Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAPTEEMISVQKLVERLNAEYAF--EVDYIGADLGGFSSQNNQLTLKDKRRMVLKRCDQSQWD------PRNVDIATILAHHSSLIYAPLATVGGSSTFKFDGWVYAVFPYVDGEKLHQHSLDAETLKSAARALYAFHHIAHFAGSHAAQR--PNVSDF-EREVTSVLEP-TLSLSTDH--ADIIIRSIEAKRHILHSFSSDLSSINVGASSVIHGDFHNENILYRS--DHVVAILDFEMLHWGNVEDDIISFIALGCCNNGF-------SEENLRMANIFVKEYLS--LHGENLDLHTALLRFIHLKSSSLFLQKMLIYTGNMLYAQIIERDNKLFPSIMKKHREISKTLSSL 4WH3 Chain:A ((7-292)) -------------VLFGIASHFALEGAVTGIEPYGDGHINTTYLVTTDGP-RYILQQMNTSIFPDTVNLMRNVELVTSTLKAQGKETLDIVPTTSGATWAEIDGGAWRVYKFIEHTVSYNLVPNPDVFREAGSAFGDFQNFLSE-FDASQLTETIAHFHDTPHRFEDFKAALAADKLGRAAACQPEIDFYLSHADQYAVVMDGL-RDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDEKDLSKVHFSTELFRAYTEGFVGELRGSITAREAELL-----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WH3.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 : 1076 -11797 -10.96 -45.20 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -10.96 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.293

(partial model without unconserved sides chains): PDB file : Tito_4WH3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4wh3-query.scw PDB file : Tito_Scwrl_4WH3.pdb: