Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLIAFQILIALAVGAVIGHFFPDFGMA------LRPVGDGFIRLIKMIVVPIVFSTIVIGAAGSGSMKKMGSLGIKTIIWFEVITTLVLGLGLLLANVLKPGVGLDLS--------HLAKKDIHELSGYTDKVVDFKQMILDIIPTNIIDVMARNDLLAVIFFAILFGVA--------AAGIGKASEPVMKFFESTAQIMFKLTQIVMVTAPIGVLALMAASVGQYGIELLLPMFKLVGTVFLGLFL-ILFVLFPLVGLIFQIKYFEVLKMIWDLFLIAFSTTSTETILPQLMDRMEKYGCPKRVVSFVVPSGLSLNCDGSSLYLSVSCIFLAQAFQVDMTLSQQLLMMLVLVMTSKGIAAVPSGSLVVLLATANAVGLP------AEGVAIIAGVDRVMDMARTGVNVPGHAIACIVVSKWEKAFRQKEWVSANSQTESI 2NWW Chain:A ((15-416)) -------KILIGLILGAIVGLILGHYGYAHAVHTYVKPFGDLFVRLLKMLVMPIVFASLVVGAA-SISPARLGRVGVKIVVYYLLTSAFAVTLGIIMARLFNPGAGIHLAVGGQQFQPHQAPPLVH--------------ILLDIVPTNPFGALANGQVLPTIFFAIILGIAITYLMNSENEKVRKSAETLLDAINGLAEAMYKIVNGVMQYAPIGVFALIAYVMAEQGVHVVGELAKVTAAVYVGLTLQILLVYFVLLK-IYGIDPISFIKHAKDAMLTAFVTRSSSGTLPVTMRVAKEMGISEGIYSFTLPLGATINMDGTALYQGVCTFFIANALGSHLTVGQQLTIVLTAVLASIGTAGVPGAGAIMLAMVLHSVGLPLTDPNVAAAYAMILGIDAILDMGRTMVNVTGDLTGTAIVAKTE------------------

General information: TITO was launched using: RESULT: Template: 2NWW.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 : 1929 -365583 -189.52 -980.11 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -189.52 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.285

(partial model without unconserved sides chains): PDB file : Tito_2NWW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NWW-query.scw PDB file : Tito_Scwrl_2NWW.pdb: