Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQDSKRATEKRRRINLTSKEISELLAEGIITIILLLLLNVSILVVISSVINSSPSLTNAIWDSKNIFAERLNTDLFWNGRNFIIPFFFLLDIGVLYWRLIRRYRQMQLRHIISELHYIANGNYDHRIPFELSGDLSRVVTSINGLVDSTVAAIEDERKIEKSKDELITNVSHDIRTPLTSIIGYLGLIEDGQYHSEEDLLKYTHTAYIKAKQMKSLVDDLFEYTKVRQPAVPVNFSAFDMIQLIEQLAADFELEASKKNIQILVQSKVDSLIMDGDTEKLVRVFNNLLTNALKYGKGATKIVIEVERIGSEVVATVKNNGAMIPQQAIDNLFDRFYRVEESRSQATGGTGLGLAIAQSIVA-LHGGYIYAKSDKQWTSFIMHLPIKKNEKLPIDTQEVIDES 3A0R Chain:A ((134-343)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------EMTARVAHEIRNPITIIGGFIMRMKK-HLDDPETLKKYINIITNELSRLETIVKEILEYSKER-V---LEFTEFNLNELIREVYVLFEEKIRKMNIDFCFETDNEDLRVEADRTRIKQVLINLVQNAIEATGENGKIKITSEDMYTKVRVSVWNSGPPIPEELKEKIFSPFF------TT------LGLSICRKIIEDEHGGKIWTENRENGVVFIFEIP------------------

General information: TITO was launched using: RESULT: Template: 3A0R.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 : 785 -82472 -105.06 -408.27 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -105.06 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.413

(partial model without unconserved sides chains): PDB file : Tito_3A0R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A0R-query.scw PDB file : Tito_Scwrl_3A0R.pdb: