Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHSRPQISPERAAQLAAEWFEGQLDAPAELDSYADRNFLVRAPDGTKAVLKVPNVELAEDIDLQIAILKWLEARPSAPLVPRVLGPTRTIEDDAGRPTRAWMVGWIEGELWFDASPTPALREELGAALGQLARDLEDFRHPGMERHFAWNLAEANWIAEELHRFEDPARAELVCDALMQFQGRVLPRLAELPTQVIHGDANDKNLAVAEGRLVGVFDFGDACWCPAVCDLAIALAYAAMDLRLGCALPEVAAACAQVCAGYHGRRPLTALELDLLYDLLRARLAVSVTSSTRAREAEPDNAYVSASEQGAWSVLEALGAVGRRAFTATVAEACGLALAPRVPGARTGDELLAARRRRLGPSLSLSYASSGMPLYIRRGEGSWLFDEHDQAFLDCV--NNVCHVGHCHPRVVEAGAAQMARLNTNTRYLH----EGLVDYAEALCATLPAPLEVVYLVNSGSEANELALRLARDYTGGFDVAVLDAAYHGNTGNLV---DMSPYKFDAPGGRGRREWVHVLPTPDPYRGAHGDDGPAYAAALDAADAAARGRGSRLAALFCESVLGCAGQVVPASGFLAAAYARARAAGAVCIADEVQVGFGRVG--DGMWAFEAEGVVPDILTLGKPIGNGHPLGAVVTTRAIAEALG-GGRMEFFCTFGGNPVSAAVGAAVLAVIEDEGLVANARDTGSWLRGAFEQLAADPVLGRGIGEVRG-RGLFIGVELVEDRSTKRPDAARASAIVAHARARGVLLSTDGPARNVIKIKPPICFADVEARILASTLARALSATMR 2ZSM Chain:B ((39-377)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PFYVKRGEGAYLYTVDGARIVDLVLAYGPLILGHKHPRVLEAVEEALAR-----GWLYGAPGEAEVLLAEKILGYVKRG-GMIRFVNSGTEATMTAIRLARGYTGRDLILKFDGCYHGSHDAVLVAAG------GVPTSAGVPEAVARLTLVTPY-----ND-------VEALERVFAEYGDRIAGVIVEPVIANAGVIPPRREFLAALQRLSRESGALLILDEVVTGF-RLGLEGAQGYFNIEG---DIIVLGKIIGGGFPVGAVAGSREVMSLLTPQGKVFNAGTFNAHPITMAAGLATLKALEEEPVYSVSREAAKALEEAASEVLDRTGLPYTINRVESMMQLFIGVEEVSNAAQAR-----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2ZSM.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 : 1744 -17765 -10.19 -55.51 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -10.19 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.139

(partial model without unconserved sides chains): PDB file : Tito_2ZSM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2zsm-query.scw PDB file : Tito_Scwrl_2ZSM.pdb: