Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKLLTLKKAHAAKIKKGYPLIEKEALAGSAGHMK---EGDLVDIVSESGGEFLARGYYGLQNKGVGWTLTRNKHEQIDQAFFLSKLTKAAQARAKLFEAQDTTAFRLFNGEGDGVGGVTIDYYDGYLLIQWYS-KGIYTFKDMLISALDEMDLDYKAIYEKKRFDTAGQYVEDDDFVKGRRGEFPIIIQENGIQYAVDLNEGAMTGIFLDQRHVRKAIRDRYAKGKTVLNTFSYTGAFSVAAALGGAEKTTSVDVANRSLAKTIEQFSVNKLDYEAHDIKVMDVFNYFSYAAKKDLRFDLIILDPPSFARTKKRTFSAAKDYKNLLKETIAITADKGVIVASTNSSAFGMKKFKGFIDAAFKETNERYTIIEEFTLPEDFKTISAFPEGNYLKVVLLQKK 3V97 Chain:A ((1-703)) AMNSLFASTARGLEELLKTELENLGAVECQVVQGGVHFKGDTRLVYQSLMWSRLASRIMLPLGECKVYSDLDLYLGVQAINWTEMFNPGATFAVHFSGLNDTIRNSQYGAMKVKDAIVDAFTRKNLPRPNVDRDAPDIRVNVWLHKETASIALDLSGDGLHLRGYRDRAGIAPIKETLAAAIVMRSGWQPGTPLLDPMCGSGTLLIEAAMLATDRAPGLHRGRWGFSGWAQHDEAIWQEVKAEAQTRARKGLAEYSSHFYGSDSDARVIQRARTNARLAGIGELITFEVKDVAQLTNPLPKGPYGTVLSNPPYGESEPALIALHSLLGRIMKNQFGGWNLSLFSASPDLLSCLQLRADKQYKAKNGPLDCVQKNYHVAESMVA-------------EDYTNRLRKNLKKFEKWARQEGIECYRLYDADLPEYN-VAVDRYADWVVVQEYAHKARQRLFDIIAATISVLGIAPNKLVLKTR---------------EEKGEF-LEVTEYNAHLWVNLTDYLDTGLFLDHRIARRMLGQM-SKGKDFLNLFSYTGSATVHAGLGGARSTTTVDMSRTYLEWAERNLRLNGLTGRAHRLIQADCLAWLREANE---QFDLIFIDPPTF-----SAFDVQRDHLALMKDLKRLLRAGGTIMFSNNKRGFRMD------LDGLAKLGLKAQEITQKTLSQDFARNR-----QIHNCWLITAA

General information: TITO was launched using: RESULT: Template: 3V97.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 : 1852 26539 14.33 76.70 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 14.33 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_3V97.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3V97-query.scw PDB file : Tito_Scwrl_3V97.pdb: