Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLAPHGGTLVNRVDESYDVSGIQKEIELDLISFADLELIGIGAYSPIEGFFNEKDYVSVVENMRLSSGVVWSLPITLPVDAQKAAELSLGETVKLTYEGET-YGVIQIEDLYVPDKQKEAVNVYKTDEQEHPGVKKLFSRGNTYVGGPITLIKKASK-QFPEFTFEPSETRRQFAEKGWETIVGFQTRNPVHRAHEYIQKTALETVDG-LFLNPLVGETKSDDIPADVRMESYQVLLDHYYPKDRVFLGVFLAAMRYAGPREAIFHALVRKNYGCTHFIVGRDHAGVGD------YYGTYEAQELFDTFKPEELGITPLKFEHSFFCKKCGNMGTAKTCPHGREHHVILSGTKVR-GMLRDGVLPPAEFSRKEVVEVLIKGMKKKEEVGVS 2GKS Chain:B ((8-361)) ------------------------KSIQISQRSVLDLELLAVGAFTPLDRFMGEEDYRNVVESMRLKSGTLFPIPITLPMEKEIAKDLKEGEWIVLRDPKNVPLAIMRVEEVYKWNLEYEAKNVLGTTDPRHPLVAEMHTWGEYYISGELKVIQLPKYYDFPEYRKTPKQVREEIKSLGLDKIVAFQTRNPMHRVHEELTKRAMEKVGGGLLLHPVVGLTKPGDVDVYTRMRIYKVLYEKYYDKKKTILAFLPLAMRMAGPREALWHGIIRRNYGATHFIVGRDHASPGKDSKGKPFYDPYEAQELFKKYE-DEIGIKMVPFEELVYVPELDQYVEIN---------------EIRENFLKQGRKLPEWFTRPEVAEIL-------------

General information: TITO was launched using: RESULT: Template: 2GKS.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 : 1755 -186314 -106.16 -566.30 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -106.16 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.498

(partial model without unconserved sides chains): PDB file : Tito_2GKS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GKS-query.scw PDB file : Tito_Scwrl_2GKS.pdb: