Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------MNIWSILCLIWTLVAYVVAKRIYQKHPKLWLSPAISVPVLTIILMTIFGIS-----YQTYAEDTQWI--------------VNLLGPATVAFAIPIYRYRETIRKK---LGVLTIAIIVGMSVGVMTAYKMAQWFHFSPEVTNSLMARSI--STPFAMILAEDIHGSAALVSLFTV----ITGLVGMICGDAILAITKIRSNVA------------NGAALGNAAHGF-----GTVRAQQRNSEEGVIASLTMVIAGILMVLI-GPFAIHLWLLL---------------------------------------------------- 4XNV Chain:A ((38-382)) SFKCALTKTGFQFYYLPAVYILVFIIGFLGNSVAIWMFVFHMKPW--SGISVYMFNLALADFLYVLTLPALIFYYFNKTDWIFGDAMCKLQRFIFHVNLYGSILFLTCISAHRYSGVVYPKSLGRLKKKNAICISVLVWLIVVVAISPILFYSGTGVRKNKTITCYDTTSDEYLRSYFIYSMCTTVAMFCVPLVLILGCYGLIVRALIYKMKKYTCTVCGYIYNPEDGDPDNGVNPGTDFKDIVCPLCGVGKDQFEEVEEPLRRKSIYLVIIVLTVFAVSYIPFHVMKTMNLRARLDFQTPAMCAFNDRVYATYQVTRGLASLNSCVNPILYFLAGDTFRRR

General information: TITO was launched using: RESULT: Template: 4XNV.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 : 670 -76012 -113.45 -334.85 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -113.45 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.141

(partial model without unconserved sides chains): PDB file : Tito_4XNV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XNV-query.scw PDB file : Tito_Scwrl_4XNV.pdb: