Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGYNIPRGTQDILPGESDRWQFVEQIMRDTCRTYQYKEIRTPIFEHTELFARGVGESTDIVQKEMYTFEDRKG--RSLTLRPEGTAAAVRAFNENKLF--ANPVQPTKLYYVGPMFRYERPQTGRYRQFYQFGIEAIGSKDPAIDAEVMALAMSIYEKAGLEN-VKLVINSLGDQDSRKSYREALVKHFEPRIEEFCSDCQSRLHTNPLRILDCKKDRDHELMKSAPSILTYLNEESAAYFEKVKQYLNDLGISYEIDPNLVRGLDYYNHTAFEIMSNAEGFGAITTLAGGGRYDGLVEQIGGP---EAPGIGFAMSIERLLAAID-AEKRELPVDKGIDCYIVTLGEKA-KDYSVSLVYKLREAGISSEIDYENK-----KMKGQFKTADRLKARFIAILGEDELAQNKINVKDAQTGEQIEVALDEFIHVMKANQKG 5E3I Chain:A ((16-429)) ------KGFNDVLPTQTAAWRRLEQHLASLMDAYGYQQIRLPIVEQTGLFKRAIGDATDIVEKEMYTFFDKGNPPESLTLRPEGTAGCVRALVEHNLLRGATP----RVWYMGPMFRYEKPQKGRYRQFHQFGVETFGVATPDIDAELIMLTARLWKRMGVDHMVQLELNTLGETDERTEYRNA-----------------------------------------APKLHDFLKEDSLSHFQQLQDYLTAAGIKFVINQKLVRGLDYYNKTVFEWTTTA--LGSQGTVCAGGRYDGLVGQLKGKADQSVPAVGFAMGMERLLLLLEQVEQAEIVR----DCEAFLVAEPAYQSKALVLAEQLRDQLEAANSNIRIKTGSQGSMKSQMKKADQAGAVYAIILGEREWEAQQLAVKELATAEQSQVALAELV---------

General information: TITO was launched using: RESULT: Template: 5E3I.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 : 1672 64545 38.60 180.29 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : 38.60 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.564

(partial model without unconserved sides chains): PDB file : Tito_5E3I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5E3I-query.scw PDB file : Tito_Scwrl_5E3I.pdb: