Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNGNEPHGGVLINRCDPACHFEGCACQAELDQLALSDLELIAIGGYSPLTGFLGEKDYHSVVKEMRLANGLPWSLPITLPVGEKTARQLSAGDHVKLVK-DGVTYGMITVTDIYQPDKTQEALSVFKTNDPAHPGVKKLLARPDYYIGGPITVSSLPDK-SFEQFYATPAETRAAFQKLGWKTIVGFQTRNPVHRAHEYIQKTALETVDG-LLLHPLVGETKSDDIPSDIRMESYQALLNHYYPKDRVMLSVFPAAMRYAGPREAIFHALVRKNYGCTHFIVGRDHAGVGS------YYGTYDAQNIFQSFTEEELGIKPLFFEHSFYCRKCGNMGTSKTCPHSPRDHIHLSGTKVRE-LLRQGKKPPKEFSRPEVAAVLIKGLHQQPVAIKQNSGELQ 2GKS Chain:B ((11-361)) ----------------------------QISQRSVLDLELLAVGAFTPLDRFMGEEDYRNVVESMRLKSGTLFPIPITLPMEKEIAKDLKEGEWIVLRDPKNVPLAIMRVEEVYKWNLEYEAKNVLGTTDPRHPLVAEMHTWGEYYISGELKVIQLPKYYDFPEYRKTPKQVREEIKSLGLDKIVAFQTRNPMHRVHEELTKRAMEKVGGGLLLHPVVGLTKPGDVDVYTRMRIYKVLYEKYYDKKKTILAFLPLAMRMAGPREALWHGIIRRNYGATHFIVGRDHASPGKDSKGKPFYDPYEAQELFKKY-EDEIGIKMVPFEELVYVPELDQYVEIN---------------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 : 1725 -184933 -107.21 -567.28 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -107.21 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.585

(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: