Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMDYTEKQVLQGKAVLFLGAGASYNCTDREKKRIGFTGNELLQKINEEFLGNTPNHLTLDFASTMAIQKAGRENFDL-FIKELVCDFDPTNEHKLLSEFKWKAIFTTNYDEAIEKAYRENKSALQKIEKIISDNDSLQKVVVNPDKLPIIKIHGCISRPNDTRTPLVISCSDYRRHQENRSSLYQYLKECLTSDLVIFYGYGLGDNNIVGILDDLEKEGVNRTRHIWLDPFMDEMYKDYWESKNLLCKVNNLYDFLSEIKSKKDSNILSLNSFLKNDSVISKLIPSNDRPSNELETYLLKQLLYVEMNDEIKRESDNYNNDIFYRGNAHGFSWVAKNLDFQRAIERTL-EVELFENFEISNQLFNFLIINGYAGSGKSVLLKRLAWNGVSKFNGNCFYLSEGATLNTKLIFELIKLIKEPIILFVDNILEHQTEILEIKNFSIKDCSKIMIVGAARSNEWNNSENILDKLNPNFFSLKDLNDFEVKNLVNKLKEFKAEGSLKELSDIDKYKFIKEKSNNQLLVTLLEATHYGQEFSEIIKDEYEGIYDRSAKDLYLSICCFHRHGLELRAGMIKRLSGINFEQFKEKFLQPLELLVTSYYSYRVNDIVYTTRHSYIAQHVFKQAFLSEMDKAQQLIKIIRYLNIGFDTDSKALDFILKGRILAEEFNDKDLAHSIFNIAQDIGVNNAFILHQRAIFEINHQNPNYELALDYLKRINSSDGYYDMRTVEHTKANAYRKIALNSSSKQDKIKYRNLSLKLLNDNIRTSNRTSMPYHTKGLVLLDEIKDCDNENDLVDIIKDFENNLSAGFKKFPYDESLTVLEHDFSDEIDNSPRAIEKIKEALRKNSDNIYIVQRYAKFYIKKNDFLEARTCMLNFLRNDVNNRAINYLMAYSYIKENESLYFQNAIKYLKKCYSPRDSNYEPKFLHACLEYIYQSEEKALKIFTDLNQSNVSPKIKNKPTHMIRDSEGNERFFDAIIVTINDQFGFVKTSKYAENIYVHKSTISNEEDWEALRPGDPLKISIWFSFRGPRAKTAIIL 5GAN Chain:J ((155-898)) -------------------GNVDLNKLTEEREKL------LQSQIDENL-----AQLTKNASNPIQVNKPNAATDALSYLKDLENDRVNSLSDATLEDLQKMRTILKSYRKADPTNPQGWIASARLEEKA-------------------------------------------RKFSVAKKIIENGCQECPRSSDIWLENIRLHESD-VHYCKTLVATAINFNP----------------TSPLLWFKAIDL----ESTTVNKYRVVRKALQEIPRDEGLWKLAVSFEADKAQVIKMLEKATQFIPQSMDLLTAYTNLQSYHNAKMTLNSFRKILPQEPEIWIISTLLEERNNPKLVSLLKEGLLELSKNGYKATLSAWLKRAEALNDAPNS-----NLTCQAIVYAILEWLRESGEYESELNNVDQILEKMPH------------SKVQIAVLKKLIQW-------DPCDTVLWSRLKMATESYEELLAFFQELLFQTSD------DIRANMREKSPG-LLMMYVSEYWKAQKGD-----------TRQTLVLIDQIIDFAPHNLDLRFFKIKLLGRSLQLDELRDFFQQTFSSLEDF------KISGTERLYYKYVNFLRYQDLNE----------------------EAIKFLNERCLKS------------FPICHKFFLQLGQIYHSMG----------------------------NIEMSRETYLSGTRLVP------------------------------NCPLLWVSLSKIDEI---DLKN-----PVRARSILDRGLLKNPDDVLFYIAKIQMEIRLGNLDQAELLVTQALQKFPSNALLWVEQIKLFKHGNKSSLKKTIFQDALRRTQNDHRVLLEIGVSFYAEAQ---YETSLKWLERALKK------------CSRYG-DTWVWLFRTYARLGKDT---------------------------VDLYNMFDQCEPTYGPEWIAASKNCTPREILLRLMND-----------------------

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 : 2693 128519 47.72 176.78 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain J : 0.62 3D Compatibility (PKB) : 47.72 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.292

(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: