Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRSHSVVCIGELLIDFFCTDVDVDLMEGRQ--FLKSAGGAPANVSAAIAKLGGDAAFSGKVGKDPFGYFLKRTLDAVHVDTSMLVMDEKAPTTLAFVSLKQNGERDFVF--NRGADALFTLEDIDQEKLNEAKILHFGSATALLSDPFCSAYLRLMSIAKDNGQFISFDPNYREDLWRGRVSEFVSVAKKAIAVSDFVKVSDEELEIISGVKDHEKGVAILHEIGANIVAVTLGKSGTLLSNGKDREIIPSIPVTSIDSTGAGDAFVGAALYQLANTDQIQSVDADFVKLREIVAFANKVGALVCTKIGAIDALPSLDEIGVSL 1TYY Chain:A ((32-327)) -------------------DASVDLVPEKQNSYLKCPGGASANVGVCVARLGGECGFIGCLGDDDAGRFLRQVFQDNGVDVTFLRLDADLTSAVLIVN-------SFTYLVHPGADTYVSPQDL--PPFRQYEWFYF-SSIGLTDRPAREACLEGARRMREAGGYVLFDVNLRSKMW-GNTDEIPELIARSAALASICKVSADELCQLSGASHWQDARYYLRDLGCDTTIISLGADGALLITAEGEFHFPAPRVDVVDTTGAGDAFVGGLLFTLSRANCW-----DHALLAEAISNANACGAMAVTAKGAMTALPFPDQLNTFL

General information: TITO was launched using: RESULT: Template: 1TYY.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 : 1676 -177863 -106.12 -624.08 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -106.12 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.440

(partial model without unconserved sides chains): PDB file : Tito_1TYY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1TYY-query.scw PDB file : Tito_Scwrl_1TYY.pdb: