Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKDRIERAAAFIKQNLPESPKIGLILGSGLGILADEIENPVKLKYEDIPEFPVSTVEGHAGQLVLGTLEGVSVIAMQGRFHFYEGYSMEKVTFPVRVMKALGVEALIVTNAAGGVNTEFRAGDLMIITDHIN---FMGTNPLIGPNEADFGARFPDMSSAYDKDLSSLAEKIAKDL--NIPIQKGVYTAVTGPSYETPAEVRFLRTMGSDAVGMSTVPEVIVANHAGMRVLGISCISNAAAGILD----QPLSHDEVMEVTEKVKAGFLKLVKAIVAQYE 3GGS Chain:B ((33-302)) -----KNTAEWLLSHTKHRPQVAIICGSGLGGLTDKLTQAQIFDYGEIPNFPRSTVPGHAGRLVFGFLNGRACVMMQGRFHMYEGYPLWKVTFPVRVFHLLGVDTLVVTNAAGGLNPKFEVGDIMLIRDHINLPGFSGQNPLRGPNDERFGDRFPAMSDAYDRTMRQRALSTWKQMGEQRELQEGTYVMVAGPSFQTVAECRVLQKLGADAVGMSTVPEVIVARHCGLRVFGFSLITDKV--IMDYESLEKANHEEVLAAGKQAAQKLEQFVSILMA---

General information: TITO was launched using: RESULT: Template: 3GGS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1333 -127528 -95.67 -488.61 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -95.67 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.558

(partial model without unconserved sides chains): PDB file : Tito_3GGS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GGS-query.scw PDB file : Tito_Scwrl_3GGS.pdb: