Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MWEQLYDPFGNEYVSALVALTPILFFL--LALTVLKMKGILAAFLTLAVSFFVSVWAFHMPVEKAISSVLLGIGSGLWPIGYIVLMAVWLYKIAVKTGKFTIIRSSIAGISPDQRLQLLLIGFCFNAFLEGAAGFGVPIAISAALLVELGFKPLKAAALCLIANAASGAFGAIGIPVITGAQIGDLSALELSR---TLMWTLPMISFLIPFLLV---FLLDRMKGIKQTWPALLVVSGGYTAVQTLTMAVLGPEL-----ANILAALFSMGGLALFLRKWQPKEIYREEGAGDAGEKKAYRAADIAKAWSPFYILTAAITIWSLPAFKALFQEGGLLYQSTLLFKMPFLHQQIMKMPPIAPSAMPLDAVFKVDLLSATGTAILAA-----VIVTGLFSKKFSSRDAFASLKETGKELWVPIMTICFVMGFANLANFAGLSSSIGLALAKTGDLFPFVSPVLGWIGVFITGSVVSNNALFGHLQVVTGAQIGAGSDLLLAANTAGGVMAKLVSP------QSIAIAAAAVGQTGKESKLFKRTVAYSLILLLIICIWTFILARLGV 4O2X Chain:A ((5-483)) EGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAAT-----------------------GDGP----DIIFWAHDRFGGYAQSGLL-------AEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEA---------------LSLIYNK-----DLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTING--------------------------PWAWSNIDTSKVNYGVTVLPTFKGQP-------------SKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEI----------MPNIPQMSAFWYAVRTAVINAASGRQTVDEALAAAQTNAAANLEKIKKLRNVIT--SAWKVILYNDDIHNFTYVTDVIVKVVGQISKAKAHTITVEAHSTGQALILSTWKSKAEKYCQELQQNGLTVSIIHES---

General information: TITO was launched using: RESULT: Template: 4O2X.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 : 2334 -347206 -148.76 -801.86 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -148.76 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.193

(partial model without unconserved sides chains): PDB file : Tito_4O2X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4O2X-query.scw PDB file : Tito_Scwrl_4O2X.pdb: