Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRFFIADDDRAVRSILRQIIEDEDLGEAAGEADDGSQVEGHMLQFKQIDILLIDLLMPGRDGIETIRQIQNT-YSGKIVMISQVEAKEMVGEAYSLGIEYFIHKPINRIEIVTVLQKVKERIELEHSIGAIQHSLSRLVNRTERKARPQQKSDSGLKEAGTFLLSELGMMGEGGAHDLMAVLQYLAEHEQSEPHEKQSPSLKQIFTQVAVRKLGTGASQTEVNREMKASEQRIRRAIIHSLHHFASLGTTDFSNPKFETYASKFFDFPVVSQKMKELQSKDAKPLAPARINMKKFIHVFFLEAKLLHETMKQRRI 4TMY Chain:B ((4-118)) -RVLIVDDAAFMRMMLKDIITKAGY-EVAGEATNGREAVEKYKELKP-DIVTMDITMPEMNGIDAIKEIMKIDPNAKIIVCSAMGQQAMVIEAIKAGAKDFIVKPFQPSRVVEALNKV-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4TMY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 597 -85935 -143.94 -753.82 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -143.94 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.512

(partial model without unconserved sides chains): PDB file : Tito_4TMY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TMY-query.scw PDB file : Tito_Scwrl_4TMY.pdb: