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 4P19 Chain:A ((15-416)) -------KILIGLILGAIVGLILGHYGYAHAVHTYVKPFGDLFVRLLCMLVMPIVFASLVVGAA-SISPARLGRVGVKIVVYYLLTSAFAVTLGIIMARLFNPGAGIHLAVGGQQFQPHQAPPLVH--------------ILLDIVPTNPFGALANGQVLPTIFFAIILGIAITYLMNSENEKVRKSAETLLDAINGLAEAMYKIVNGVMQYAPIGVFALIAYVMAEQGVHVVGELAKVTAAVYVGLTLQILLVYFVLLK-IYGIDPISFIKHAKDAMLTAFVTRSSSGTLPVTMRVAKEMGISEGIYSFTLPLGATINMDGTALYQGVATFFIANALGSHLTVGQQLTIVLTAVLASIGTAGVPGAGAIMLCMVLHSVGLPLTDPNVAAAYAMILGIDAILDMGRTMVNVTGDLTGTAIVAKTE------------------

General information: TITO was launched using: RESULT: Template: 4P19.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 : 1944 -380932 -195.95 -1021.26 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -195.95 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.309

(partial model without unconserved sides chains): PDB file : Tito_4P19.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4P19-query.scw PDB file : Tito_Scwrl_4P19.pdb: