Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFQRPKGTNDILPGESEKWQFVEETARLLFRDYQYNEMRTPIFEHYEVISRSVGDTTDIVSKEMYDFYDKGE--RHVTLRPEGTAPIVRSFVEHKLFGPEYAKPFKTFYMGPMFRYERPQKGRLRQFHQIGVEAFGSENPATDVESMVMALDFFKQLGIT-QIRLVINSLGDKETRQAYRQALIDYLLPFESELSEDSKRRLHENPLRVLDSKDKRDQKFVAEAPSILDYLSEPAQKHFDTVVSMLDALAVPYEIDSNMVRGLDYYTHTIFEIMSDAPKMGAQATICAGGRYDNLVEELGGP---STPGFGFAMGIERLLLTMEAEEVVIPAFNELDAYVVALGDETNIEALKVVQAIRNF------GFSADRDFMNRKAKAQFKTADKANAKLVLVIGEDELASQTINVKAMASRKEKSFPLEEIYEHFDEVYDEMTLFE 5E3I Chain:B ((12-437)) --IVAIKGFNDVLPTQTAAWRRLEQHLASLMDAYGYQQIRLPIVEQTGLFKRAIGDATDIVEKEMYTFFDKGNPPESLTLRPEGTAGCVRALVEHNL---LRGATPRVWYMGPMFRYEKPQKGRYRQFHQFGVETFGVATPDIDAELIMLTARLWKRMGVDHMVQLELNTLGETDERTEYRNALVAFLNE-----------------------------KILENAPKLHDFLKEDSLSHFQQLQDYLTAAGIKFVINQKLVRGLDYYNKTVFEWTTTAL--GSQGTVCAGGRYDGLVGQLKGKADQSVPAVGFAMGMERLLLLLEQVEQAEI-VRDCEAFLVAE-PAYQSKALVLAEQLRDQLEAANSNIRIKTG-SQGSMKSQMKKADQAGAVYAIILGEREWEAQQLAVKELATAEQSQVALAELVPFLIEKFT------

General information: TITO was launched using: RESULT: Template: 5E3I.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 : 1789 -9125 -5.10 -23.70 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -5.10 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_5E3I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5E3I-query.scw PDB file : Tito_Scwrl_5E3I.pdb: