Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNVTSFRSELKQLFHLMLPILITQFAQAGFGLIDTIMAGHLSAADLAAIAVGVGLWIPVMLLFSGIMIASTPLVAEAKGARNTEQIPVIVRQSLWVAVILGVLAMLILQLM--PFFLHVFGVPESLQPKASLFLHAIGLGMPAVTMYAALRGYSEALGHPRPVTVISLLALVVLIPLNMIFMYGLGPIPALGSAGCGFATSILQWLMPITLAGYIYKA-SAYRNTSIFSRFDKINLTWVKRILQLGLPIGLAVFFEVSIFSTGALVLSP-LGEVFIAAHQVAISVTSVLFMIPLSLAIALTIRVGTYYGEKNWASMYQVQKIGLSTAVFFALLTMSFIALGHEQIVSVYTQDINVVP----VAMYLLWFAMAYQLMDALQVSAAGCLRGMQDTQAPMWITLMA-YWVIAFPIGLYLARYTDWGVAGVWLGLIIGLSIACVLLLSRLYLNTKRLSQT 3W4T Chain:A ((13-449)) ------RGDPKKAIVRLSIAMMIGMSVQTLYNLADGIWVSGLGPESLAAVGLFFPVFMGIIALAAGLGVGTSSAIARRIGARDKEGADNVAVHSLILSLILGVTITITMLPAIDSLFR-SMGAKGEAVELAIEYARVLLAGAFIIVFNNVGNGILRGEGDANRAMLAMVLGSGLNIVLDPIFIYT----LGFGVVGAAYATLLSMVVTSLFIAYWLFVKRDTYVDIT--LRDFSPSREILKDILRVGLPSSLSQLSMSIAMFFLNSVAITAGGENGVAVFTSAWRITMLGIVPILGMAAATTSVTGAAYGERNVEKLETAYLYAIKIAFMIELAVVAFIMLFAPQVAYLFTY------VIKGDLISALRTLPVFLVLTPFGMMTSAMFQGIGEGEKSLILTIFRTLV-MQVGFAYIFVHYTTLGLRGVWIGIVIGNMVAAIVGFLWGRMRIS-----

General information: TITO was launched using: RESULT: Template: 3W4T.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 : 2191 -299574 -136.73 -708.21 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -136.73 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.344

(partial model without unconserved sides chains): PDB file : Tito_3W4T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W4T-query.scw PDB file : Tito_Scwrl_3W4T.pdb: