PROCHECK-NMR. PROCHECK v.3.5.4 (Feb 2001) ----------------------------------------- Coordinates file: [ SGR145_R3Cons_em_bcr3.pdb ] Ranges file: [ SGR145_R3Cons_em_bcr3.ressel ] Program directory: /farm/software/procheck/ Running clean-up on file: SGR145_R3Cons_em_bcr3.pdb ** Unrecognized atom type [ O2 ] in residue HIS A 202 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 20 PHE A 88 TYR A 139 ** Unrecognized atom type [ O2 ] in residue HIS A 202 * 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 11 TYR A 13 PHE A 20 PHE A 88 PHE A 132 TYR A 139 ** Unrecognized atom type [ O2 ] in residue HIS A 202 * 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 11 PHE A 20 PHE A 132 TYR A 180 ** Unrecognized atom type [ O2 ] in residue HIS A 202 * 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 11 TYR A 13 PHE A 132 TYR A 139 TYR A 180 ** Unrecognized atom type [ O2 ] in residue HIS A 202 * 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 PHE A 132 TYR A 139 ** Unrecognized atom type [ O2 ] in residue HIS A 202 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 11 TYR A 180 ** Unrecognized atom type [ O2 ] in residue HIS A 202 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 20 PHE A 88 PHE A 132 TYR A 180 ** Unrecognized atom type [ O2 ] in residue HIS A 202 ** Unrecognized atom type [ O2 ] in residue HIS A 202 * 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 11 PHE A 20 PHE A 102 ** Unrecognized atom type [ O2 ] in residue HIS A 202 * 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 11 TYR A 13 PHE A 20 PHE A 132 TYR A 139 ** Unrecognized atom type [ O2 ] in residue HIS A 202 * 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 13 PHE A 88 TYR A 139 TYR A 180 ** Unrecognized atom type [ O2 ] in residue HIS A 202 * 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 11 TYR A 13 PHE A 20 PHE A 132 TYR A 139 ** Unrecognized atom type [ O2 ] in residue HIS A 202 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 11 TYR A 13 PHE A 20 PHE A 132 ** Unrecognized atom type [ O2 ] in residue HIS A 202 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 11 TYR A 13 TYR A 114 PHE A 132 TYR A 180 ** Unrecognized atom type [ O2 ] in residue HIS A 202 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 11 TYR A 13 ** Unrecognized atom type [ O2 ] in residue HIS A 202 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 11 TYR A 13 PHE A 20 PHE A 46 PHE A 132 TYR A 139 ** Unrecognized atom type [ O2 ] in residue HIS A 202 * 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 PHE A 20 PHE A 132 TYR A 139 TYR A 180 ** Unrecognized atom type [ O2 ] in residue HIS A 202 * 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 PHE A 20 TYR A 114 TYR A 180 ** Unrecognized atom type [ O2 ] in residue HIS A 202 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 11 TYR A 52 PHE A 132 TYR A 139 TYR A 180 ** Unrecognized atom type [ O2 ] in residue HIS A 202 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 11 PHE A 20 PHE A 102 PHE A 132 TYR A 139 TYR A 180 * 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: SGR145_R3Cons_em_bcr3.ressel * ------------------------------------------ * * ALL models in the ensemble * * From residue 21 in chain [A] to residue 36 in chain [A] * From residue 42 in chain [A] to residue 82 in chain [A] * From residue 84 in chain [A] to residue 139 in chain [A] * From residue 147 in chain [A] to residue 175 in chain [A] * From residue 184 in chain [A] to residue 195 in chain [A] * Main Ramachandran plot * File: SGR145_R3Cons_em_bcr3_01_ramachand.ps All-residue Ramachandran plots * File: SGR145_R3Cons_em_bcr3_02_allramach.ps All-residue chi1-chi2 plots * File: SGR145_R3Cons_em_bcr3_03_chi1_chi2.ps * Program complete .................................................................. Dihedral angle distributions and quality plots * * * Model and residue ranges selected in file: SGR145_R3Cons_em_bcr3.ressel * ------------------------------------------ * * ALL models in the ensemble * * From residue 21 in chain [A] to residue 36 in chain [A] * From residue 42 in chain [A] to residue 82 in chain [A] * From residue 84 in chain [A] to residue 139 in chain [A] * From residue 147 in chain [A] to residue 175 in chain [A] * From residue 184 in chain [A] to residue 195 in chain [A] * **** No torsion angle restraints found Phi angle distributions * File: SGR145_R3Cons_em_bcr3_04_phidistrb.ps Psi angle distributions * File: SGR145_R3Cons_em_bcr3_05_psidistrb.ps Chi-1 angle distributions * File: SGR145_R3Cons_em_bcr3_06_ch1distrb.ps Chi-2 angle distributions * File: SGR145_R3Cons_em_bcr3_07_ch2distrb.ps Ensemble Ramachandran plots * File: SGR145_R3Cons_em_bcr3_08_ensramach.ps Ensemble chi1-chi2 plots * File: SGR145_R3Cons_em_bcr3_09_ensch1ch2.ps Residue properties plot * File: SGR145_R3Cons_em_bcr3_10_residprop.ps Model secondary structures * File: SGR145_R3Cons_em_bcr3_11_modelsecs.ps .................................................................. Restraints and restraint violation plots * * * Model and residue ranges selected in file: SGR145_R3Cons_em_bcr3.ressel * ------------------------------------------ * * ALL models in the ensemble * * From residue 21 in chain [A] to residue 36 in chain [A] * From residue 42 in chain [A] to residue 82 in chain [A] * From residue 84 in chain [A] to residue 139 in chain [A] * From residue 147 in chain [A] to residue 175 in chain [A] * From residue 184 in chain [A] to residue 195 in chain [A] * * * Restraints read in from file: * SGR145_R3Cons_em_bcr3.nrv * Warning. Restraints file not found: * Number of restraints read in: 0 * * Restraints read in from file: * SGR145_R3Cons_em_bcr3.hrv * Warning. Restraints file not found: * Number of restraints read in: 0 * * Restraints read in from file: * SGR145_R3Cons_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 ..................................................................