Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQAIEKRNSLFNSLTQAVFDKNMANFWLQKINPLWSVQHGLVQIVKKEFVAHDTVSLTLKCNRLVKMGAAGQHHPVIVEIAGRRYERTYSLTQIDA-EHLRLTVKKVADGIVSNWFIAESKIGDVFELGQPYGDMQQNI-QTPKLIMLAAGSGITPMLSLITAIKQSQQLEKTQVQLLYWVKQRSDAAFTEYFEQVAEQNPNFSYQVFYTQETP------NDERLNAEHLALV-DGIENSTVYACGPSGFISTVEQLFE-KAP----TVLTEAFSLINESSADDIGYVNVTLTQSNKVIAIPKGQSILVSLEHEGLKPTHGCRMGICNKCVCSKTQGSTRNLLNGSQNTEPSQLLKICVNSAQSDLVIDL 4WQM Chain:A ((102-326)) --------------------------------------RFSTRVVSKRFLSDEMFELRLEAEQKV-VFSPGQYFMVDVPEL---GTRAYSAANPVDGNTLTLIVKAVPNGKVSCALAN--ETIETLQLDGPYGLSVLKTADETQSVFIAGGSGIAPMVSMVNTLIAQ--GYEKPITVFYGSRLEAELEAAETLFGWKENL---KLINVSSSVVGNSESSYPTGYVHEI-IPEYMEGLLGAEFYLCGPPQMINSVQKLLMIENKVPFEAIHFDRFF-----------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WQM.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 : 1159 -33763 -29.13 -160.01 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -29.13 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.408

(partial model without unconserved sides chains): PDB file : Tito_4WQM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WQM-query.scw PDB file : Tito_Scwrl_4WQM.pdb: