Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRRKTALMMLSVLMVLAIFLSACSGSKSSNSSAKKSAGKPQQGGDLVVGSIGEPTLFNSLYSTDDASTDIENMLYSFLTKTDEKLNVKLSLAESIKELDGGLAYDVKIKKGVKFHDGKE------LTADDVVFTYSVP--LSKDYKGERGSTYE---------MLKSVEKKGDYEVLFKLKYKDGNFYNN-ALDSTAILPKHILGNVPIADLEEN-EFNRKKPIGSGPFKFKEWKQGQYIKLEANDDYFEGRPYLDTVTYKVIPDANAAVAQLQAGDINFFNVP-ATDYKTAEKFNNLKIVTDLALSYVYIGWNEKNELFKDKKVRQALTTALDRESIVSQVLDGDGEVAYIPESPLSWNYPKDIDVPKFEYNEKKAKQMLAEAGWKDTNGDGILDKDGKKFSFTL----KTNQGNKVREDIAVVVQEQLKKIGIEVKTQIVEWSALVEQMNPPNWDFDAMVMGWSLSTF-PDQY--DIFHSSQIKKGLNYVWYKNAEADKLMKDAKSISDRKQYSKEYEQIYQKIAEDQPYTFLYYPNNHMAMPENLEGYKYHPKRDLYNIEKWWLAK 1DPP Chain:A ((16-495)) ------------------------------------------------------PQLFTSGTTYDASSVPLYNRLVEFKIGTTE---VIPGLAEKWEVSEDGKTYTFHLRKGVKWHDNKEFKPTRELNADDVVFSFDRQKNAQNPYHKVSGGSYEYFEGMGLPELISEVKKVDDNTVQFVLTRPEAPFLADLAMDFASILSKEYADAMMKAGTPEKLDLN---PIGTGPFQLQQYQKDSRIRYKAFDGYWGTKPQIDTLVFSITPDASVRYAKLQKNECQVMPYPNPADIARMKQDKSINLMEMPGLNVGYLSYNVQKKPLDDVKVRQALTYAVNKDAIIKAVYQGAGVSAKNLIPPTMWGY--NDDVQDYTYDPEKAKALLKEAGLE------------KGFSIDLWAMPVQRPYNPNARRMAEMIQADWAKVGVQAKIVTYEWGEYLKRAK--DGEHQTVMMGWTGDNGDPDNFFATLFSCAASEQGSNYSKWCYKPFEDLIQPARATDDHNKRVELYKQAQVVMHDQAPALIIAHSTVFEPVRKEVKGYVVDP--------------

General information: TITO was launched using: RESULT: Template: 1DPP.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 : 2356 -101944 -43.27 -225.04 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -43.27 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.460

(partial model without unconserved sides chains): PDB file : Tito_1DPP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DPP-query.scw PDB file : Tito_Scwrl_1DPP.pdb: