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

General information: TITO was launched using: RESULT: Template: 4QMS.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 : 1213 -55344 -45.63 -226.82 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -45.63 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.505

(partial model without unconserved sides chains): PDB file : Tito_4QMS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QMS-query.scw PDB file : Tito_Scwrl_4QMS.pdb: