Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTEQPNWLMQRAQLTPERIALIYEDQTVTFAELFAASKRMAEQLAAHSVRKGDTAAILLQNRAEMVYAVHACFLLGVKAVLLNTKLSTHERLFQLEDSGSGFLLTDSSFEKKEYEH-------------IVQTIDVD---ELMKEAA--EEIEIEAYMQMDATATLMYTSGTTGKPKGVQQTFGNHYFSAVSSALNLGITEQDRWLIALPLFHISGLSA--LFKSVIYGMTVVLHQRFSVSDVLHSINRHEVTMISAVQTMLASLLEETNR-----CPESIRCILLGGGPAPLPLLEECREK-GFPVFQSYGMTETCSQIVTLSPEFSMEKLGSAGKPL-FSCEIKIER-DGQVCEPYEHGEIMVKGPNVMKSYFNRESANEASFQ-NGWLKTGDLGYLDNEGFLYVLDRRSDLIISGGENIYPAEVESVLLSHPAVAEAGVSGAEDKKWGKVPHAYLVLHKPVSAGELTDYCKER-LAKYKIPAKFFVLDRLPRNASNKLLRNQLKDARKGELL 4IZ6 Chain:A ((57-555)) ----------------SDSIAVIDGERQLSYRELNQAADNLACSLRRQGIKPGETALVQLGNVAELYITFFALLKLGVAPVLALFSHQRSELNAYASQIEPALLIADRQHALFSGDDFLNTFVTEHSSIRVVQLLNDSGEHNLQDAINHPAEDFTATPSPADEVAYFQLSGG-TGTPKLIPRTHNDYYYSVRRSVEICQFTQQTRYLCAIPAAHNYAMSSPGSLGVFLAGGTVVLAADPSATLCFPLIEKHQVNVTALVPPAVSLWLQALIEGESRAQLASLKLLQVGGARLSATLAARIPAEIGCQLQQVFGMAEGLVNYTRLDDS-AEKIIHTQGYPMCPDDEVWVADAEGNPLPQGEVGRLMTRGPYTFRGYYKSPQHNASAFDANGFYCSGDLISIDPEGYITVQGREKDQINRGGEKIAAEEIENLLLRHPAVIYAALVSMEDELMGEKSCAYLVVKEPLRAVQVRRFLREQGIAEFKLPDRVECVDSLPLTAVGKVDKKQLRQWLA----

General information: TITO was launched using: RESULT: Template: 4IZ6.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 : 2670 -61091 -22.88 -131.66 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -22.88 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.431

(partial model without unconserved sides chains): PDB file : Tito_4IZ6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IZ6-query.scw PDB file : Tito_Scwrl_4IZ6.pdb: