Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFHISTLDQIKIAYIGGGSQGWARSLMSDLSIDERMSGTVALYDLDFEAAQKNEVIGNHSGNGR-WRYEAVSTLKKALSAADIVIISILPGSLDDMEVDVHLPERCGIYQSVGDTVGPGGIIRGLRAVPIFAEIARAIRDYAPESWVINYTNPMSVCTRVLYKV--FPGIKAIGCCH--EVFGTQKLLAEMVTERLGIEVPRREDIRVNVLGINHFTWITKASYRHIDLLPIFREFSAHYGESGYELEGECWRDSVFCSAHRVAFDLFETYGAIPAAGDRHLAEFLPGPYLKQ----PEVWKFHLTPISFRKQDRAEKRQETERLIVQQRGVAEKASGEEGVNIIAALLGLGELVTNVNMPNQGQVLNLPIQAIVETNAFITRNRVQPILSGALPKGVEMLAARHISNQEAVADAGLTKDTGLAFQAFLNDPLVQIDRSDAEQLFNDMLQCIMQS 1A5Z Chain:A ((1-311)) ---------MKIGIVGLGRVGSS--TAFALLM-KGFAREMVLIDVDKKRAEGDALDLIHG-TPFTRRANIYAGDYADLKGSDVVIVAAGVPQKPGETRL-------QL---------------LGRNARVMKEIARNVSKYAPDSIVIVVTNPVDVLTYFFLKESGMDPRKVFGSGTVLDTARLRTLIAQHC------GFSP-RSVHVYVIGEHGD-----------SEVPVWSGAM---------------------------------IGGIPL------QNMCQ-VCQKCDSKILENF---AEKTKRAAYEIIER--------KGA---THYAIALAVADIVESIFFDEKRVLTLSVYLEDYL-G-VKDLCISVPVTLGKHGVERILELNLNEEELEAFRKSASILKNAINEITAEE-----------------------------------

General information: TITO was launched using: RESULT: Template: 1A5Z.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 : 1646 -233310 -141.74 -772.55 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -141.74 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.426

(partial model without unconserved sides chains): PDB file : Tito_1A5Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1A5Z-query.scw PDB file : Tito_Scwrl_1A5Z.pdb: