PROCHECK-NMR. PROCHECK v.3.5.4 (Feb 2001) ----------------------------------------- Coordinates file: [ CTR107_R3Cons_em_bcr3.pdb ] Ranges file: [ CTR107_R3Cons_em_bcr3.ressel ] Program directory: /farm/software/procheck/ Running clean-up on file: CTR107_R3Cons_em_bcr3.pdb ** Unrecognized atom type [ O2 ] in residue HIS A 166 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 7 PHE A 58 TYR A 61 PHE A 73 TYR A 102 PHE A 125 TYR A 132 ** Unrecognized atom type [ O2 ] in residue HIS A 166 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 3 PHE A 7 PHE A 58 TYR A 61 TYR A 102 PHE A 125 ** Unrecognized atom type [ O2 ] in residue HIS A 166 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 3 PHE A 7 PHE A 35 TYR A 61 PHE A 69 PHE A 75 TYR A 106 * TYR A 113 PHE A 125 TYR A 135 ** Unrecognized atom type [ O2 ] in residue HIS A 166 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 3 PHE A 7 PHE A 35 TYR A 39 TYR A 61 PHE A 75 TYR A 113 * PHE A 125 ** Unrecognized atom type [ O2 ] in residue HIS A 166 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 3 PHE A 7 PHE A 58 TYR A 61 PHE A 125 TYR A 132 ** Unrecognized atom type [ O2 ] in residue HIS A 166 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 7 TYR A 61 PHE A 62 PHE A 69 PHE A 73 PHE A 75 TYR A 106 * PHE A 125 TYR A 135 ** Unrecognized atom type [ O2 ] in residue HIS A 166 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 7 PHE A 35 PHE A 75 TYR A 102 TYR A 106 PHE A 125 TYR A 132 * TYR A 135 ** Unrecognized atom type [ O2 ] in residue HIS A 166 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 7 PHE A 58 PHE A 75 PHE A 125 ** Unrecognized atom type [ O2 ] in residue HIS A 166 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 7 PHE A 75 TYR A 102 PHE A 125 ** Unrecognized atom type [ O2 ] in residue HIS A 166 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 58 TYR A 61 PHE A 69 PHE A 75 TYR A 102 PHE A 125 ** Unrecognized atom type [ O2 ] in residue HIS A 166 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 3 TYR A 39 PHE A 58 PHE A 75 TYR A 106 TYR A 113 ** Unrecognized atom type [ O2 ] in residue HIS A 166 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 3 PHE A 7 PHE A 75 TYR A 102 PHE A 125 ** Unrecognized atom type [ O2 ] in residue HIS A 166 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 3 PHE A 35 PHE A 58 TYR A 61 PHE A 69 PHE A 125 TYR A 135 ** Unrecognized atom type [ O2 ] in residue HIS A 166 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 7 PHE A 58 PHE A 62 PHE A 69 PHE A 73 PHE A 75 PHE A 125 ** Unrecognized atom type [ O2 ] in residue HIS A 166 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 3 PHE A 7 PHE A 58 TYR A 61 PHE A 69 PHE A 75 TYR A 106 * PHE A 125 ** Unrecognized atom type [ O2 ] in residue HIS A 166 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 7 PHE A 58 TYR A 61 PHE A 75 TYR A 106 PHE A 125 ** Unrecognized atom type [ O2 ] in residue HIS A 166 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 7 PHE A 35 PHE A 58 TYR A 61 PHE A 75 TYR A 106 PHE A 125 ** Unrecognized atom type [ O2 ] in residue HIS A 166 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * TYR A 39 PHE A 69 PHE A 75 TYR A 102 PHE A 125 TYR A 132 ** Unrecognized atom type [ O2 ] in residue HIS A 166 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 3 PHE A 7 PHE A 58 TYR A 61 PHE A 125 TYR A 132 ** Unrecognized atom type [ O2 ] in residue HIS A 166 * Side chain atoms should be swapped for the following residues: * As this is an NMR ensemble the swap has not been made * PHE A 7 PHE A 58 TYR A 61 PHE A 75 TYR A 106 TYR A 113 PHE A 125 * TYR A 135 * 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: CTR107_R3Cons_em_bcr3.ressel * ------------------------------------------ * * ALL models in the ensemble * * From residue 8 in chain [A] to residue 27 in chain [A] * From residue 31 in chain [A] to residue 40 in chain [A] * From residue 44 in chain [A] to residue 62 in chain [A] * From residue 68 in chain [A] to residue 73 in chain [A] * From residue 75 in chain [A] to residue 78 in chain [A] * From residue 81 in chain [A] to residue 83 in chain [A] * From residue 87 in chain [A] to residue 106 in chain [A] * From residue 109 in chain [A] to residue 126 in chain [A] * From residue 130 in chain [A] to residue 134 in chain [A] * From residue 138 in chain [A] to residue 140 in chain [A] * From residue 146 in chain [A] to residue 153 in chain [A] * Main Ramachandran plot * File: CTR107_R3Cons_em_bcr3_01_ramachand.ps All-residue Ramachandran plots * File: CTR107_R3Cons_em_bcr3_02_allramach.ps All-residue chi1-chi2 plots * File: CTR107_R3Cons_em_bcr3_03_chi1_chi2.ps * Program complete .................................................................. Dihedral angle distributions and quality plots * * * Model and residue ranges selected in file: CTR107_R3Cons_em_bcr3.ressel * ------------------------------------------ * * ALL models in the ensemble * * From residue 8 in chain [A] to residue 27 in chain [A] * From residue 31 in chain [A] to residue 40 in chain [A] * From residue 44 in chain [A] to residue 62 in chain [A] * From residue 68 in chain [A] to residue 73 in chain [A] * From residue 75 in chain [A] to residue 78 in chain [A] * From residue 81 in chain [A] to residue 83 in chain [A] * From residue 87 in chain [A] to residue 106 in chain [A] * From residue 109 in chain [A] to residue 126 in chain [A] * From residue 130 in chain [A] to residue 134 in chain [A] * From residue 138 in chain [A] to residue 140 in chain [A] * From residue 146 in chain [A] to residue 153 in chain [A] * **** No torsion angle restraints found Phi angle distributions * File: CTR107_R3Cons_em_bcr3_04_phidistrb.ps Psi angle distributions * File: CTR107_R3Cons_em_bcr3_05_psidistrb.ps Chi-1 angle distributions * File: CTR107_R3Cons_em_bcr3_06_ch1distrb.ps Chi-2 angle distributions * File: CTR107_R3Cons_em_bcr3_07_ch2distrb.ps Ensemble Ramachandran plots * File: CTR107_R3Cons_em_bcr3_08_ensramach.ps Ensemble chi1-chi2 plots * File: CTR107_R3Cons_em_bcr3_09_ensch1ch2.ps Residue properties plot * File: CTR107_R3Cons_em_bcr3_10_residprop.ps Model secondary structures * File: CTR107_R3Cons_em_bcr3_11_modelsecs.ps .................................................................. Restraints and restraint violation plots * * * Model and residue ranges selected in file: CTR107_R3Cons_em_bcr3.ressel * ------------------------------------------ * * ALL models in the ensemble * * From residue 8 in chain [A] to residue 27 in chain [A] * From residue 31 in chain [A] to residue 40 in chain [A] * From residue 44 in chain [A] to residue 62 in chain [A] * From residue 68 in chain [A] to residue 73 in chain [A] * From residue 75 in chain [A] to residue 78 in chain [A] * From residue 81 in chain [A] to residue 83 in chain [A] * From residue 87 in chain [A] to residue 106 in chain [A] * From residue 109 in chain [A] to residue 126 in chain [A] * From residue 130 in chain [A] to residue 134 in chain [A] * From residue 138 in chain [A] to residue 140 in chain [A] * From residue 146 in chain [A] to residue 153 in chain [A] * * * Restraints read in from file: * CTR107_R3Cons_em_bcr3.nrv * Warning. Restraints file not found: * Number of restraints read in: 0 * * Restraints read in from file: * CTR107_R3Cons_em_bcr3.hrv * Warning. Restraints file not found: * Number of restraints read in: 0 * * Restraints read in from file: * CTR107_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 ..................................................................