Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIFVPNENHDPRINLAIEQYLLQEMPLDEPILLFYINEPSIIIGRNQNTLEEINRDYVEENGIHVVRRLSGGGAVYHDFGNLNFSFIMPDDGDSFRDFAKVTQPIIQALHELGVAG-AELKGRNDLVIDGMKFSGNAMYATNGRMFAHGTIMFDSDINEVVNALKVKKDKIESKGIKSIRSRVTNIKPFLPEEKQKMTTEEFRQEILLKIFGVESVEEVKTYELTDEDWKKINRISEEYYRNWDWNYGKSPDFNFSRQKRFSIGSIEVHLNVSEGMIKEAKIFGDFFGLGDISDVEKKLVGQKYDKASLSKIVSQIDVKKYFGAIEPEELLTLLY 5IDH Chain:A ((19-352)) MIFVPNENNDPRVNLAIETYLLTEMPLDEPILLFYINEPSIIIGRNQNTIEEINKEYVDEHGIHVVRRLSGGGAVYHDHGNLNFSFIMPDD-----DFAKVTQPIIQALHDLGV-EGAELKGRNDLVINDMKFSGNAMYATNGRMFAHGTLMFDSDIDEVVNTLK----------------RVTNIKPFLSEDKQEMTTEEFRQEILLKIFGVDSIDQVKTYELTDQDWAAINKISEQYYRNWDWNYGKSPAFNLERRHRFPIGSIEMKMNVADGAIQEIKIFGDFFGLGEIKDVEDILTGVKYDKASLEEAIDQIDVKKYFGNIEKEDLLGLIY

General information: TITO was launched using: RESULT: Template: 5IDH.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 : 1671 -14406 -8.62 -46.17 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.94 3D Compatibility (PKB) : -8.62 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.94 QMean score : 0.651

(partial model without unconserved sides chains): PDB file : Tito_5IDH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IDH-query.scw PDB file : Tito_Scwrl_5IDH.pdb: