Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEISKQTSDLLLSLEKKKGTLPKFSVLRSIPRNRIIYG--APGTGKSNYLE-REVGKIFGDN---PYVFTRVTFFPGYTYGQFIGAYKPVPIYKKLSG-EEEIFSSNF-RDKMENFEPMIDYQF-VPGPFIDVLIKALKNRYTNFIL-I-IEEINRANAA-SVFGDIFQLLDRNKNGESDYPVTF--GPDIMNYLARNGIKDEMIKLPSNFFIWATMNNADQGVLPLDTAFKRRWSFEYLELEKYRKAVDSWKLSLRYKGHNKVIMWNDFRDIINKRLKGKVPEDKLLGPFFLKESELWNQNVFKNKLLYYLKEDVFKHNPTIDFLNASTFSELIEKYDGSDNIFTFDIDDSSFVSD 3B85 Chain:A ((4-208)) --------------VIRPKTLGQKHYVDAIDTNTIVFGLGPAGSGKT-YLAMAKAVQALQSKQVSRIILTRPAVEAGEKLGFLPGDPYLRPLHDALRDMVEPEVIPKLMEAGIVEVAPL---AYMRGRTLNDAFVILDEAQNTTPAQMKMFLTRLGFGSKMVVTGDGLRLVRHILRGVDDVHFSELTSSDVVRHQLVGHIVDAYE--------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3B85.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 : 693 -45811 -66.11 -264.80 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -66.11 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.149

(partial model without unconserved sides chains): PDB file : Tito_3B85.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B85-query.scw PDB file : Tito_Scwrl_3B85.pdb: