Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGLVSSKKPDKEKPIKEKDKGQWSPLKVSAQDKDAPPLPPLVVFNHLTPPPPDEHLDEDKHFVVALYDYTAMNDRDLQMLKGEKLQVLKGTGDWWLARSLVTGREGYVPSNFVARVESLEMERWFFRSQGRKEAERQLLAPINKAGSFLIRESETNKGAFSLSVKDVTTQGELIKHYKIRCLDEGGYYISPRITFPSLQALVQHYSKKGDGLCQRLTLPCVRPAPQNPWAQDEWEIPRQSLRLVRKLGSGQFGEVWMGYYKN-NMKVAIKTLKEGTMSPEAFLGEANVMKALQHERLVRLYAVVTKEP-IYIVTEYMARGCLLDFLKTDEGSRLSLPRLIDMSAQIAEGMAYIERMNSIHRDLRAANILVSEALCCKIADFGLARIIDSE-YTAQEGAKFPIKWTAPEAIHFGVFTIKADVWSFGVLLMEVVTYGRVPYPGMSNPEVIRNLERGYRMPRPDTCPPELYRGVIAECWRSRPEERPTFEFLQSVLEDFYTATERQYELQP 2XYN Chain:B ((26-289)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KWEMERTDITMKHKLGGGQYGEVYVGVWKKYSLTVAVKTL--DTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTLEPPFYIVTEYMPYGNLLDYLRECNREEVTAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHVVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNTFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYDLLEKGYRMEQPEGCPPKVYE-LMRACWKWSPADRPSFAETHQAFETMF-----------

General information: TITO was launched using: RESULT: Template: 2XYN.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 : 1275 -52262 -40.99 -201.78 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -40.99 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.250

(partial model without unconserved sides chains): PDB file : Tito_2XYN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2xyn-query.scw PDB file : Tito_Scwrl_2XYN.pdb: