Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKDRIERAAAFIKQNLPESPKIGLILGSGLGILADEIENPVKLKYEDIPEFPVSTVEGHAGQLVLGTLEGVSVIAMQGRFHFYEGYSMEKVTFPVRVMKALGVEALIVTNAAGGVNTEFRAGDLMIITDHIN---FMGTNPLIGPNEADFGARFPDMSSAYDKDLSSLAEKIAKDL--NIPIQKGVYTAVTGPSYETPAEVRFLRTMGSDAVGMSTVPEVIVANHAGMRVLGISCISNAAAGILD----QPLSHDEVMEVTEKVKAGFLKLVKAIVAQYE 3PHB Chain:S ((46-315)) -----KNTAEWLLSHTKHRPQVAIICGSGLGGLTDKLTQAQIFDYSEIPNFPRSTVPGHAGRLVFGFLNGRACVMMQGRFHMYEGYPLWKVTFPVRVFHLLGVDTLVVTNAAGGLNPKFEVGDIMLIRDHINLPGFSGQNPLRGPNDERFGDRFPAMSDAYDRTMRQRALSTWKQMGEQRELQEGTYVMVAGPSFETVAECRVLQKLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKV--IMDYESLEKANHEEVLAAGKQAAQKLEQFVSILMA---

General information: TITO was launched using: RESULT: Template: 3PHB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain S - contact count / total energy / energy per contact / energy per residue : 1440 -117696 -81.73 -450.94 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain S : 0.84 3D Compatibility (PKB) : -81.73 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.618

(partial model without unconserved sides chains): PDB file : Tito_3PHB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PHB-query.scw PDB file : Tito_Scwrl_3PHB.pdb: