Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTVHAKGNVLNKIGIPSHMVWGYIGVVIFMVGDGLEQGWLSPFLVDH-GLSMQQSASLFTMYGIAVTISAWLSGTFVQTWGPRKTMTVGLLAFILGSAAFIGWAI--------PHMYYPAL---LGSYALRGLGYPLFA-----YSFLVWVSYSTSQNILGKAVGWFWFMFTCGLNVLGPFYSSYAVPAFGEINTL---WSALLFVAAGGILALFFNKDKFTPIQ--KQD-Q--PKWKELSKAFTIMFENPKVGIGGVVKTINAIGQFGFAIFLPTYLA-RYGYSVSEWLQIWGTLFFVNIVFNIIFGAVGDKLGWRNTVMW---FGGVGCGIFTLALYYTPQLIGHQYWVLMIIACCYGAALAGYVP-LSALLPTLAP-DNKGAAMSVLNLGSGLCAFIAPGIVSLFIGPLGAGGVIWIFAALYFFSAFLTRFLTISEQSTDVYTEERFVRENVQTNFDKTVKQ 5AYN Chain:A ((7-410)) ----------------LRIETQLLLGRLLTRSGDQAWDFVVPFALLVIFPGKLQVAAFYYLIVKIGTFLLTPSSGKWIDTHPRIQVVKWGVWLQFFAILAGMVFFGMLDGLVRAGGRESWLLSVLFIALALSGVMASLGSQITDISVGNDLAPSLVAPEKLTHFNSWLRRIDLATE-VGAPILAGALF-------PLAGLFLIGLWNLVSFVPEYFLLRNVIQRSGLKIKVLTEA-------INLRGSFSDPIFWLILSYALLWLSVLSPHGVLLAAYLKDEMRLPETEIGLFRGLGAVFGLISTVSFPYLVRRLGLISSSRWHLGFQGVTLGIAVTAFAMGS---TASVYVFLGCILLSRVGLYGFSNGEFELRQRLIPEGRRGELNSLSSLTTTSATLILFSAGSLLPQTEDFKYLVYVSL-------------------------------------------

General information: TITO was launched using: RESULT: Template: 5AYN.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 : 1567 -172417 -110.03 -481.61 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -110.03 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.237

(partial model without unconserved sides chains): PDB file : Tito_5AYN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AYN-query.scw PDB file : Tito_Scwrl_5AYN.pdb: