Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MM--------EVGILPVHVLYVFFIGAII-LFMLLRKDTTFISLFGIFIISLWASHSLSASVSSLFHSFIYAAGELLPTIFIICFIVSMSDLLTKTGINEAMISPFASLVRGPVTAYWLIGGLMFAISLFFWPSPGVA----LIGAVLLPAAARAGLTPLAAAMAMNLFGHGFALSGDFVIQAAPKLTADAAGIPVGDVVSASIPLVLIMGVTTTTAAFIMIQRERKKQEHPTSFSPVLSGEQDNSLYLPKRLRSILAFLIPLAFL------ADIACMLLFNLQGNDATALIGGSAICILFTVHFFVYKHKGLEKITGYFIDGFKFGFKVFGPVIPIAAFFYLGDSGYESILGTSLPKGSHGIVNDLGIAL-SHMMPMSKELAATALTAAGAITGLDGSGFSGISLAGSIAKLFSSALHADPAILTALGQISAIWVGGGTLVPWALIPAAAICKVDPFELARKNFIPVAIGLLVTTLAAVMML 4QRN Chain:A ((22-373)) SMTQDLKTGGEQGYLRIATEEAFATREIIDVYLRMIRDGTA----DKGMVSLWGFYAQSPS---------ERATQILERLLDLG--ERRIADMDATGIDKAILAL---------------------------TSPGVQPLHDLDEARTLATRANDTLADACQKYPDRFIGMGTVAPQD-PEWSAREIHRGARELG-----------------------FKGIQINSHTQ-----------GRYLDEEFFDPIFRALVEVDQPLYIHPATSPDSMIDPMLEAGLDGAIFGFGVETGMHLLRLITIGIFDKYPSLQIMVGH--------------------------------MGEALPYWLYRLDYMHQAGVRSQRYERMKPLKKTIEGYLKSNVLVTNSG-----VAWEPAIKFCQQVMGEDRVMYAMD------------YPYQYV-ADEVRAMDAMDMS----AQTKKKFFQTNAEKWFKL

General information: TITO was launched using: RESULT: Template: 4QRN.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 : 1730 -210399 -121.62 -633.73 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -121.62 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.229

(partial model without unconserved sides chains): PDB file : Tito_4QRN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QRN-query.scw PDB file : Tito_Scwrl_4QRN.pdb: