Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTATVLFVILGLSIIAAMIGISTSANERANENLSFTVKTDRIVYDMTQQVITIPVKPNKSVNASDVHAVLTYGWDGNGSSEKVIGEVYLKDVQWTAGIEYTIMISAELSIDEIKSKDKVDLIVFYDGQMTITENLKPSSWTVVGPPSSTDSTSSESSTENTSGESSTESTSSESSTENTSSESSTESTSSESSTGSTSSESSTESTSSESSTGSMSSESSTGSTSSESSTGKVNNELDLVPIIPTKEQKRNAGSNLKSVLKQPDFVSRGIDHQEKAKETDNRKSDLPETGSRTLNKLITWMGVLLILIVGASYFRSLFHRVK 4NCD Chain:A ((1-51)) -----------------------------------NFMIYPISKDLKNGNS-ELVRVY-SKSKEIQYIKIYT-KKIINPG----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4NCD.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 : 49 -4442 -90.65 -105.76 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -90.65 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.087

(partial model without unconserved sides chains): PDB file : Tito_4NCD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NCD-query.scw PDB file : Tito_Scwrl_4NCD.pdb: