Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDFSLELPVRTNKPRETGQSILIDNGYPLQFFKDAIAGASDYIDFVKFGWGTSLLTKDLEEKISTLKEHDITFFFGGTL-----FEKY--VSQKKVNEFHRYCTYFGCEYIEISNGTLPMTNKEKAAYIADFSDEFLVLSEVGSKDAELASRQSSEEWLEYIVEDMEAGAEKVITEARESGTGGICS--SSGDVRFQIVDDIISSDIDINRLIFEAPNKTLQQGFIQKIGPNVNLANIPFHDAIALETLRLGLRSDTFFL 2CW6 Chain:A ((121-260)) ---------------------------------------------------------QRFDAILKAAQSANISVR--GYVSCALGCPYEGKISPAKVAEVTKKFYSMGCYEISLGDTIGVGTPGIMKDMLSAVMQEVP-LAALAVHCH-----DTYGQALANTLMALQMGVSVVDSSVAGL-GGCPYAQGASGNLATEDLVYMLEG-------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2CW6.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 : 569 -54698 -96.13 -417.54 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -96.13 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.350

(partial model without unconserved sides chains): PDB file : Tito_2CW6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CW6-query.scw PDB file : Tito_Scwrl_2CW6.pdb: