Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVLLKKGFAILAASFLAIGLAACSSSKNPASSDGKKVLTVSVE-ETYKEYIESIKTKFEKENDVTVKIVEKQMFEQLEALPLDGPAGNAPDVMLAAYDRIGGLGQQGHLLDIKPSN--TKSFGDKEMQQVTVDGKVYGMPLVIETLILYYNKDLLKTAPKTFKDLE----KLTEDPRFAFASEKGKSTGFLAKWTDFYMSYGLLAGYGGYVFGKNGT--DSGDIGLNNKGAVEAVKYAEKWFET-YWPKGMQDNSSADDFIQQMFLEGKAAAIIGGPWSAANYKEA-KLNYGAAPIPTLPNGEEYAPFAGGKGWVASKYTKEPELAEKWLEYAANDANAYAFYEDTNEVPANTAARKKADEQKNELTSAVIKQYETATPTPNIPEMAEVWTGAESLIFDAASGKKSTQTSANDAVNVIKENIKEKYVK 4HW8 Chain:A ((37-408)) -------------------------------KDKPNQLTMWVDGDKQMAFYKKITDQYTKKTGIKVKLVNIGQNDQLENISLDAPAGKGPDIFFLAHDNTGSAYLQGLAAEIKLSKDELKGFNKQALKAMNYDNKQLALPAIVETTALFYNKKLVKNAPQTLEEVEANAAKLTD--------SKKKQYGMLFDAKNFYFNYPFLFGNDDYIFKKNGSEYDIHQLGLNSKHVVKNAERLQKWYDKGYLPK-----AATHDVMIGLFKEGKVGQFVTGPWNINEYQETFGKDLGVTTLPT-DGGKPMKPFLGVRGWYLSEYSKHKYWAKDLMLYITSKDTLQKYTDEMSEITGRVDVK-----SSNPNLKVFEKQARHAEPMPNIPEMRQVWEPMGNASIFISNGKNPKQ-ALDEATNDITQNIK-----

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 : 1962 122337 62.35 338.88 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : 62.35 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.441

(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: