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 3VVO Chain:A ((18-457)) -----------KAIVRLSIPMMIGMSVQTLYNLADGIWVSGLGPESLAA----VGLFFPVFMGIIALAAGLGVGTSSAIARRIGARDKEGADNVAVHSLILSLILGVTITITMLPAIDSLFRSMGAKGEAVELAIEYARVLLAGAFIIVFNNVGNGILRGEGDANRAMLAMVLGSGLNIVLDPIFIYTLG----FGVVGAAYATLLSMVVTSLFIAYWLFVKRDTYVDITLRDFSPSREI----LKDILRVGLPSSLSQLSMSIAMFFLNSVAITAGGENGVAVFTSAWRIT-MLGIVPILGMAAATTSVTGAAYGERNVEKLETAYLYAIKIAFMIELAVVAFIMLFAPQVAYLFTYIKGDLISALRTLPVFLVLTPFGMMTSAM----------FQGIGEGEKSLILTIFRTLVMQVGFAYIFVHYTTLGLRGVWIGIVIGNMVAAIVGFLWGRMRISALKKTSAT

General information: TITO was launched using: RESULT: Template: 3VVO.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 : 2089 -265581 -127.13 -641.50 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -127.13 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.349

(partial model without unconserved sides chains): PDB file : Tito_3VVO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VVO-query.scw PDB file : Tito_Scwrl_3VVO.pdb: