Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------MPLFSKRKNNTDSKDKQNTDERN-----QEQQQEKERPVLI-----SPSLAKNIAETKKEVGSSSDV-----------IIREIKIGEQDHVHLAVIYI--------------------------SGLVDNNTIHESLIDPLVQD--ESIQNTHAIQQILEKTLPLGGVKAEKSW------DKLFSELMLGNALIFA---DGHDEALICSTQGGEQRSIQEPSTQVSFRGPRQGFTESLQTNISMIRRYIKNPNLWVEKMKK------GSVTNTDIALMYIQGICD---EKVLKEVKQRLEKIDIDSI--LESGYIEQLIEDETFTTFPTMYHTERPDVVAGNLLEGRFAIIVDGTPFV----LIAPALFVQFFQSVEDYYSRFDIAT------SIRILRVLVFFI---SLVAPAVYVAATTFHQEMIPTQLLVVIAAQREIVPFPAVVEALTMEVAFEILREAGVRLPRVVGSAVSIVGALVIGQAAVQAGI------------VSPAMVIIVALTAIASFATPAFAMAIS--ARLIRFIFIIASAVMGFYGLILGIIMMFVHLCSLRSFGVPYMSPLAPFSSQGVKDAL----FRVPWWADEKRPESVSKEDKVRQG---------KDQRPEPAASRGMVNKDLEEGDQNGT 4WIS Chain:A ((19-719)) GVDFVIHYKVPAAERDEAEAGFVQLIRALTTVGLATEVRHGENESLLVFVKVASPDLFAKQVYRARLGDWLHGVRVSAPHNDIAQALQDEPVVEAERLRLIYLMITKPHNEWKHVESIFPLHSHSFNKEWIKKWSSKYTLEQTDIDNIRDKFGESVAFYFAFLRSYFRFLVIPSAFGFGAWLLLGQFSYLYALLCGLWSVVFFEYWKKQEVDLAVQWGVRGVSSIQQSRPEFEWEHEAEDPITGEPVKVYPPMKRVKTQLLQIPFALACVVALGALIVTCNSLEVFINEVYSGPGKQYLGFLPTIFLVIGTPTISGVLMGAAEKLNAMENYATVDAHDAALIQKQFVLNFMTSYMALFFTAFVYIPFGHILHPFLNFWRATAQTLTFSEKELPTREFQINPARISNQMFYFTVTAQIVNFATEVVVPYIKQQAFQAEFLQRVREECTLEEYDVSGDYREMVMQFGYVAMFSVAWP-LAACCFLVNNWVELRSDALKIAISSRRPIPWRTDSIGPWLTALSFLSWLGSITSSAIVYLCSNASPLKAWGLLLSILFAEHFYLVVQLAVRFVLSKLDSPGLQKERKERFQTKKRLLQENLGQDAAAAPGIEHSEKITREALEEEARQASIEMFWQRQRGMQETIEIGRRMIEQQLAAG-----

General information: TITO was launched using: RESULT: Template: 4WIS.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 : 1737 -161778 -93.14 -300.70 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -93.14 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.208

(partial model without unconserved sides chains): PDB file : Tito_4WIS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WIS-query.scw PDB file : Tito_Scwrl_4WIS.pdb: