Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNAIPTLTPLAMPCNSSFEAKDWEILSSHWYPVARIQDVSTAPQRVKLLDVNMALYKTESGEIHLVRDICPHRGVPLTKGWVDGEEIVCPYHGLRYNTEGKCTQIPAQPELTKISDRFSLTKFPVVQRYGLIWTSIHGRDIA-KANIPVLDTWDDAEHQAILPPFVDIGGSSGRQLEGFIDVAHFAWVHHNAFANRDNPIVPKYHTERTNYGLKTVYISNVSNYPHELKHL--EPEGFLWKRTFEVYPPFSAVLTVDFPEDG-------ILKILNACCPISSNKTRLFVPLTRNF---DQTGDLEKVYAFNAQIFAEDQDMVESQKP--EELPLDLMMEAHFEADRSSTTYRRILAEWGLSKRYTV 3GKE Chain:A ((2-341)) ----------------------ATFVRNAWYVAALPEELSEKPLGRTILDTPLALYRQPDGVVAALLDICPHRFAPLSDGILVNGHLQCPYHGLEFDGGGQCVHNPHGNG--ARPASLNVRSFPVVERDALIWIWPGDPALADPGAIPDFGCRVDPAYRTVG-GYGHVDCNYKLLVDNLMDLGHAQYVHRANAQTDAFDRLEREVIVGDGEIQALMKIPGGTPSVLMAKFLRGANTPVDAWNDIRWNKVSAMLNFIAVAPEGTPKEQSIHSRGTHILTPETEASCHYFFGSSRNFGIDDPEMDGVLRSWQAQALVKEDKVVVEAIERRRAYVEANGIRPAMLSCDEAAVRVSREIEKLEQLEAAR-

General information: TITO was launched using: RESULT: Template: 3GKE.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 : 1745 -66740 -38.25 -205.35 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -38.25 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.372

(partial model without unconserved sides chains): PDB file : Tito_3GKE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GKE-query.scw PDB file : Tito_Scwrl_3GKE.pdb: