Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKQILILAGDGIGPEIVGAAEKVLNKVNEKFNLSLTWEHGLLGGAAIDAHGEPYPAVTSEQAKKADAILLGAVGGPKWDTIERSIRPERG-LLKIRSELNLFANLRPAILYPQLADASSLKPEIV-AGLDILIVRELTGGIYFGQPRGIRELENGEKQGYNTDVYSESEIKRIAKVAFELAGLRGGKVCSVDKANVLEVTELWKQTVTDLQQANYPNIQLSHMYVDNAAMQLVRAPKQFDVIVTGNLFGDILSDEAAMLTGSIGMLPSASLDENGKGMYEPCHGSAPDIAGQNVANPLATILSVAMMLRYTFREEAAAKAIEDAVGQVLDQGLRTADIMSEGMTKVG--TAEMGEAVVAALA 3VML Chain:A ((15-371)) ---QIAVLAGDGIGPEVMAEARKVLKAVEARFGLNIEYTEYDVGGIAIDNHGCPLPEATLKGCEAADAVLFGSVGGPKWEHLPPNDQPERGALLPLRGHFELFCNMRPAKLHPGLEHMSPLRSDISEKGFDILCVRELTGGIYFGKPKG-RQGEGENEEAFDTMRYSRKEIRRIAKIAFESAQGRRKKVTSVDKANVLACSVLWREVVEEVAK-DYPDVELEHIYIDNATMQLLRRPNEFDVMLCSNLFGDIVSDEIAMLTGSMGLLASISMNSQGFGMYEPAGGSAPDIAGQGIANPVAQILSAALLLRHSLKLEDAALAIEAAVSKALNSGYLTGELLSSDQRHKAKTTVQMGDFIADAV-

General information: TITO was launched using: RESULT: Template: 3VML.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 : 2017 -31907 -15.82 -90.39 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -15.82 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.624

(partial model without unconserved sides chains): PDB file : Tito_3VML.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VML-query.scw PDB file : Tito_Scwrl_3VML.pdb: