Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------MAAMASLGALALLLLSSLSRCSA----------------EACLEPQITPSYYTTSDAVISTETVFIVEIS-----LTCKNRVQNMALYADVGGKQ------FPVT------RGQDVGRYQ----VSWSLDHK----SAHAGTYEVRF----FDEESYS----------LLRKAQRNNEDISIIPPLFTVSVDHRGTWNGPWVSTEVLAAAIGLVIYYLAFSAKSHIQA------- 5KYH Chain:A ((1-303)) VSPVIATLLLILIAVAAAVLLYTWVSGLSANVAGTQVTGKSLTLIQATWARPATNVGTTISKDSFDRSKAVLILSFQPPAQVLQGGQAITIDAIDVLYQGRVVCHYDSFPMTADDKYHIGQTIGGLTAFGLVFWSFDDQYPFATILAGTWEVNYVSTNYVETNFRNTSAVIKFDRFVNTHYSPDTQNNNGVPIFDVASASQSNFAVVIWCPNVNPNVMQSVDVKMVFSDGSTWEASVPLSIT

General information: TITO was launched using: RESULT: Template: 5KYH.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 : 396 -9628 -24.31 -55.65 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -24.31 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.264

(partial model without unconserved sides chains): PDB file : Tito_5KYH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KYH-query.scw PDB file : Tito_Scwrl_5KYH.pdb: