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 4P1A Chain:C ((15-416)) -------KILIGLILGAIVGLILGHYGYAHAVHTYVKPFGDLFVRLLCMLVMPIVFASLVVGAA-SISPARLGRVGVKIVVYYLLTSAFAVTLGIIMARLFNPGAGIHLAVGGQQFQPHQAPPLVH--------------ILLDIVPTNPFGALANGQVLPTIFFAIILGIAITYLMNSENEKVRKSAETLLDAINGLAEAMYKIVNGVMQYAPIGVFALIAYVMAEQGVHVVGELAKVTAAVYVGLTLQILLVYFVLLK-IYGIDPISFIKHAKDAMLTAFVTRSSSGTLPVTMRVAKEMGISEGIYSFTLPLGATINMDGTALYQGVATFFIANALGSHLTVGQQLTIVLTAVLASIGTAGVPGAGAIMLCMVLHSVGLPLTDPNVAAAYAMILGIDAILDMGRTMVNVTGDLTGTAIVAKTE------------------

General information: TITO was launched using: RESULT: Template: 4P1A.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 : 1968 -374898 -190.50 -1005.09 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain C : 0.81 3D Compatibility (PKB) : -190.50 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.313

(partial model without unconserved sides chains): PDB file : Tito_4P1A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4P1A-query.scw PDB file : Tito_Scwrl_4P1A.pdb: