Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLTELSIKNQ----------------NVFVQ----HYIDGKEEMSSFFDYSIHHKDMWRERLEDLSSRFFAREELAAYLTSYHNKFGSSAMQSAIEKLKDPSSAAVVGGQQAGLLTGPLYTIHKIISIIVLAKQQEKELQVPVIPIFWVAGEDHDLDEINFVHTSEENG----PVKKKLPQSYWKKSSAASTSLDQEKCAAWIDDVFAAFEETDHTNTLLDNVKRCLRESVTFTDFFELLIADLFQEEGLVLLNSGDPGIKKLETAMFQKILRENDELARAVSDQQAFMRQAGYKPIIESGKEQANLFYEYEDERFLIEKDNGRFVIKELDLGWTRDELHTHMEEHPERFSNNVVTRPLMQEFLIPTLAFIAGPGEINYWGELKQAFAVMGFKMPPVMPRLNITILERHIEKKLAERNISLQDAIERGTENQRETYFERQIPEEFTAVMDQAKSQIEAIHKTVRQEALKVDQSLEPLLLKNAAFIQDQLQFLERTVMKRIEEKEGYVLKDYERIQNSIKPLLAPQERIWNIMYYLNRYGPKFFTTFKNLPFSFQNQHQVVKL 4MSX Chain:A ((63-482)) YAYLETVVREKLDFDSEKICCITLSPLNVYCCLVCGHYYQGRHEKSPAFIHSIDEN---HHVFLNLTSLKFYM--LPQNVQILH--------DGEVQLLNSIKFAA-----------YPTYCPKDLEDFPRQCFDLSNRTYLNGFIGF------TNAATYDYAHSVLLLISHMVPVRDHFLLNHFDNQGEFIKRLSICVKKIWSPKLF--------------------KHHLSVDDFVSYLKVR----EGL---NLNPIDPRLFLLWLFNKICSS--------SNDLKSILNHSCKGKVKIAKSESVTGKVIVKPFWVLTLDLPEFSPFE-DGNSVDDLPQINITKLLTKFTKTVFELTRLPQFLIFHFNRFDRNSD------------------HPVKNR-NQTLVEFSSELEILHVKYRLKANVVHVVIGDEKSHWITQLYDNKS----EKWIEIDGINTTERE---------------------AELLFLKETFIQVWEKQE----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4MSX.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 : 1732 -110600 -63.86 -298.11 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -63.86 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.071

(partial model without unconserved sides chains): PDB file : Tito_4MSX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MSX-query.scw PDB file : Tito_Scwrl_4MSX.pdb: