Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTKPFYRDTWAEIDLSAIKENVSNMKKHIGEHVHLMAVVKANAYGHGDAETAKAALDAGASCLAVAILDEAISLRKKGLKAPILVLGAVPPEYVAIAAEYDVTLTGYSVEWLQEAARHTKKGS---LHFHLKVDTGMNRLGVKTEEEVQNVMAILDRNPRLKCKGVFTHFATADEKERGYFLMQFERFKELIAPLPLKNLMVHCANSAAGLRLKKGFFNAVRFGIGMYGLRPSADMSDEIPFQLRPAFTLHSTLSHVKLIRKGESVSYGAEYTAEKDTWIGTVPVGYADGWLRKLKGTDILVKGKRLKIAGRICMDQFMVELDQEYPPGTKVTLIGRQGDEYISMDEIAGRLETINYEVACTISSRVPRMFLENGSIMEVRNPLLQVNISN 3E6E Chain:A ((5-370)) -----WHRPTRLHIDTQAITENVQKECQRLPEGTALFAVVKANGYGHGAVESAKAAKKGGATGFCVALLDEAIELREAGVQDPILILSVVDLAYVPLLIQYDLSVTVATQEWLEAALQQLTPESNTPLRVHLKVDTGMGRIGFLTPEETKQAVRFVQSHKEFLWEGIFTHFSTADEIDTSYFEKQAGRFKAVLAVLEELPRYVHVSNSATALWHPDVPGNMIRYGVAMYGLNPSGNKLAP-SYALKPALRLTSELIHVKRLAAGEGIGYGETYVTEAEEWIGTVPIGYADGWLRHLQGFTVLVNGKRCEIVGRVCMDQCMIRLAEEVPVGPVVTLVGKDGNEENTLQMVAEKLETIHYEVACTFSQRIPREY--------------------

General information: TITO was launched using: RESULT: Template: 3E6E.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 : 2081 -246203 -118.31 -678.25 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -118.31 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.583

(partial model without unconserved sides chains): PDB file : Tito_3E6E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3E6E-query.scw PDB file : Tito_Scwrl_3E6E.pdb: