviation Peaks 0 shifts with spread larger than tolerance. - peakcheck: peak deviations Peak Dim Deviation Atom Residue 0 deviations larger than tolerance. - znf42: calibration prot=znf42 peaks=c13no,n15no,c13ar,fc12no,c13nob,n15nob,c13a rb,fc12nob constant=3.0E7,1.2E7,2.0E7,1.0E7,3.0E7,1.2E7,2.0E7,1.0E7 dref=4. 2 - calibration: read prot znf42 unknown=warn Chemical shift list "znf42.prot" read, 1980 chemical shifts. - calibration: read peaks c13no format= Peak list "c13no.peaks" read, 3503 peaks, 2971 assignments. - calibration: peaks select "** list=1" 3503 of 3503 peaks, 3503 of 3503 assignments selected. - calibration: peaks set volume=abs(volume) Volume of 3503 peaks set. - calibration: peaks simplecal constant=3.0E7 Calibration constant for peak list 1: 3.00E+07 Upper limit set for 3503 peaks. - calibration: caltab peaks Distance bounds: -2.99 A: 326 9.3% 3.00-3.99 A: 771 22.0% 4.00-4.99 A: 1391 39.7% 5.00-5.99 A: 1013 28.9% 6.00- A: 0 0.0% All: 3503 100.0% - calibration: read prot znf42 unknown=warn append Chemical shift list "znf42.prot" read, 1980 chemical shifts. - calibration: read peaks n15no format= append Peak list "n15no.peaks" read, 1291 peaks, 1090 assignments. - calibration: peaks select "** list=2" 1291 of 4794 peaks, 1291 of 4794 assignments selected. - calibration: peaks set volume=abs(volume) Volume of 1291 peaks set. - calibration: peaks simplecal constant=1.2E7 Calibration constant for peak list 2: 1.20E+07 Upper limit set for 1291 peaks. - calibration: caltab peaks Distance bounds: -2.99 A: 93 7.2% 3.00-3.99 A: 340 26.3% 4.00-4.99 A: 500 38.7% 5.00-5.99 A: 356 27.6% 6.00- A: 0 0.0% All: 1291 100.0% - calibration: read prot znf42 unknown=warn append Chemical shift list "znf42.prot" read, 1980 chemical shifts. - calibration: read peaks c13ar format= append Peak list "c13ar.peaks" read, 281 peaks, 222 assignments. - calibration: peaks select "** list=3" 281 of 5075 peaks, 281 of 5075 assignments selected. - calibration: peaks set volume=abs(volume) Volume of 281 peaks set. - calibration: peaks simplecal constant=2.0E7 Calibration constant for peak list 3: 2.00E+07 Upper limit set for 281 peaks. - calibration: caltab peaks Distance bounds: -2.99 A: 21 7.5% 3.00-3.99 A: 57 20.3% 4.00-4.99 A: 161 57.3% 5.00-5.99 A: 42 14.9% 6.00- A: 0 0.0% All: 281 100.0% - calibration: read prot znf42 unknown=warn append Chemical shift list "znf42.prot" read, 1980 chemical shifts. - calibration: read peaks fc12no format= append Peak list "fc12no.peaks" read, 227 peaks, 147 assignments. - calibration: peaks select "** list=4" 227 of 5302 peaks, 227 of 5302 assignments selected. - calibration: peaks set volume=abs(volume) Volume of 227 peaks set. - calibration: peaks simplecal constant=1.0E7 Calibration constant for peak list 4: 1.00E+07 Upper limit set for 227 peaks. - calibration: caltab peaks Distance bounds: -2.99 A: 1 0.4% 3.00-3.99 A: 50 22.0% 4.00-4.99 A: 157 69.2% 5.00-5.99 A: 19 8.4% 6.00- A: 0 0.0% All: 227 100.0% - calibration: read prot znf42 unknown=warn append Chemical shift list "znf42.prot" read, 1980 chemical shifts. - calibration: read peaks c13nob format= append Peak list "c13nob.peaks" read, 3503 peaks, 2971 assignments. - calibration: peaks select "** list=5" 3503 of 8805 peaks, 3503 of 8805 assignments selected. - calibration: peaks set volume=abs(volume) Volume of 3503 peaks set. - calibration: peaks simplecal constant=3.0E7 Calibration constant for peak list 5: 3.00E+07 Upper limit set for 3503 peaks. - calibration: caltab peaks Distance bounds: -2.99 A: 326 9.3% 3.00-3.99 A: 771 22.0% 4.00-4.99 A: 1391 39.7% 5.00-5.99 A: 1013 28.9% 6.00- A: 0 0.0% All: 3503 100.0% - calibration: read prot znf42 unknown=warn append Chemical shift list "znf42.prot" read, 1980 chemical shifts. - calibration: read peaks n15nob format= append Peak list "n15nob.peaks" read, 1291 peaks, 1090 assignments. - calibration: peaks select "** list=6" 1291 of 10096 peaks, 1291 of 10096 assignments selected. - calibration: peaks set volume=abs(volume) Volume of 1291 peaks set. - calibration: peaks simplecal constant=1.2E7 Calibration constant for peak list 6: 1.20E+07 Upper limit set for 1291 peaks. - calibration: caltab peaks Distance bounds: -2.99 A: 93 7.2% 3.00-3.99 A: 340 26.3% 4.00-4.99 A: 500 38.7% 5.00-5.99 A: 356 27.6% 6.00- A: 0 0.0% All: 1291 100.0% - calibration: read prot znf42 unknown=warn append Chemical shift list "znf42.prot" read, 1980 chemical shifts. - calibration: read peaks c13arb format= append Peak list "c13arb.peaks" read, 281 peaks, 222 assignments. - calibration: peaks select "** list=7" 281 of 10377 peaks, 281 of 10377 assignments selected. - calibration: peaks set volume=abs(volume) Volume of 281 peaks set. - calibration: peaks simplecal constant=2.0E7 Calibration constant for peak list 7: 2.00E+07 Upper limit set for 281 peaks. - calibration: caltab peaks Distance bounds: -2.99 A: 21 7.5% 3.00-3.99 A: 57 20.3% 4.00-4.99 A: 161 57.3% 5.00-5.99 A: 42 14.9% 6.00- A: 0 0.0% All: 281 100.0% - calibration: read prot znf42 unknown=warn append Chemical shift list "znf42.prot" read, 1980 chemical shifts. - calibration: read peaks fc12nob format= append Peak list "fc12nob.peaks" read, 227 peaks, 147 assignments. - calibration: peaks select "** list=8" 227 of 10604 peaks, 227 of 10604 assignments selected. - calibration: peaks set volume=abs(volume) Volume of 227 peaks set. - calibration: peaks simplecal constant=1.0E7 Calibration constant for peak list 8: 1.00E+07 Upper limit set for 227 peaks. - calibration: caltab peaks Distance bounds: -2.99 A: 1 0.4% 3.00-3.99 A: 50 22.0% 4.00-4.99 A: 157 69.2% 5.00-5.99 A: 19 8.4% 6.00- A: 0 0.0% All: 227 100.0% - calibration: peaks select ** 10604 of 10604 peaks, 10604 of 10604 assignments selected. - znf42: peaks calibrate ** simple 7948 upper limits added, 18/938 at lower/upper bound, average 4.46 A. - znf42: write upl znf42-in.upl Distance constraint file "znf42-in.upl" written, 7948 upper limits, 7948 assignments. - znf42: distance modify Number of modified constraints: 3968 - znf42: write upl znf42.upl Distance constraint file "znf42.upl" written, 3968 upper limits, 3968 assignments. - znf42: ./init - init: read lib /s/src/cyana-2.1/lib/cyana.lib Library file "/s/src/cyana-2.1/lib/cyana.lib" read, 37 residue types. - init: read seq znf42.seq Sequence file "znf42.seq" read, 219 residues. - init: molecules define 35..128 335..428 Symmetric dimer: Molecule 1: residues 35..128 Molecule 2: residues 335..428 - init: molecule identity 403 identity constraints created. - init: molecule symdist "CA 35..128" "CA 335..428" 8836 symmetry constraints created. - znf42: read upl znf42.upl Distance constraint file "znf42.upl" read, 3968 upper limits, 3968 assignments. - znf42: read aco znf42.aco Angle constraint file "znf42.aco" read, 267 constraints for 267 angles. - znf42: calc_all structures=100 command=anneal steps=10000 100 structures selected. 100 random structures created (seed 35671). Structure annealed in 150 s, f = 43.9992. Structure annealed in 148 s, f = 25.4527. Structure annealed in 152 s, f = 24.1462. Structure annealed in 152 s, f = 115.108. Structure annealed in 152 s, f = 23.0929. Structure annealed in 153 s, f = 24.0361. Structure annealed in 151 s, f = 24.3497. Structure annealed in 152 s, f = 23.8861. Structure annealed in 149 s, f = 28.8693. Structure annealed in 151 s, f = 22.7541. Structure annealed in 146 s, f = 22.1455. Structure annealed in 130 s, f = 25.4883. Structure annealed in 146 s, f = 22.4801. Structure annealed in 150 s, f = 20.7612. Structure annealed in 146 s, f = 21.6344. Structure annealed in 149 s, f = 23.3192. Structure annealed in 150 s, f = 25.3698. Structure annealed in 150 s, f = 22.5320. Structure annealed in 155 s, f = 26.5452. Structure annealed in 154 s, f = 109.325. Structure annealed in 128 s, f = 23.3030. Structure annealed in 149 s, f = 24.6737. Structure annealed in 148 s, f = 32.1108. Structure annealed in 148 s, f = 23.9935. Structure annealed in 149 s, f = 24.4522. Structure annealed in 149 s, f = 22.4447. Structure annealed in 150 s, f = 25.8043. Structure annealed in 151 s, f = 27.6157. Structure annealed in 152 s, f = 206.326. Structure annealed in 151 s, f = 23.5241. Structure annealed in 151 s, f = 28.3924. Structure annealed in 145 s, f = 24.3996. Structure annealed in 148 s, f = 111.956. Structure annealed in 151 s, f = 22.8242. Structure annealed in 151 s, f = 23.3932. Structure annealed in 150 s, f = 23.7231. Structure annealed in 151 s, f = 25.9651. Structure annealed in 151 s, f = 30.8011. Structure annealed in 150 s, f = 27.9817. Structure annealed in 130 s, f = 23.8083. Structure annealed in 145 s, f = 21.9047. Structure annealed in 147 s, f = 22.6244. Structure annealed in 151 s, f = 24.3864. Structure annealed in 146 s, f = 25.2502. Structure annealed in 149 s, f = 24.0425. Structure annealed in 152 s, f = 23.4644. Structure annealed in 150 s, f = 23.6728. Structure annealed in 147 s, f = 25.9202. Structure annealed in 149 s, f = 20.0271. Structure annealed in 149 s, f = 25.8888. Structure annealed in 152 s, f = 23.9104. Structure annealed in 153 s, f = 22.3595. Structure annealed in 149 s, f = 23.5650. Structure annealed in 150 s, f = 22.3035. Structure annealed in 150 s, f = 23.2989. Structure annealed in 149 s, f = 25.0327. Structure annealed in 162 s, f = 373.376. Structure annealed in 154 s, f = 27.7485. Structure annealed in 149 s, f = 25.0311. Structure annealed in 128 s, f = 24.1467. Structure annealed in 149 s, f = 24.0276. Structure annealed in 143 s, f = 25.8937. Structure annealed in 148 s, f = 204.546. Structure annealed in 157 s, f = 696.251. Structure annealed in 151 s, f = 24.5622. Structure annealed in 150 s, f = 23.1140. Structure annealed in 149 s, f = 27.0820. Structure annealed in 152 s, f = 23.6433. Structure annealed in 152 s, f = 23.8494. Structure annealed in 146 s, f = 24.5982. Structure annealed in 150 s, f = 21.7716. Structure annealed in 149 s, f = 21.9485. Structure annealed in 150 s, f = 22.8456. Structure annealed in 151 s, f = 22.6881. Structure annealed in 150 s, f = 24.0888. Structure annealed in 150 s, f = 24.3214. Structure annealed in 152 s, f = 24.7351. Structure annealed in 150 s, f = 23.8544. Structure annealed in 140 s, f = 24.0507. Structure annealed in 129 s, f = 23.4069. Structure annealed in 146 s, f = 23.8004. Structure annealed in 148 s, f = 29.0691. Structure annealed in 150 s, f = 24.9694. Structure annealed in 153 s, f = 20.5797. Structure annealed in 150 s, f = 203.846. Structure annealed in 149 s, f = 28.1240. Structure annealed in 151 s, f = 25.5268. Structure annealed in 148 s, f = 28.1356. Structure annealed in 152 s, f = 28.9879. Structure annealed in 148 s, f = 23.0163. Structure annealed in 149 s, f = 23.0791. Structure annealed in 145 s, f = 20.4845. Structure annealed in 150 s, f = 22.1177. Structure annealed in 151 s, f = 29.6122. Structure annealed in 150 s, f = 24.5255. Structure annealed in 152 s, f = 120.037. Structure annealed in 151 s, f = 24.5998. Structure annealed in 148 s, f = 25.3931. Structure annealed in 125 s, f = 27.1875. Structure annealed in 114 s, f = 31.4581. 100 structures finished in 860 s (8 s/structure). - znf42: overview znf42.ovw structures=20 pdb Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 20.03 76 0.0301 0.76 14 26.3 0.28 8 1.6928 10.45 2 20.48 80 0.0298 0.75 20 29.5 0.31 9 1.6180 9.52 3 20.58 71 0.0300 0.77 18 27.5 0.30 9 1.7334 9.84 4 20.76 78 0.0304 0.77 19 29.9 0.30 9 1.6662 9.96 5 21.63 80 0.0304 0.79 15 29.1 0.32 10 1.7426 8.85 6 21.77 73 0.0302 0.76 16 29.6 0.31 6 1.6957 9.52 7 21.90 85 0.0309 0.79 17 31.2 0.35 7 1.7269 9.53 8 21.95 78 0.0312 0.81 21 31.0 0.36 14 1.8336 9.94 9 22.12 85 0.0317 0.76 13 29.8 0.33 10 1.8693 11.09 10 22.15 81 0.0309 0.76 13 29.9 0.31 10 1.7657 10.25 11 22.30 92 0.0311 0.78 14 28.8 0.30 8 1.5994 8.69 12 22.36 70 0.0307 0.76 17 31.6 0.31 8 1.6137 9.86 13 22.44 90 0.0312 0.76 15 28.7 0.31 10 1.7541 9.38 14 22.48 93 0.0315 0.76 22 32.3 0.30 6 1.5596 9.30 15 22.53 82 0.0305 0.75 17 31.7 0.33 8 1.6844 8.95 16 22.62 84 0.0312 0.77 14 30.5 0.35 11 1.7342 9.34 17 22.69 79 0.0323 0.74 18 30.4 0.30 8 1.7007 8.84 18 22.75 81 0.0306 0.77 20 30.3 0.33 9 1.8168 10.37 19 22.82 82 0.0316 0.78 12 29.1 0.33 8 1.7064 9.47 20 22.85 87 0.0309 0.76 17 31.2 0.32 5 1.5739 9.10 Ave 21.96 81 0.0309 0.77 17 29.9 0.32 9 1.7044 9.61 +/- 0.83 6 0.0006 0.02 3 1.4 0.02 2 0.0816 0.60 Min 20.03 70 0.0298 0.74 12 26.3 0.28 5 1.5596 8.69 Max 22.85 93 0.0323 0.81 22 32.3 0.36 14 1.8693 11.09 Cut 0.20 0.20 5.00 Overview file "znf42.ovw" written. PDB coordinate file "znf42.pdb" written, 20 conformers. - znf42: ramaplot znf42.rama nobackground label Struct fav add gen dis ------ --- --- --- --- 1 131 21 0 0 2 134 18 0 0 3 136 16 0 0 4 132 20 0 0 5 138 14 0 0 6 133 17 2 0 7 137 15 0 0 8 134 16 2 0 9 134 18 0 0 10 136 14 0 2 (GLU 125, GLU 425) 11 136 16 0 0 12 138 14 0 0 13 134 16 0 2 (GLU 125, GLU 425) 14 138 14 0 0 15 136 16 0 0 16 138 14 0 0 17 136 16 0 0 18 142 8 2 0 19 137 15 0 0 20 140 12 0 0 all 89.5% 10.2% 0.2% 0.1% Postscript file "znf42.rama" written. cyana> LAM 6.5.9/MPI 2 C++/ROMIO - Indiana University 15-Nov-2005 17:30:18