Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKVYVFDHPLIQHKLTYIRNENTGTKDFRELVDEVATLMAFEITRDLPLEEVDINTPVQAAKSKVISGKKLGVVPILRAGLGMVDGILKLIPAAKVGHVGLYRDPETLKPVEYYVKLPSDVEEREFIVVDPMLATGGSAVEAIHSLKKRGAKNIR--FMCLVAAPEGVEELQKHHSDVDIYIAALDEKLNEKGYIVPGLGDAGDRMFGTK 1UPU Chain:D ((25-223)) -----------LRAMMTIIRDKETPKEEFVFYADRLIRLLIEEALNELPFQKKEVTTPLDVSYHGVSFYSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETTAEPKLIYEKLPADIRERWVMLLDPMCATAGSVCKAIEVLLRLGVKEERIIFVNILAAPQGIERVFKEYPKVRMVTAAVDICLNSRYYIVPGIGDFGDRYFGT-

General information: TITO was launched using: RESULT: Template: 1UPU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 925 -88583 -95.76 -449.66 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain D : 0.77 3D Compatibility (PKB) : -95.76 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.528

(partial model without unconserved sides chains): PDB file : Tito_1UPU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1UPU-query.scw PDB file : Tito_Scwrl_1UPU.pdb: