Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVSTPCKLRGDDFMAKISKYKKKNGQVAWMYKGHIATDPRTGEKINTTRRGFSSKQEAQKDYDEYRHQILYGVKKKAPDMTFEDLYNEWITHQRTSVKASTIAISVRYANNQILPAFGKLKLSNISVPYCQKVVDEWHSKYESYDYMRKQTAQILRYGVAMQYIDNNPMEKTLLPRKKEYEKNRKFYSKEELNNLLDAFKDF-----------GNMKQYAFFRLLAYTGMRKSEVLALQWKDIDTFNKELHVNKTLAVDE---FGKVIIQSPKTRASRRVISLDTETLSILNNWKLQQKEEYLKLGYNTSSKEQHVFTTVKNTLYIPNTVNDWLRYILKKYNLP--RITPHGFRHTHASLLLEAGESVKVVQQRLGHENSKVTLDIYAHITNNAPKKTGQDFADMMAHQ 3NKH Chain:B ((20-242)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FQSNAYLELNEIESIIKDINTKAQKMHSGIHKRFYLFVALMTEFQALNGMRIGEMLAIQNEDIDFDNKSLNINGTIHWFHDESGGFGVKDTTKTESSYRTIGLSSRSCEILKKAILENKKD-SK-WNDGYLNRNFVFTNHKGNPMQTERFNKILREAAKD-VGIDKEVSSHILRHSHISLLSQQGVSLKAIMDRVGHSDHRTTLSIYSHVTEQMDKDMMNKLEQVK---

General information: TITO was launched using: RESULT: Template: 3NKH.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 : 975 39967 40.99 193.08 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : 40.99 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.500

(partial model without unconserved sides chains): PDB file : Tito_3NKH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NKH-query.scw PDB file : Tito_Scwrl_3NKH.pdb: