Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNVTSFRSELKQLFHLMLPILITQFAQAGFGLIDTIMAGHLSAADLAAIAVGVGLWIPVML----LFSGIMIASTPLVAEAKGARNTEQIPVIVRQSLWVAVILGV-LAMLILQLMPFFLHVFGVPESLQPKASLFLHAIGLGMPAVTMYAALRGYSEALGHPRPVTVISLLALVVLIPLNMIFMYGLGPIPALGSAGCGFATSILQWLMPITLAGYIY-KASAYRNTSI--FSRFDKINLTWVKRILQLGLPIGLA-VFFEVSIFSTGALVLSPLGEVFIAAHQVAISVTSVLFMIP-LSLAIALTIRVGTYYGEKNWASMYQVQKIGLSTAVFFALLTMSFIALGHEQIVSVYT-------QDINVVPVAMYLLWFAMAYQLMDALQVSAAGCLRGMQDTQAPMWITLMAYWVIAFPIGLYLARYTDWGVAGVWLGLIIGLSIACVL--LLSRLYLNT-KRLSQT 3VVR Chain:A ((18-454)) -----------KAIVRLSIPMMIGMSVQTLYNLADGIWVSGLGPESLAA----VGLFFPVFMGIIALAAGLGVGTSSAIARRIGARDKEGADNVAVHSLILSLILGVTITITMLPAIDSLFRSMGAKGEAVELAIEYARVLLAGAFIIVFNNVGNGILRGEGDANRAMLAMVLGSGLNIVLDPIFIYTLG----FGVVGAAYATLLSMVVTSLFIAYWLFVKRDTYVDITLRDFSPSREI----LKDILRVGLPSSLSQLSMSIAMFFLNSVAITAG-ENGVAVFTSAWRIT-MLGIVPILGMAAATTSVTGAAYGERNVEKLETAYLYAIKIAFMIELAVVAFIMLFAPQVAYLFTYIKGDLISALRTLPVFLVLTPFGMMTSAM----------FQGIGEGEKSLILTIFRTLVMQVGFAYIFVH----GLRGVWIGIVIGNMVAAIVGFLWGRMRISALKKT---

General information: TITO was launched using: RESULT: Template: 3VVR.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 : 2047 -255230 -124.68 -628.64 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -124.68 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.326

(partial model without unconserved sides chains): PDB file : Tito_3VVR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VVR-query.scw PDB file : Tito_Scwrl_3VVR.pdb: