Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVSTPCKLRGDDFMAKISKYKKKNGQVAWMYKGHIATDPRTGEKINTTRRGFSSKQEAQKDYDEYRHQILYGVKKKAPDMTFEDLYNEWITHQR-TSVKASTIAISVRYANNQILPAFGKLKLSNISVPYCQKVVDEWHSKY---ESYDYMRKQTAQILRYGVAMQYIDNNPMEKTLLPRKKEYEKNRKFYSKEELNNLLDAFKDFGNMKQYAFFRLLAYTGMRKSEVLALQWKDIDTFNKELHVNKTLAVDEFGKVIIQSPKTRASRRVISLDTETLSILNNWKLQQKEEYLKLGYNTSSKEQHVFTTVK---NTLYIPNTVNDWLRYILKKYNLPRITPHGFRHTHASLLLEAGESVKVVQQRLGHENSKVTLDIYAHITNNAPKKTGQDFADMMAHQ 4A8E Chain:A ((9-277)) ---------------------------------------------------------------------------------RDDTIEEFATYLELEGKSRNTVRMYTYYISKFFE-E-----GHSPTARDALRFLAKLKRKGYSTRSLNLVIQALKAYFKFEGLD-----SEAEKLKTPKM--PKTLPKSLTEEEVRRIINAAET---LRDRLILLLLYGAGLRVSELCNLRVEDVNFEYGVIVVR--------------GGKG-GKDRVVPISESLLSEIKRYLESRN-----------DDSPYLFVEMKRKRKDKLSPKTVWRLVKKYGRK-AGVELTPHQLRHSFATHMLERGIDIRIIQELLGH-----T-QIYTKVSTKHLKEAVKKAK------

General information: TITO was launched using: RESULT: Template: 4A8E.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 : 987 22502 22.80 87.56 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 22.80 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.379

(partial model without unconserved sides chains): PDB file : Tito_4A8E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4A8E-query.scw PDB file : Tito_Scwrl_4A8E.pdb: