Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVLLKKGFAILAASFLAIGLAACSSSKNPASSDGKKVLTVSVEE-TYKEYIESIKTKFEKENDVTVKIVEKQMFEQLEALPLDGPAGNAPDVMLAAYDRIGGLGQQGHLLDIKPS-N-TKSFGDKEMQQVTVDGKVYGMPLVIETLILYYNKDLLKTAPKTFKDLEKLTEDPRFAFASEKGKSTGFLAKWTDFYMSYGLLAGYGGYVFGKNGT--DSGDIGLNNKGAVEAVKYAEKWFE-TYWPKGMQDNSSADDFIQQMFLEGKAAAIIGGPWSAANYKEA-KLNYGAAPIPTLPNGEEYAPFAGGKGWVASKYTKEPELAEKWLEYAANDANAYAFYEDTNEVPANTAARKKADEQKNELTSAVIKQYETATPTPNIPEMAEVWTGAESLIFDAASGKKSTQTSANDAVNVIKENIKEKYVK 4HW8 Chain:A ((37-411)) -------------------------------KDKPNQLTMWVDGDKQMAFYKKITDQYTKKTGIKVKLVNIGQNDQLENISLDAPAGKGPDIFFLAHDNTGSAYLQGLAAEIKLSKDELKGFNKQALKAMNYDNKQLALPAIVETTALFYNKKLVKNAPQTLEEVEANAAKLTDSK---KKQ-YGMLFDAKNFYFNYPFLFGNDDYIFKKNGSEYDIHQLGLNSKHVVKNAERLQKWYDKGYLPKAAT-----HDVMIGLFKEGKVGQFVTGPWNINEYQETFGKDLGVTTLPTDGGK-PMKPFLGVRGWYLSEYSKHKYWAKDLMLYITSKDTLQKYTDEMSEITGRVDVKSS-----NPNLKVFEKQARHAEPMPNIPEMRQVWEPMGNASI-FISNGKNPKQALDEATNDITQNIKILH--

General information: TITO was launched using: RESULT: Template: 4HW8.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 : 2023 118447 58.55 321.87 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 58.55 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.437

(partial model without unconserved sides chains): PDB file : Tito_4HW8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HW8-query.scw PDB file : Tito_Scwrl_4HW8.pdb: