Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKPISLYIGLRYTRARRSNHFISFIALVSMVGLTLGVAVLITVLSVMNGFDRELKNRVLGMVPQATVSSTQILTDWPELVKRVENHPHMTGVAPFTQLQGMLTAQGQVAGIMVTGIDPKYEKNVSIIQNHIVAGSLDSLK---KGEFGIVLGKDMADSLGLRLNDSVTLVLPEATPSPAGVVPRFKRFKVVGIFSVGAEVDSMVGYIALYDASTLLRLPDGAQGVRLKLDDIFAAPQVADDIVKNLPSNFYATNWTYTHGNLFNAIQMEKTLVGLLLVLIIVVAAFNIVSSLVMVVTDKKSDIAILRTLGASPSMITKIFMVQGTVIGVIGTVAGTVLGVILALTISDIISWFNNVLGLNLFDAYFVHYLPSYLRWKDVTIIVIVSLLLSFLATIYPALRAAKVQPAEALRYE 5C59 Chain:B ((36-196)) ----------------------------------------------------------------------------KYDDLIAIQKQPWVASATPAVSQNLRLRYNNVDVAASANGVSGDYFN-VYG--MTFSEGNTFNQEQLNGRAQVVVLDSNTRRQLF-VVGEVILVG--------------NMPARVIGVA--------LRVWLPYSTMS------SWLNSITVRVKEGFDSAEAEQQLTRL------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5C59.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 634 -18755 -29.58 -138.93 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.47 3D Compatibility (PKB) : -29.58 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.47 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_5C59.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5C59-query.scw PDB file : Tito_Scwrl_5C59.pdb: