Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQLYASLFYQKDVTEIFSDSSLITYMIQVEVALAQAQAQVGVIPQNAANTIAQVAEHALDKFDFSALAVATSLAGNIAIPFVKQLTAIVKDIDEDASRYVHWGATSQDILDTACILQCRDALNMVEGQLQQCYATALQQAKQYRHQVMIGRTWLQQALPITLGHKLARWASAFKRDLDRIQAMKSRVLTAQLGGAVGSLASLQDQGSLVVSAFAKQLNLTVPTSTWHGERDRIVEIASVLGMIVGNTGKMARDWSLMMQTEIAELFEPTAKGRGGSSTMPHKRNPVAAASVLAAANRVPALMSSIYQSMVQEHERSLGAWHAEWLAVPEIFQLCAGALTRTGEVLQGFEVNAEHMQQNLECTNGLIMAEAVMMTLAPKIGRLNAHHLVEAACKTAVAQNQHLFDVVSQLDEVKGQFSQEEIRNIFKPENYLGNIQQQIDAVLKEAQGESK 1RE5 Chain:B ((3-446)) -NQLFDAYFTAPAMREIFSDRGRLQGMLDFEAALARAEASAGLVPHSAVAAIEAACQ--AERYDTGALANAIATAGNSAIPLVKALGKVIATGVPEAERYVHLGATSQDAMDTGLVLQLRDALDLIEADLGKLADTLSQQALKHADTPLVGRTWLQHATPVTLGMKLAGVLGALTRHRQRLQELRPRLLVLQFGGASGSLAALGSKAMPVAEALAEQLKLTLPEQPWHTQRDRLVEFASVLGLVAGSLGKFGRDISLLMQTEAGEVFEPSAP-------MPHKRNPVGAAVLIGAATRVPGLLSTLFAAMPQEHERSLGLWHAEWETLPDICCLVSGALRQAQVIAEGMEVDAARMRRNLDLTQGLVLAEAVSIVLAQRLGRDRAHHLLEQCCQRAVAEQRHLRAVLGDEPQVSAELSGEELDRLLDPAHYLGQARVWVARAVSEHQ----

General information: TITO was launched using: RESULT: Template: 1RE5.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2121 -274766 -129.55 -628.76 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -129.55 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.520

(partial model without unconserved sides chains): PDB file : Tito_1RE5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1RE5-query.scw PDB file : Tito_Scwrl_1RE5.pdb: