Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNNKQRWMGGVVLLGGGVLLAALLLKGNEEIKQV------DVQPQTSTSPKLQAKPKQSAQEGQMVQLQPLAV----DVETEKRLLEEQRRSREKAVAEQEARAAEFLAMQQQAEAD--AARKAAAEYAAINARRAAAQESSDNIPPEVAGSENK---AKGQQTDTKKSVDLAKADAD------KKAAEAKRLAEADKKAAEAKRQAE-----ADKKAAEAKRQ-AEADKKAAEAKRQAEADKKAAEAKRKAEAEKKAEAEKARELLENGDKKWMVQVALAANQANADAVVSKLRAKGYKVTTSPTSKGIRIMVGPAKDRDTADTTRKKITSDASLNMKSAWVIDWVPLDQRKSD 5NIL Chain:D ((32-233)) ---------------------------PVPTYQTLIVRPGDLQQSVLATGKLDALRKVDVGAQVSGQLKTLSVAIGDKVKKDQLLGVIDPEQAENQIKEVEATLMELRAQRQQAEAELKLARVTYSRQQRLAQTQAVSQQDLDNAATEMAVKQAQIGTIDAQIKRNQASLDTAKTNLDYTRIVAPMAGEVTQITTLQGQTVIAAQQAPNILTLADMSAMLVKAQVSEAD------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5NIL.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 : 390 59738 153.17 341.36 target 2D structure prediction score : 0.33 Monomeric hydrophicity matching model chain D : 0.64 3D Compatibility (PKB) : 153.17 2D Compatibility (Sec. Struct. Predict.) : 0.33 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.310

(partial model without unconserved sides chains): PDB file : Tito_5NIL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5NIL-query.scw PDB file : Tito_Scwrl_5NIL.pdb: