Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTKPFYRDTWAEIDLSAIKENVSNMKKHIGEHVHLMAVVKANAYGHGDAETAKAALDAGASCLAVAILDEAISLRKKGLKAPILVLGAVPPEYVAIAAEYDVTLTGYSVEWLQEAARHTKKGS--LHFHLKVDTGMNRLGVKTEEEVQNVMAILDRNPRLKCKGVFTHFATADEKERGYFLMQFERFKELIAPLPLKNLMV---HCANSAAGLRLKKGFFNAVRFGIGMYGLRPSADMSDEIPFQLRPAFTLHSTLSHVKLIRKGESVSYGAEYTAEKDTWIGTVPVGYADGWLRKLKGT-DILVKGKRLKIAGRICMDQFMVEL-DQE-YPPGTKVTLIGRQGDEYISMDEIAGRLETINYEVACTISSRVPRMFLENGSIMEVRNPLLQVNISN 4Y2W Chain:B ((7-378)) -------RPTRVEVYLDAITHNFREIKKIVGKNVKIMAVIKGDAYGHGASYVAKFLEKEGVDYFGVATTEEALELREKGIKTPILIFGYTPPTQLRQIVKHDLTQTVYDIKYAKELEKESLKQNKRAKVHIKIDTGLGRIGYIDFDLAQKEILEMANMRGLILEGIYSHFAAASEDDRDYCKEQFDKFMNLISSLEKKRLKIPLKHIANAAAILNLNYSHLDMVRPGIILFGAYPSKRVERKV--ELRETLRFTTRVVHLKDVPAGFFIGYGKSFVTKRKSVIATIPVGYADGLDRRLSNNYKLLLKGKYVPIVGRVCMDQCMIDVTDVEGVEIGDEVVIIGTQNNETVSVESMADKIETIPQEVFSRISRRVPRVYFYDG----------------

General information: TITO was launched using: RESULT: Template: 4Y2W.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 : 2022 -263617 -130.37 -724.22 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -130.37 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.568

(partial model without unconserved sides chains): PDB file : Tito_4Y2W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Y2W-query.scw PDB file : Tito_Scwrl_4Y2W.pdb: