Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDREKQQLSIEAARLYYQSDYSQQQIAEQLNISRPTVSRLLQYAKEKGYVQIRVMDPFEDLDALGSILEEKYGLLEAHVVFSPTPDYAGITHDLSRYG---AEYMHETVKDGDIVGVSWGTTMYQIAQNMQPKQVKGVEVVQLKG-GISHSRVNTYSAETIQLFAEAFQTMPRYLPLPVVFDNADVKRMVEKDRHIERIIEMGKQANIALFTVGTVRDEALLFRLGYFNEEE-KALLKKQAVGDICSRFFDAKGNICSSAINDRTIGVELQDLRLKERSILVAGGSRKVSSIHGALTGKYANVLIIDQHTARALVNDL 3NZE Chain:A ((5-263)) --------------------------------------------------------PFDTGPELESQIRNQYGV-DVHVV--PVLDTLNEAETLDRVAMQAARTIGPLVDSNAIIGVAWGATLSAVSRHLTRKMTHDSIVVQLNGAGNMQTTGITYASDIMRRFGSAYGARVEQFPVPAFFDHASTKTAMWNERSVQRILDLQARMSIAIFGVGSVD---HVYAGGYLDEHDLTMLAADDVVGDVATVFFRSDGSSDGITLNERSTGPSHEQLRQVRRRICVVSGASKINGLQGALAAGLATDLILDEASARRLVS--

General information: TITO was launched using: RESULT: Template: 3NZE.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 : 1411 -26349 -18.67 -105.82 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -18.67 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_3NZE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NZE-query.scw PDB file : Tito_Scwrl_3NZE.pdb: