Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------MDKSSKFFFEDQKYNKER----------IVRVLGGNLALLKSKGILYEDSSGDLIFNYV----GVISNGRNVIFILPKYCNRHLDEHSKRTLF-------NKLLKIFKKYSGLNKS--RESDYFVSELDSDEVSDF-----MIADYLLNDFSLNGYYQKKFTEYEIDGEGIIDWSKTVNEITPVFSKGVPYYFSTYNEVVQKDE-----YHLIVKIHKWALSKYFNDFGVILGFTGLEFDK--SCDGMKILDYADFFGSVINKEIVNTYVDRDVKLLKALKTAI----DREENQFSKRPTLSLYGTKYFHRVWEEVCKTVFSHVNEYVKKISRPNWINFTDIEVNKE---KKTLEPDIIKAFEYRSKEYFLILD--AKYYNINF--------DGKKLEGNPGVEDITKQLLYDKALEKLSRGKTKHNAFLFPSSNSTNTFKVFGSVDFDFLDIAAVTLVYISAEQVYNLYLENKTFSTDDLFKFVSEINKSKKRHSVITSTLYGNMFLFTKRLSDKN--------------------------------------------------------------------------------------------------------------------- 5FRP Chain:A ((3-691)) KGAVTKLKFNSPIISTSDQLISTNELLDRLKALHEELASLDQDNTDLTGLDKYRDALVSRKLLKHKDVGIRAFTACCLSDILRLYAPDAPYTDAQLTDIFKLVLSQFEQLGDQENGYHIQQTYLITKLLEYRSIVLLADLPSSNNLLIELFHIFYDPNKSFPARLFNVIGGILGEVISEFDSVPLEVLRLIFNKFLTYNPNEIPEGLNVTSDCGYEVSLILCDTYSNRMSRHLTKYYSEIIHEATNDDNNSRLLTVVVKLHKLVLRLWETVPELINAVIGFIYHELSSENELFRKEATKLIGQILTSYSDLNFVSTHSDTFKAWISKIADISPDVRVEWTESIPQIIATREDISKELNQALAKTFIDSDPRVRRTSVMIFNKVPVTEIWKNITNKAIYTSLLHLAREKHKEVRELCINTMAKFYSNSLNEIERTYQNKEIWEIIDTIPSTLYNLYYINDLNINEQVDSVIFEYLLPFEPDNDKRVHRLLTVLSHFDKKAFTSFFAFNARQIKISFAISKYIDFSKFLNNQE-SMSSSQGPIVMNKYNQTLQWLASGLSDSTKAIDALETIKQFNDERIFYLLNACVTNDIPFLTFKNCYNELVSKLQTPSIMPRDIAKVIQILLFRASPIIYNVSNISVLLNLSNNSDAKQLDLKRRILDDISKVNPTLFKDQIRTLK

General information: TITO was launched using: RESULT: Template: 5FRP.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 : 1708 -165612 -96.96 -356.92 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -96.96 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.171

(partial model without unconserved sides chains): PDB file : Tito_5FRP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5FRP-query.scw PDB file : Tito_Scwrl_5FRP.pdb: