Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDNLNSPEQSDLSWLTIWSTFLNQAPFTAQTQAPEAACFLQQLIEASLQGDSCIDISPEQIETLGQLVISAEQAKSQVAPCVHDGQGLALYRYWNLEQRLAEQIRRLKQQPIQPVSCEEHLDLLTDPHQRTALQMVT-----RQSLSIITGGPGTGKTYTLARIIAVLSQAIPHIRVAMAAPTGKAAQRMQEALQNSFNDPKLLESGLMSDELRNQSTQTIHRLLGMGHSQ---TP---RFNQKQPLPYDVIVVDEASMLDLNLATLLFEAVPESCRIILLGDANQLASVDVGAVLADLQQIEA-LSENRVHLQTSRRFAEGALIGQVARFIQMQTSQIDHEQVLQQFEIDIVQVSELRSIPLEADMPDVVQLEYLPEESPIALETYYQKLMVGFQGYVQSLKAYLQDDHSLEHIENIVKSFDDYRILTAVRHGPFGLQQLNQYAERWLQQQLGIVTLGGWYVGRPVMMTYNDY-----------QLGISNGDIGLCFEHRTQPQQFE---------VY--------FP-------------SL-----------------------------NKWVAANRLPKSIQSAFALTIHKSQGSEFTHTAVVLDQAA--KNLLSQELIYTAITRAKKVVSLLVDPEALLQSFTVRTTRKSGLVEKVNRLVR 3UPU Chain:C ((26-459)) ----------------------------------------------------------------------------------------------------------------------------LTEGQKNAFNIVMKAIKEKKHHVTINGPAGTGATTLTKFIIEALIST-GETGIILAAPTHAAKKILSKLSG--------------------KEASTIHSILKINPVTYEENVLFEQKEVPDLAKCRVLICDEVSMYDRKLFKILLSTIPPWCTIIGIGDNKQIRPVDPGENTAYISPFFTHKDFYQCELTEVKRSNA--PIIDVATDVRNGKWI-YDK-VVDGH---------------------GVRGFTGDT-----------ALRDFMVNYFSI-------------V-KSLDDLFENRVMAFTNK---SVDKLNSIIRKKIFET-----DKDFIVGEIIVMQEPLFKTYKIDGKPVSEIIFNNGQLVRIIEAEYTSTFVKARGVPGEYLIRHWDLTVETYGDDEYYREKIKIISSDEELYKFNLFLGKTAETYKNWNKGGKAPWSDFWDAKSQFSK-VKALPASTFHKAQGMSVDRAFIYTPCIHYADVELAQQLLYVGVTRGRYDVFYV-----------------------------

General information: TITO was launched using: RESULT: Template: 3UPU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1380 4809 3.48 13.74 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain C : 0.63 3D Compatibility (PKB) : 3.48 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.367

(partial model without unconserved sides chains): PDB file : Tito_3UPU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UPU-query.scw PDB file : Tito_Scwrl_3UPU.pdb: