Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKKCSVCLWILVLLLSCLSGKSAYAATSTTIAKHIGNSNPLIDHHLGADPVALTYNGRVYIYMSSDDYEYNSNGTIKDNSFANLNRVFVISSADMVNWTDHGAIPVAGANGANGGRGIAKWAGASWAPSIAVKKINGKDKFFLYFANS----GGGIGVLTADSPIGPWTDPIGKPLVTPSTPGMSGVVWLFDPAVFVDDDGTGYLYAGGGVPGVSNPTQGQWANPKTARVIKLGPDMTSVVGSASTI---------------DAPFMFEDSGLHKYNGTYYYSYCINFGGTHPADKPPGEIGYMTSSSPMGPFTYRGHFLKNPGAFFGGGGNNHHAVFNFKNEWYVVYHAQTVSSALFGAGKGYRSPHINKLVHNADGSIQEVAANYAGVTQISNLNPYNRVEAETFAWNGRILTEKSTAPGGPVNNQHVTSIQNGDWIAVGNADFGAGGARSFKANVASTLGGKIEVRLDSADGKLVGTLNVPSTGGAQTWREIETAVSGATGVHKVFFVFTGTGTGNLFNFDYWQFTQR 4NOV Chain:A ((40-342)) ---------------------------------EKTFHKNPIIKDIYTADPAPMVYGDTLYLYTTHDEDELV-------NDFYTMNDWRCFSTKDMVNWTDHGAIFSLD--------DIGWADARAWAPQAVER----NGKFYLYCPVHKRNGGMAIAVGISDSPTGPFKDL-GYPLVDEG------DWNDIDPTVFIDDDGQAYLYFGNPE----------------LRYVLLNENMITYDKEVGIVKVPMTEEAFAKGSHDTGTSYGEGPWFYKRNDLYYMVYAAFGVG-----KQNEHLAYSTSDSPTGPWKYGGVLMTEE----GGVFTNHPGIADFKGHSYLFYHTGDLPGG----SLFHRSVCVAEFTYNEDGTINPIPK-CDGVE--------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4NOV.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 : 1731 -28029 -16.19 -98.69 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -16.19 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.471

(partial model without unconserved sides chains): PDB file : Tito_4NOV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NOV-query.scw PDB file : Tito_Scwrl_4NOV.pdb: