Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDLIQENGQPRYGRFESVPSTIHVQRYIYKTPYGKVLKGWRKQLKYKKFKFCGIQHKHYSIGLAIADIGWVGHGFFYIHDHETGQVIEWNAIQPLGHKTYLDEQPLFNQSYFSKSPYQFDIQHANGVRYIRVTK----YGEICLSARIFCAGTDILSLCTPTGINGWTYTQKQTTLAVEGMFINKQNQVVQFDEKTFASLDDTCGFLRPETAWFWLSCNFWDEQGRRIGLNLASGVNESFGNENCLWINGVLFPLTDVLFEKVNDELWQISSLDQKLNLQVHIGWCRYENINLRMIGSQFNQWQAKISGTIEHETTDIINCKEQYGLLEQHYAKW 3EI5 Chain:A ((146-246)) ------------------------------------------------------------------------------------------AVQDPSYPAYVDSSVIMGQT----GQFNTDVQKYGNIEYMRCTPENGFFPDLSTVGR-----TDIIFFCSPNNPTGAAATREQLTQLVE--FAKKNGSIIVYDSAYAMYMSD-------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3EI5.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 : 379 -11476 -30.28 -118.31 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -30.28 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.276

(partial model without unconserved sides chains): PDB file : Tito_3EI5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3EI5-query.scw PDB file : Tito_Scwrl_3EI5.pdb: