Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKIYVLDTNVLLQDPNAIFSFEENEVVIPAVVLEEVDSKKRYMDEVGRNARHVSKLIDALRQKGRLHEHVPLDTGGTLRIELNHRSFHQLQEIFIEKTNDNRILAVAKNLSLEEETKENGRPVILVSKDVLVRVKADAIGLLAEDFLNDRVVDNDEMYSGYKDLYISQQLFSSFYGKNQISVNDVKQHAFYPNQFALMKDELGGSSSAVGIADKTGTVLKRLVFDDEHIWGIRPKNVQQTMALELLLREDIPLVTLIGKAGTGKTLL-ALAAGLLQTED-LGIYKKLVVARPIVP-VGKDIGYLPGEKEEKLKPWMQPIFDNLEFLFNAKKPG-----------------------E---LDAILAGIGSIQVEALTYIRGRSIPDQFIIIDEA-QNLTRHEVKTLLTRVG---EGSKIVL-MGDPEQIDHPYLDSLNNGLAYVVERFKGQPISGSVKLLKGERSGLAQLAADLL 4PL0 Chain:A ((369-542)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FTGKMYSLTGPSGSGKSTLVKIISGYYKNYFGDIYLNDISLRNISDEDLNDAIYYLTQDD--YIF--MDTLRFNLRLANYDASENEIFKVLKLANLSVVNNEPVSLDTHLINRGN-NYSGGQK--QRISLARLFLRKPAIIIIDEATSALDYINESEILSSIRTHFPDALIINISHRINLL----------------------------------------------

General information: TITO was launched using: RESULT: Template: 4PL0.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 : 497 -49645 -99.89 -354.60 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -99.89 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.379

(partial model without unconserved sides chains): PDB file : Tito_4PL0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PL0-query.scw PDB file : Tito_Scwrl_4PL0.pdb: