Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------------------------------------------------------MFEKISQFLVPIAGR--LNNNRYLQVLRDAFMLAFPLTIFGSIFVVLTNLPFLNKIMNASMLTSFQSHFGIASTATMG--IMSVFVVFG--IGYYLSKS-----YQVEAVFGGAIALVSFLLLTPFIIQPETGDAITGVIPVDRLGAK--GMFLGMITAFLS--GEIYRRIVQKNLTIKMPAGVPPAVAKSFAALIPAFITLTVFLLINVMVT--LFFKTNMHDVIYHAIQAPLVGLGSGIIPTLIAVFFIQILWFFGLHGQIIINSVMDPIWNTLQVENLSAYTAGKEIPHIISKPF------------------------MEIYTVGMGGTGMTLAIVFTILIFMKSRQMKQVSKLGL-------------------APGIFNV-NEPIIFGLPIVMNPIIIVPWVLAPM------VVTLVTYLAMSAGLV--------PPPTGVTV---------------PWTVPLFINGIMATNSIMGGVMQLINLLIVFVIWFPFLKAMDKLNLAKEKEQAVQETAAQQNDNSIKM--- 3NB0 Chain:A ((22-659)) SRDLQNHLLFETATEVANRVGGIYSVLKSKAPITVAQYKDHYHLIGPLNKATYQNEVDILDWKKPEAFSDEMRPVQHALQTMESRGVHFVYGRWLIEGAPKVILFDLDSVRGYSNEWKGDLWSLVGIPSPENDFETNDAILLGYTVAWFLGEVAHL-----DSQHAIVAHFHEWLAGVALPLCRKRRIDVVTIFTTHATLLGRYLCASGSFDFYNCLESVDVDHEAGRFGIYHRYCIERAAAHSADVFTTVSQITAFEAEHLLKRKPDGILPNGLNVIKFQAFHEFQNLHALKKEKINDFVRGHFHGCFDFDLDNTLYFFIAGRYEYKNKGADMFIEALARLNYRLKVSGSKKTVVAFIVMPAKNNSFT-VEALKGQAEVRALENTVHEVTTSIGKRIFDHAIRYPHNGLTTELPTDLGELLKSSDKVMLKRRILALRRPEGQLPPIVTHNMVDDANDLILNKIRQVQLFNSPSDRVKMIFHPEFLNANNPILGLDYDEFVRGCHLGVFPSYYEPWGYTPAECTVMGVPSITTNVSGFGSYMEDLIETNQAKDYGIYIVDRRFKAPDESVEQLVDYMEEFVKKTRRQRINQRNATEALSDLLDWKRMGLEYVKARQLALRRGYPDQFRELVGEELNDSNMDALA

General information: TITO was launched using: RESULT: Template: 3NB0.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 : 1823 -274607 -150.63 -629.83 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -150.63 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.153

(partial model without unconserved sides chains): PDB file : Tito_3NB0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NB0-query.scw PDB file : Tito_Scwrl_3NB0.pdb: