Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNAIPTLTPLAMPCNSSFEAKDWEILSSHWYPVARIQDVSTAPQRVKLLDVNMALYKTESGEIHLVRDICPHRGVPLTKGWVDGEEIVCPYHGLRYNTEGKCTQIPAQPELTKISDRFSLTKFPVVQRYGLIWTSIHGRDIAK-ANIPVLDTWDDAEHQAILPPFVDIGGSSGRQLEGFIDVAHFAWVHHNAFANRDNPIVPKYHTERTNYGLKTVYISNVSNYPHELK-HLEP---EGFLWKRTFEVYPPFSAVLTVDF-PE------DGILKILNACCPISSNKTRLFVPLTRNFDQTGD--LEKVYAF-NAQIFAEDQDMVESQKPEELPLDLM--MEAHFEADRSSTTYRRILAEWGLSKRYTV 3GOB Chain:C ((3-341)) -----------------------TFVRNAWYVAALPEELSEKPLGRTILDTPLALYRQPDGVVAALLDICPHRFAPLSDGILVNGHLQCPYHGLEFDGGGQCVHNPHGNG--ARPASLNVRSFPVVERDALIWIWPGDPALADPGAIPDFGCRVDPAYRTV-GGYGHVDCNYKLLVDNLMDLGHAQYVHRANAQTDAFDR-LEREVIVGDGEIQALMKIPGGT-PSVLMAKFLRGANTPVDAWNDIRWNKVSAMLNFIAVAPEGTPKEQSIHSRGTHILTPETEASCHYFFGSSRNFGIDDPEMDGVLRSWQAQALVKEDKVVVEAIERRRAYVEANGIRPAMLSCDEAAVRVSREIEKLEQLEAAR-

General information: TITO was launched using: RESULT: Template: 3GOB.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 : 1648 -65135 -39.52 -202.28 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain C : 0.67 3D Compatibility (PKB) : -39.52 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.399

(partial model without unconserved sides chains): PDB file : Tito_3GOB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GOB-query.scw PDB file : Tito_Scwrl_3GOB.pdb: