Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------MAMNLRKNQAPLYIKVHEIDNTAII---VNDGGLPKGTVFSCGLVLEEDVPQGHKVALTDLNQGDEIVRYGEVIGFADETIKRGSWIREALVRMPAPPALDDLPLANRVPQPRPPLEGYTFEGYR-NADGSAGTKNILGITTSVQCVVGVLDYAVK--RIKEELLPKYPNVDDVVPLHHQYGCGVAINAPDAVIPIRTIQNLAKHPNFGGEVMVIGLGCEKLLPERIASENDDDILSLQDHRGFAAMIQSILEMAEERLIRLNSRTRVSCPVSDLVIGLQCGGSDAFSGVTANPAVGYAADLLVRAGATVLFSEVTEVRDAIHLLTPRAVSEEVGQSLIKEMKWYDSYLRRGDADRSANPSPGNKKGGLSNVVEKALGSVAKSGTSPISGVLGPGERAKQKGLLFAATPASDFVCGTLQLAAGMNLQVFTTGRGTPYGLAAAPVLKVSTRHSLSEHWADLIDINAGRIATGEASIEDVGWEIFRTILDVASGRKQTW-ADRWGLHNDLCLFNPAPVT------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 5GAN Chain:J ((155-898)) GNVDLNKLTEEREKLLQSQIDENLAQLTKNASNPIQVNKPNAATDALSYLKDLENDRVNSLSDATLEDLQKMRTILKSYRKADPTNPQGWIASARLEEKARKFSVAKKIIENGCQECPRSSDIWLENIRLHESDVHYCKTLVATAINFNPTSPLLWFKAIDLESTTVNKYRVVRKALQEIPRDEGLWKLAVSFEADKAQVIKMLEKATQFIPQSMDL-LTAYTNLQSYHNAKMTLNSFRKILPQEPEIWIISTLLEERNNPKLVSLLKEGLLELSK-NGYKATLSAWLKRAEALNDAPNSNLTCQAIVYAILEWLRESGEYESELNNVDQILEKMPHS--KVQIAVLKKLIQWDPCDTVLWSRLKMATESYEELLAFFQELLFQTSDDIRANMREKSPGLLMMYVSEYWKAQKGDT-RQTLVLIDQIIDFAPHNLDLRFFKIKLLGRSLQLDELRDFFQQTFSSLEDFKISGTERLYYKYVNFLRYQDLNEEAIKFLNERCLKSFPICHKFFLQLGQIYHSMGNIEMSRETYLSGTRLVPNCPLLWVSLSKIDEIDLKNPVRARSILDRGLLKNPDDVLFYIAKIQMEIRLGNLDQAELLVTQALQKFPSNALLWVEQIKLFKHGNKSSLKKTIFQDALRRTQNDHRVLLEIGVSFYAEAQYETSLKWLERALKKCSRYGDTWVWLFRTYARLGKDTVDLYNMFDQCEPTYGPEWIAASKNCTPREILLRLMND

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 : 1792 -86887 -48.49 -172.05 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain J : 0.60 3D Compatibility (PKB) : -48.49 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.057

(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: