Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------MDRLPRIPLADII---DRFVDWITMTFGGFFD--GI----ANGLAAFVNGIVTGLGFIPSI---------LLTIIFAAL---------AWWI----STRGIALFTL-----IGFLLIDYLGYWDP--MLQTLALVLTSVIISIVVGVPIGIWASQKETVRR---------------------IVTPILDLMQTMPAFV---YLLPAIFFFNIGVVPGVVAS---------VIFAMPPTIRMTVLG--IKQVPADLIEATEAFGSTTAQRLFKVQLPLATKTILAGINQ----SIMLAL---SMVVIAAMVGA---------PGLGSEVYSAVTQLKTG--VGVEAGIAIVIVAITLDRITQNIKVKKKSRGNA---------- 4XD1 Chain:A ((21-417)) MKLIIAGKNNIAVDVTKWIIKTISDIELYSVCNENDHGNDSFQLSFKKFCIQFNIPIISLEDAYHLEDAIFLSLEFDKIIHPSKFTHNRIFNIHFSYLPAYKGMYTSAWPILNNEQESGVTLHKIDHGIDTGAIIDQQKFPLDIEETAKTLYLKYIKIGTEIVIKNLPALISGNYSIVEQSAIKSSYYSKKSIDYKNLMIDLNKTAHEILQQIRAFTFRDYQLPRID--DIDIFHGEILSSKSLSKPGTILEKNNYHLILSTIDYDIKLYSDNFDEILTACEDKSPEFISKL---LKTENILFEKNHLGASPIIIAAYHGNMDVIEWLVSKGVNINDRNYKGTTVAMYFKDYMLRSGNYTGLENLINLGLDLFLKDNEGLSVFDYMRKNKNIELFNFMSTFN

General information: TITO was launched using: RESULT: Template: 4XD1.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 : 1096 -187148 -170.76 -675.62 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -170.76 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.116

(partial model without unconserved sides chains): PDB file : Tito_4XD1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XD1-query.scw PDB file : Tito_Scwrl_4XD1.pdb: