Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGCVFCKKLEPVATAKEDAGLEGDFRSYGAADHYGPDPTKARPASSFAHIPNYSNFSSQAINPGFLDSGTIRGVSGIGVTLFIALYDYEARTEDDLTFTKGEKFHILNNTEGDWWEARSLSSGKTGCIPSNYVAPVDSIQAEEWYFGKIGRKDAERQLLSPGNPQGAFLIRESETTKGAYSLSIRDWDQTRGDHVKHYKIRKLDMGGYYITTRVQFNSVQELVQHYMEVNDGLCNLLIAPC-TIMKPQTLGLAKDAWEISRSSITLERRLGTGCFGDVWLGTWNG-STKVAVKTLKPGTMSPKAFLEEAQVMKLLRHDKLVQLYAVVSEEP-IYIVTEFMCHGSLLDFLKNPEGQDLRLPQLVDMAAQVAEGMAYMERMNYIHRDLRAANILVGERLACKIADFGLARLIKDDEYNPCQGSKFPIKWTAPEAALFGRFTIKSDVWSFGILLTELITKGRIPYPGMNKREVLEQVEQGYHMPCPPGCPASLYEAMEQTWRLDPEERPTFEYLQSFLEDYFTSAEPQYQPGDQT 1OPL Chain:B ((140-516)) -----------------------------------------------------------------------------------------------------------------------------------------SLEKHSWYHGPVSRNAAE-YLLSSG-INGSFLVRESESSPGQRSISLR-----YEGRVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAP------------DKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRNLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMF-------------

General information: TITO was launched using: RESULT: Template: 1OPL.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 : 1801 -75213 -41.76 -208.93 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -41.76 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.401

(partial model without unconserved sides chains): PDB file : Tito_1OPL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1opl-query.scw PDB file : Tito_Scwrl_1OPL.pdb: