PROCHECK-NMR. PROCHECK v.3.5.4 (Feb 2001) ----------------------------------------- Coordinates file: [ PSR293_R3_em_bcr3.pdb ] Ranges file: [ PSR293_R3_em_bcr3.ressel ] Program directory: /farm/software/procheck/ Running clean-up on file: PSR293_R3_em_bcr3.pdb ** Unrecognized atom type [ O2 ] in residue HIS A 125 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 14 PHE A 25 TYR A 40 TYR A 84 ** Unrecognized atom type [ O2 ] in residue HIS A 125 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 14 PHE A 25 PHE A 31 TYR A 40 TYR A 84 ** Unrecognized atom type [ O2 ] in residue HIS A 125 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 14 PHE A 25 PHE A 31 ** Unrecognized atom type [ O2 ] in residue HIS A 125 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 14 PHE A 25 PHE A 31 TYR A 84 ** Unrecognized atom type [ O2 ] in residue HIS A 125 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 14 PHE A 25 PHE A 31 ** Unrecognized atom type [ O2 ] in residue HIS A 125 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 14 PHE A 25 TYR A 81 TYR A 84 ** Unrecognized atom type [ O2 ] in residue HIS A 125 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 25 TYR A 40 TYR A 84 PHE A 113 ** Unrecognized atom type [ O2 ] in residue HIS A 125 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 14 PHE A 25 TYR A 81 ** Unrecognized atom type [ O2 ] in residue HIS A 125 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 14 PHE A 25 TYR A 40 TYR A 81 ** Unrecognized atom type [ O2 ] in residue HIS A 125 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 14 PHE A 25 TYR A 40 TYR A 84 ** Unrecognized atom type [ O2 ] in residue HIS A 125 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 14 PHE A 25 PHE A 31 TYR A 81 ** Unrecognized atom type [ O2 ] in residue HIS A 125 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 25 PHE A 31 TYR A 81 TYR A 84 PHE A 113 ** Unrecognized atom type [ O2 ] in residue HIS A 125 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 25 TYR A 84 ** Unrecognized atom type [ O2 ] in residue HIS A 125 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 6 TYR A 14 PHE A 25 TYR A 81 TYR A 84 ** Unrecognized atom type [ O2 ] in residue HIS A 125 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 14 PHE A 25 PHE A 31 ** Unrecognized atom type [ O2 ] in residue HIS A 125 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 14 PHE A 25 PHE A 31 ** Unrecognized atom type [ O2 ] in residue HIS A 125 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 14 PHE A 25 TYR A 40 TYR A 84 ** Unrecognized atom type [ O2 ] in residue HIS A 125 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 9 PHE A 25 PHE A 31 TYR A 81 TYR A 84 ** Unrecognized atom type [ O2 ] in residue HIS A 125 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 14 PHE A 25 ** Unrecognized atom type [ O2 ] in residue HIS A 125 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 25 TYR A 81 TYR A 84 * NMR ensemble comprises 20 model structures * Program completed ................................................................. Secondary structure assignment * NMR ensemble comprises 20 model structures * Program completed .................................................................. RMS deviations for ensemble * Program completed .................................................................. Phi-psi and chi1-chi2 distributions * * * Model and residue ranges selected in file: PSR293_R3_em_bcr3.ressel * ------------------------------------------ * * ALL models in the ensemble * * From residue 2 in chain [A] to residue 36 in chain [A] * From residue 40 in chain [A] to residue 53 in chain [A] * From residue 57 in chain [A] to residue 83 in chain [A] * From residue 90 in chain [A] to residue 99 in chain [A] * From residue 101 in chain [A] to residue 116 in chain [A] * Main Ramachandran plot * File: PSR293_R3_em_bcr3_01_ramachand.ps All-residue Ramachandran plots * File: PSR293_R3_em_bcr3_02_allramach.ps All-residue chi1-chi2 plots * File: PSR293_R3_em_bcr3_03_chi1_chi2.ps * Program complete .................................................................. Dihedral angle distributions and quality plots * * * Model and residue ranges selected in file: PSR293_R3_em_bcr3.ressel * ------------------------------------------ * * ALL models in the ensemble * * From residue 2 in chain [A] to residue 36 in chain [A] * From residue 40 in chain [A] to residue 53 in chain [A] * From residue 57 in chain [A] to residue 83 in chain [A] * From residue 90 in chain [A] to residue 99 in chain [A] * From residue 101 in chain [A] to residue 116 in chain [A] * **** No torsion angle restraints found Phi angle distributions * File: PSR293_R3_em_bcr3_04_phidistrb.ps Psi angle distributions * File: PSR293_R3_em_bcr3_05_psidistrb.ps Chi-1 angle distributions * File: PSR293_R3_em_bcr3_06_ch1distrb.ps Chi-2 angle distributions * File: PSR293_R3_em_bcr3_07_ch2distrb.ps Ensemble Ramachandran plots * File: PSR293_R3_em_bcr3_08_ensramach.ps Ensemble chi1-chi2 plots * File: PSR293_R3_em_bcr3_09_ensch1ch2.ps Residue properties plot * File: PSR293_R3_em_bcr3_10_residprop.ps Model secondary structures * File: PSR293_R3_em_bcr3_11_modelsecs.ps .................................................................. Restraints and restraint violation plots * * * Model and residue ranges selected in file: PSR293_R3_em_bcr3.ressel * ------------------------------------------ * * ALL models in the ensemble * * From residue 2 in chain [A] to residue 36 in chain [A] * From residue 40 in chain [A] to residue 53 in chain [A] * From residue 57 in chain [A] to residue 83 in chain [A] * From residue 90 in chain [A] to residue 99 in chain [A] * From residue 101 in chain [A] to residue 116 in chain [A] * * * Restraints read in from file: * PSR293_R3_em_bcr3.nrv * Warning. Restraints file not found: * Number of restraints read in: 0 * * Restraints read in from file: * PSR293_R3_em_bcr3.hrv * Warning. Restraints file not found: * Number of restraints read in: 0 * * Restraints read in from file: * PSR293_R3_em_bcr3.srv * Warning. Restraints file not found: * Number of restraints read in: 0 * * Total number of restraints read in: 0 * **** No distance restraints found **** No torsion angle restraints found * **** No restraints found, so no restraint plots will be produced ..................................................................