Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKEIISSKDLHLYYGKKEALKGIDLSFNQGEITAMIGPSGCGKSTYLRSLNRMNDLIP---NVTITGSVLYK-DKDIYGPKTDVVELRKEIGMVFQQPNPFPFSIYENVIYGLKLKGEKDKKVLDQVVEESLKAASVWDDV-------KDKLHKSALSLSGGQQQRVCIARVLAVNPEIILLDEPTSALDPVSTGKIESMLLELRER-YTMIIVTHNMSQASRISDKTAFFLDGHLIEYNDTKKIFMNPEKQETEDYISGRFG 5L22 Chain:A ((344-545)) ---------------GKTPVLRNINMRILPGEFVAIIGPSGSGKSSLVRTI--LGIWLPVHGTVEIDGADLKQWDRDYFG---------KFVGYLPQDIELFEGTVAENIARFGELDSEK--------IIEAAKLSGAHDVIIKLPDGYDTYIGPGGITLSGGQRQRIALARALYGNPRIVILDEPDSNLDEQGEQALYNALIELKKRKVTTIIVSHRIRLLNLV-DKIAIMQDGTL---------------------------

General information: TITO was launched using: RESULT: Template: 5L22.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 868 3934 4.53 20.71 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 4.53 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_5L22.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5L22-query.scw PDB file : Tito_Scwrl_5L22.pdb: