Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------------MNFARQHF--RKHQAKSAAEQAAEFGSMKNATAYELQ------------LMQLNNDR---ARLKQIQSTENKIKLKAELLPTYA-PYIDGILEA---QSGVQDEILTEIMIWNI--DTSNFSRALQIAEYVLVHNL---ALPDRFERT--PACVITEEISAAFLK--QLKTNVEIDIDVLKQLESLMTNPDLPEKTLDMPDQVKAKMYLALGKAEIRFISDKDKPDLVHTKAAADYLQKAVELDDKCG-----GRGDLNMVQKLLDKFAPATEANKGDAAASS----------------------------- 4YUS Chain:A ((17-366)) MKRLTYISKFSRPLSGDEIEAIGRISSQKNQQANVTGVLLCLDGIFFQILEGEAEKIDRIYERILADERHTDILCLKSEVEVQERMFPDWSMQTINLDENTDFLIRPIKVLLQTLTESHRILEKYTQPSIFKIISQGTNPLNIRPKAVEKIVFFSDIVSFSTFAEKLPVEEVVSVVNSYFSVCTAIITRQGGEVTKFIGDCVMAYFDGDCADQAIQASLDILMELEILRNSA--PEGS--PLRVLYSGIGLAKGKVIEGNIGSELKRDYTILGDAVNVAARLEALTRQLSQALVFSSEVKNSATKSWNFIWLTDSELKGKSESIDIYSIDNEMTRKSSGGLEIARNIGHYLERV

General information: TITO was launched using: RESULT: Template: 4YUS.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 : 923 45981 49.82 188.44 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 49.82 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.251

(partial model without unconserved sides chains): PDB file : Tito_4YUS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YUS-query.scw PDB file : Tito_Scwrl_4YUS.pdb: