Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHYDASYISFDGILRKEILMTLLDVKHVQKIYKTRFQGNQVEALKDIHFTVEKGDYVAIMGESGSGKSTLLNILAMLDKPSRGQVYLNGTDTATIKNSQASSFR-REKLGFVFQDFNLLDTLSVKDNILLPLVLSRRPITEMMKKLVVTAENLGINQL--------QEKYPYEISGGQKQRVAVARAIITEPEILLADEPTGALDSKSSAALLDVFDEINERGQTILMVTHSTAAASR-AKRVLFIKDGILY-----NQIYRGEKTERQMFQEISDTLTVMASEVN 4YMV Chain:J ((14-231)) ----------------------------------------LEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGV---KINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPV----KVKKMNKK---EAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNER------------------

General information: TITO was launched using: RESULT: Template: 4YMV.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 998 -16837 -16.87 -82.94 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain J : 0.77 3D Compatibility (PKB) : -16.87 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.526

(partial model without unconserved sides chains): PDB file : Tito_4YMV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMV-query.scw PDB file : Tito_Scwrl_4YMV.pdb: