Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQELANRLAIQNFVNAYMQETGKGYLLSFDQQSSTQQAFSSGSTLLTLPL-PSIQAECSVPLSY--VSRVGRHRLAALPKMCIDGQWQKFSAGTIVSLLLEELVIESQFKLDAASLLEKWIQSRDALLQFLKQRHNDFDDLVKAGQNFIESEQALILGHSMHPAPKSRNGFVHEDWLKFSPEHAGKTQLHYWLVHQNYIAEGCATE---QPISD-QVKDAIRWCLSESDLNLLKTHVEFKLLPLHPWQARYLQGKPWFEQLKQTGQLIDIGLRGWQFSPTTPIRTLASFNA--PWMVKTSLSVMITNSIRVNLAKECHRGEISYRLWHSDLGKKILK-QCPTLKAVNDPAWIALQID-GEIINETICIFRDQPFA---VQQQVTCIASLCQDHPNKELNRFNALFDQIAQKNQQTNFKEIALDWFDHFLKIGLAPLMYVYHKYGMAFESHQQNVLLELEDGFPKNLWLRDN-QGFHYIEEFATEIVEALPDLLE----------KAHAVG-PKDFVDERFSYYFFGNTLFGLINAIGATGYISEDELLIHLQQNLLQLLEQY--PDSTLLQGLLFNDSLPYKGNLLTRLHELDELIAPLEHQSVYVQLPNPLYVEQKDVSYA 3TO3 Chain:B ((20-597)) -YISVRRRVLRQLVESLIYEGIITPARIEKE----------EQILFLIQGLDEDNKSVTYECYGRERITFGRISIDSLIVRVQDGKQEIQSVAQFLEEVFRVVNV---EQTKLDSFIHELEQTIFKDTIAQYERCN---------KSYDELENHLIDGHPYHPSYKARIGFQYRDNFRYGYEFMRPIKLIWIAAHKKNATVGYENEVIYDKILKSEVGERKLEAYKERIHSMGCDPKQYLFIPVHPWQWENFIIS-NYAEDIQDKGIIYLGESADDYCAQQSMRTLRNVTNPKRPYVKVSLNILNTSTLRTLKPYSVASAPAISNWLSNVVSQDSYLRDESRVILLKEFSSVMYDTNKKATYGSLGCIWRESVHHYLGEQEDAVPFNGLYAKEKDG-TPIIDAWLNKY-----------GIENWLRLLIQKAIIPVIHLVVEHGIALESHGQNMILVHKEGLPVRIALKDFHEGLEFYRPFLKEMNK-CPDFTKMHKTYANGKMNDFFEMDRIECLQEMVLDALFLFNVGELAFVLADKYEWKEESFWMIVVEEIENHFRKYPHLKDRFESIQLYTPTFYAEQLTKRRLYIDV--------ESLVHEVPNPLYRARQ-----

General information: TITO was launched using: RESULT: Template: 3TO3.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 : 2889 -26002 -9.00 -47.80 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : -9.00 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.287

(partial model without unconserved sides chains): PDB file : Tito_3TO3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TO3-query.scw PDB file : Tito_Scwrl_3TO3.pdb: