Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDTHIPLPERLRPRDLSEIIGQDHLLGEHAPLRQMIDQGHLP-SIIFWGPPGVGKTTIALLLAQAIDRPFVSLSALNTGVKE-LREV------------------IAESGDLLT-----------PVVFIDEIHRFNKSQQDALLGAVEK--GKITLIGATTENPSFEVNSALLSRCQVYTLNSLDSEAIQTLLNNALQNDKFLKE-RYIHIEEYDALLQFAAGDARKALNLLDLIASTFEPEVENTITNAVVVKV-AQQNIARYDKSGEQHYDLVSAFIK--SIRGSDPDAALYWMARMLKGGEDPVFIARRMLIAASEDIGNSNPNALLLAGECFRSVQAVGMPEARIILGQTAVYLATSAKSNSTYLAINKALELAEKTANLPVPLHLRNAPTKLMKQQGYGINYLYPHDYPEHFVLQDYLPPELKGTKLYESARNKREVEGERLQQRRWQQEQ 3GLI Chain:B ((28-311)) -------LARKWRPQTFADVVGQEHVL---TALANGLSLGRIHHAYLFSGTRGVGKTSIARLLAKGLNCE-TGITATPCGVCDNCREIEQGRFVDLIEIDAASRTKVEDTRDLLDNVQYAPARGRFKVYLIDEVHMLSRHSFNALLKTLEEPPEHVKFLLATTDPQKLPVT--ILSRCLQFHLKALDVEQIRHQLEHILNEEHIAHEPRALQL-----LARAAEGSLRDALSLTDQAIASGDGQVSTQAVSAMLGTLDDDQALSLVEAMVEANGERVMALINEAAARGIEWEALLVEMLGLL------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3GLI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1241 -21854 -17.61 -88.48 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : -17.61 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.486

(partial model without unconserved sides chains): PDB file : Tito_3GLI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GLI-query.scw PDB file : Tito_Scwrl_3GLI.pdb: