Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAMLPEWTTACPDWEERIVAKKSLMPCEPLFPQVADVAERIFKELILVDVMGSP--KMGDVTLDWVIE--FVRAIFGSYNPNTKRRLIREFFLLISKKNTKSTIAAGVMLVALLLNDRLSAELIILAPTKEVADNSFNP--IRDFIRADEELSAMINVSEHTKTVTHLGTGATLKV-IAAESNAAAGKKASIILIDEV--WLFGKRANAESMFREA---------KGGLASRPEGC--VIYLSTMSDEVPCGVFKQLLDYARDVR--DGIKEDKGFLPLIYEFPKRLVEAGEHLKPEHFYITNPNLGASVDL-------EYLISEFKKVKDAGEE--------SLRDFLAKHLNIEIGMNLRANRWAGAEYWNKQKHVFGLDQLIEQSDVITIGIDGGGLDDLLGYAVLGRLKKDPRVWWLWNHAWANKIALERRKENIPKYDDFKLEGSLTVV------DRVGDDIDQLAAIAKKVYDSGKLNKIGLDPLGLGGLLDGLLEAGIPEESMFAVPQGYKLMSYILTTERKLAEGNLYHAGQQLMTWAAGNARVVMVGNGMRITKQESGVGKIDPLIATFNAVALMSMNPEPTNKEYNVFFV 4YPL Chain:C ((5-542)) -----------LSDLEALRKKIEEVGMPEAVKTKALKELDRLERMQ-----QGSPEATVARTYLDWLTEVPWSKADPEVLDINHTRQVLDEDHYGLKDVKERILEYLAVRQLTQGLDVRNKAPILVLVGPPGVGKTSLGRSIARSMNRKFHRIS-LGGVRDEAEIRGHRRTYIGAMPGKLIHAMKQVGVINPVILLDQIDKMSSDWRGDPASAMLEVLDPEQNNTFTDHYLDVPYDLSKVFFITTANTLQT--IPRPLLDRMEVIEIPGYTNMEKQAIARQYLWPKQVRESG---MEGRIEVTDAAILRVISEYTREAGVRGLERELGKIARKGAKFWLEGAWEGLRTIDASDIPTYLG--IPRYRPDKAETEPQVGTAQGLAWTPVGGTLLTIEVAAVPGSGKLSLT--GQLG-----EVMKESAQAALTYLRAHTQDYGLPEDFYNKVDLHVHVPDGATPKDGPSAGITMATAIASALSRRPARMDIAMTGEVSLRGKVMPIGGVKEKLLAAHQA-GIHKIVLPKDNEAQLEELPKEVLEGL--------------------EIKLVEDVGEVLEYL-------LLPEPTMPPVV----

General information: TITO was launched using: RESULT: Template: 4YPL.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2333 82558 35.39 166.78 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain C : 0.63 3D Compatibility (PKB) : 35.39 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.194

(partial model without unconserved sides chains): PDB file : Tito_4YPL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YPL-query.scw PDB file : Tito_Scwrl_4YPL.pdb: