Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGVDISSTSVKLLELSVKNGKYWVESYALMPLPENSVVEKNILNPEAVAEALERAMNLAN----PQ-TTHAAIAVPTSTVI------H-------KTIEMDADMSDD--EREVQIRVDAEQY-----IPFPLDEVSLDFEVLPDRLANPNRVNVLLVATRTENVETRVEVLELADLNPKLADVESYAVERTFSVFADSLPIGAN-TIGILDIGHTMTTLSVMQNGKIIYTREQVFGGKQLTLEIQSRYGLSLEEASRAKKDRSLP------------------------DDYEIEVLDPFLDAVVQQAARSLQFFFSSS----QFNEIDHILLAGGNANIPGLAKLLQQKLGYRVTIANPFLQMGFSPQVDVQKIENDASSLMVACGLALRSFD 4A2B Chain:A ((11-392)) TSIDIGSRYIKGLVLGKRDQEWEALAFSSV--KSRGLDEGEIKDAIAFKESVNTLLKELEEQLQKSLRSDFVISFSSVSFEREDTVIERDFGEEKRSITLDI-LSEMQSEALEKLKENGKTPLHIFSKRYLLDDERIVFNPLDMKAS-KIAIEYTSIVVPLKVYEMFYNFLQDTVKSPFQLKSSLVSTAEGVLTTPE-----KDRGVVVVNLGYNFTGLIAYKNGVPIKISYVPVGMKHVIKDVSAVLDTSFEESERLIITHGNAVYNDLKEEEIQYRGLDGNTIKTTTAKKLSVIIHARLREIMSKSKKFFREVEAKIVEEGEIGIPGGVVLTGGGAKIPRINELATEVFKSPVRTGCYANS-DRPSIINAD-EVANDPSFAAAFGNVFAVS-

General information: TITO was launched using: RESULT: Template: 4A2B.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 : 1569 8045 5.13 24.53 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 5.13 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.425

(partial model without unconserved sides chains): PDB file : Tito_4A2B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4A2B-query.scw PDB file : Tito_Scwrl_4A2B.pdb: