Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPPKRPQALEKLHVAPHDKAVSITDTMTLVVKGEGGVEMRVKQTGIAQGPGSSSASGQPKSDAVMNKIKFEDLRIGSELGKGSQGKVRVAQHKITGEKYAMKYIAFDGDSDDMRSALEAELRQVAAVKHHNIVSSYEAFFRDGRLYVVLEYMDCGTMNNLIDRHPEGFSEDMLAYIARELFKGLEFLHHLNMIHRDIKPANVLANTKGEIKISDFGVAKTLSGGDLQTLSAQGSVPYMSPERIQSKPYSFNSDIWSAGLTIAECAFREYPFASLKP-KVFELCQAIASGTAKINWDDRETKFSDEFKEFIELCLRPEAT-RPSATEMLSHSLIQKASNVNPLEAGRWMSPKK 4QML Chain:A ((36-281)) -----------------------------------------------------------------------------KIGKGSFGEVFKGIDNRTQKVVAIKIIDLE-EAEDEIEDIQQEITVLSQCDSPYVTKYYGSYLKDTKLWIIMEYLGGGSALDLLEPGP--LDETQIATILREILKGLDYLHSEKKIHRDIKAANVLLSEHGEVKLADFGVAGQLTDTQIKRNTFVGTPFWMAPEVIKQSAYDSKADIWSLGITAIELARGEPPHSELHPMKVLFLI-------PKNNPPTLEGNYSKPLKEFVEACLNKEPSFRPTAKELLKHKFI-------------------

General information: TITO was launched using: RESULT: Template: 4QML.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 : 1245 -64050 -51.45 -262.50 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -51.45 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_4QML.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QML-query.scw PDB file : Tito_Scwrl_4QML.pdb: