Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKYIINHSNDTAFNIALEEYA-FKHLLDEDQIFLLWINKPSIIVGRHQNTIEEINRDYVRENGIEVVRRISGGGAVYHDLNNLNYTIISKEDENKAFDFKSFSTPVINTLAQLGVK-AEFTGRNDLEIDGKKFCGNAQAYINGRIMHHGCLLFDVDLSVLANALKVSKDKFESKGVKSVRARVTNIINELPK---KITVEKFRDLLLEYMKKEYPEMT--EYVFSEEELAEINRIKDTKFGTWDWNYGKSPEFNVRRGTKFTSGKVEVFANVTESKIQDIKIYGDFFGIEDVAAVEDVLRGVKYEREDVLKALKTIDITRYFAGISREEIAEAVVG 5IDH Chain:A ((19-352)) MIFVPNENNDPRVNLAIETYLLTEMPL-DEPILLFYINEPSIIIGRNQNTIEEINKEYVDEHGIHVVRRLSGGGAVYHDHGNLNFSFIMPDD-----DFAKVTQPIIQALHDLGVEGAELKGRNDLVINDMKFSGNAMYATNGRMFAHGTLMFDSDIDEVVNTLK----------------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 : 1598 11828 7.40 38.65 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : 7.40 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.524

(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: