Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------MSVEVNSEETVPEVLLLDLGGITFPSPIGPLLAAAESIR---------DPGLPRRMVSSVLWKELECGFLTIPEFCEQFAKGKAVVQEALIGWFEGLRAMEPSPRMIILLSELRLKY----PGLKIGAVTNNFKHPAPLRPMRDLRGEL-----LFDTIVE------SAVEGMAKGHPGGERWALVEVWNFHDGSYMEAHIIWSSVRLFKT--------ALERLDYHGPASAVLYLDDLKHN------------LAQPASLGIRTRHAITPEEATETIRKMLALDVSSGSPLQKYLASL----------GVLPDSIS-DQARPFAWQ-FSFGQSNPTYLVGLIPEKPLEGYT-LQKLLEEKCAVLRKQPPGELLPSAHDVVREYTVMSELGKEGCVPVPRTLGLCTDKTICGA-------AFYVMRFVTGVVFTDPNLPNLQ-PYQRRKVYEDLMKTAAAVHNFPWHRSEALTQRFRGDPSKYVSKQ------VERWSTQGIDVEGFKRLAKGLLDNVKISQKSPEFQSLVHGDFRLDNCIYDPHTFEVVAV-LDWELSTTGNSLVDIASALSQYYG---LYPGIAQLSSN----------FEELGI---PKERELLDLYLRYREVESIPEGLMQYMEAFQCLRMAGILYGVLMRTKKGNASQQHQQAKGGSIFSMAYVTKLCTRGLELLQSRA-CSSSPIAVDAPSKL 5GAN Chain:J ((155-898)) GNVDLNKLTEEREKLLQSQIDENLAQLTKNASNPIQVNKPNAATDALSYLKDLENDRVNSLSDATLEDLQKMRTILKSYRKADPTNPQGWIASARLEEKARKFSVAKKIIENGCQECPRSSDI---WLENIRLHESDVHYCKTLVATAINFNPTSPLLWFKAIDLESTTVNKYRVVRKALQEIPRDEGLWKLAVSFEADKAQVIKMLEKATQFIPQSMDLLTAYTNLQSYHNAKMTLNSFRKILPQEPEIWIISTLLEERNNPKLVSLLKEGLLELSKNGYKATLSAWLKRAEALNDAPNSNLTCQAIVYAILEWLRESGEYESELNNVDQILEKMPHSKVQIAVLKKLIQWDPCDTVLWSRLKMATESYEELLAFFQELLFQTSDDIRANMREKSPGLLMMYVSEYWKAQKGDTRQTLVLIDQIID-FAPHNLDLRFFKIKLLGRSLQLDELRDFFQQTFSSLEDFKISGTERLYYKYVNFLRYQDLNEEAIKFLNERCLKSFPICHKFFLQLGQIYHSMGNIEMSRETYLSGTRLVPNCPLLWVSLSKIDEIDLKNPVRARSILDRGLLKN--PDDVLFYIAKIQMEIRLGNLDQAELLVTQALQKFPSNALLWVEQIKLFKHGNKSSLKKTIFQDALRRTQNDHRVLLEIGVSFYAEAQYETSLKWLERALKKCSRYGDTWVWLFRTYARLGKDTVDLYNM-------FDQCEPTYGPEWIAASKNCTPREILLRLMND-

General information: TITO was launched using: RESULT: Template: 5GAN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 2089 -18206 -8.71 -30.04 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain J : 0.64 3D Compatibility (PKB) : -8.71 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.137

(partial model without unconserved sides chains): PDB file : Tito_5GAN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5gan-query.scw PDB file : Tito_Scwrl_5GAN.pdb: