Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVLLKKGFAILAASFLAIGLAACSSSKNPASSDGKKVLTVSVEETYKEYIESIKTKFEKENDVTVKIVEKQMFEQLEALPLDGPAGNAPDVMLAAYDRIGGLGQQGHLLDIKPS-NTKSFGDKEMQQVTVDGKVYGMPLVIETLILYYNKDLLKTAPKTFKDLEKLTEDPRFAFASEKGKSTGFLAKWTDFYMSYGLLAGYGGYVFGKNG--TDSGDIGLNNKGAVEAVKYAEKWFE-TYWPKGMQDNSSADDFIQQMFLEGKAAAIIGGPWSAANYKEAKLNYGAAPIPTLPNGEEYAPFAGGKGWVASKYTKEPELAEKWLEY-AANDANAYAFYEDTNEVPANTAARKKADEQKNELTSAVIKQYETATPTPNIPEMAEVWTGAESLIFDAASGKKSTQTSANDAVNVIKENIKEKYVK 2GHA Chain:A ((3-374)) -----------------------------------PKLTIWCSEKQVDILQKLGEEFKAKYGVEVEVQYVNFQDIKSKFLTAAPEGQGADIIVGAHDWVGELAVNGLIEPIPNFSDLKNFYETALNAFSYGGKLYGIPYAMEAIALIYNKDYVPEPPKTMDELIEIAKQIDEEFG--GEV-RGFITSAAEFYYIAPFIFGYGGYVFKQTEKGLDVNDIGLANEGAIKGVKLLKRLVDEGILDPSDN-----YQIMDSMFREGQAAMIINGPWAIKAYKDAGIDYGVAPIPDLEPGVPARPFVGVQGFMVNAKSPNKLLAIEFLTSFIAKKETMYRIYLGDPRLPSRKDVLEL-V-KDNPDVVGFTLSAANGIPMPNVPQMAAVWAAMNDALNLVVNGKATVEEALKNAVERIKAQIQ-----

General information: TITO was launched using: RESULT: Template: 2GHA.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 : 2127 -13344 -6.27 -36.36 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -6.27 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.481

(partial model without unconserved sides chains): PDB file : Tito_2GHA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GHA-query.scw PDB file : Tito_Scwrl_2GHA.pdb: