Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVSTPCKLRGDDFMAKISKYKKKNGQVAWMYKGHIATDPRTGEKINTTRRGFSSKQEAQKDYDEYRHQILYGVKKKAPDMTFEDLYNEWITHQRTSVKASTIAISVRYANNQILPAFGKLKLSNISVPYCQKVVDEWHSK----YESYDYMRKQTAQILRYGVAMQYIDNNPMEKTLLPRKKEYEKNRKFYSKEELNNLLDAFKDFGNMKQYAFFRLLAYTGMRKSEVLALQWKDIDTFNKELHVNKTLAVDEFGKVIIQSPKTRASRRVISLDTETLSILNNWKLQQKEEYLK--------------------LGYNTSSKEQHVFTTVK-----------NTLYIPNTVNDWLRYILKKYNLP--RITPHGFRHTHASLLLEAGESVKVVQQRLGHENSKVTLDIYAHITNNAPKKTGQDFADMMAHQ 2A3V Chain:C ((4-318)) --------------------------------------------------------------------------------QFLLSVREFMQTR--YYAKKTIEAYLHWITRYIH-FHNKKHPSLMGDKEVEEFLTYLAVQGKVATKTQSLALNSLSFLYKEILKTPLSLEIRFQ---RSQL--ERKLPVVLTRDEIRRLLEIVD----PKHQLPIKLLYGSGLRLMECMRLRVQDIDFDYGAIRIW--------------QGKG-GKNRTVTLAKELYPHLKEQIALAKRYYDRDLHQKNYGGVWLPTALKEKYPNAPYEFRWHYLFPSFQLSLDPESDVMRRHHMNETVLQKAVRRSAQE-AGIEKTVTCHTLRHSFATHLLEVGADIRTVQEQLGHTDVKTT-QIYTH---RGASGVLSPLS------

General information: TITO was launched using: RESULT: Template: 2A3V.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1070 -11130 -10.40 -40.47 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain C : 0.65 3D Compatibility (PKB) : -10.40 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.420

(partial model without unconserved sides chains): PDB file : Tito_2A3V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2A3V-query.scw PDB file : Tito_Scwrl_2A3V.pdb: