Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------MASNRYHSINEIMESQLFYQITTPPKKTQKAQYDPEVEKFLEIIEFVKENGREPQKVPTDLTERSLASRLIGIRKDPDRM-EYLKEYDEIGLLEVRSKELTIPKISSIDDILKSGLSALLGDNLNNDITRSIF----DTSSLQ-----KVTTMPEYVAKRKKIKDF--------------GKFEELFKKCHKEITEGKRK-------------------ILTFKNEQDIQSNSF------------YILKGVLLYVEDVGERKKAKGK-------TNARLRCIFENGTESDMLLRSLSAELYKHGRRVTD----NEDTLLDNVREDDVSTGF---------------IYVLKSLSTDP--------QISSIKNLYKIGFTTGSVENRIRNAENQSTYLYAPV-----------EIVTTYQVFNMNASK--------FETAIHHALANNNLDVSIL---------------GANGKMLVPKEW----FVV------TLEDLQAVIDEIVMMVHLYD------------------- 4YPL Chain:C ((5-542)) LSDLEALRKKIEEVGMPEAVKTKALKELDRLERMQQGSPEATVARTYLDWLTEVPWSKADPEVLDINHTRQVLDEDHYGLKDVKERILEYLAVRQLTQGLDVRNKAPILVLVGP-PGVGKTSLGRSIARSMNRKFHRISLGGVRDEAEIRGHRRTYIGAMPGKLIHAMKQVGVINPVILLDQIDKMSSDWRGDPASAMLEVLDPEQNNTFTDHYLDVPYDLSKVFFITTANTLQTIPRPLLDRMEVIEIPGYTNMEKQAIARQYLWPKQVRESGMEGRIEVTDAAILRVISEYTREAG--VRGLERELGKIARKGAKFWLEGAWEGLRTIDASDIPTYLGIPRYRPDKAETEPQVGTAQGLAWTPVGGTLLTIEVAAVPGSGKLSLTGQLGEVMKESAQAALTYLRAHTQDYGLPEDFYNKVDLHVHVPDGATPKDGPSAGITMATAIASALSRRPARMDIAMTGEVSLRGKVMPIGGVKEKLLAAHQAGIHKIVLPKDNEAQLEELPKEVLEGLEIKLVEDVGEVLEYLLLPEPTMPPVV

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 : 1251 -68672 -54.89 -181.19 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain C : 0.63 3D Compatibility (PKB) : -54.89 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.204

(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: