Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MRYKAMKK------QRLMIA-LLATLGMGSAFASTSSEY---------NIANGLLPVEKDQ-----------SISVLQPFQGNFRILGSKIYHNDEQAKFS--------PID------YAVSWGLFAQPEIARHISVKQYDRYLNWKIAKLPV-PAEQAMQMVSNMHIIPANPEIAQQIKQVKRGDLVYLKGDLVEIKDKDLVWKSSLTPTDIGNGACEL--FRVQSIHWVEKQNI 4OBX Chain:A ((23-257)) SVANRYDLMNDVMSLGIHRLWKDHFINKLDAGKRPNSTTPLNFIDVAGGSGDIAFGLLDHAESKFGDTESTMDIVDINPDMLKEGEKRAMEQGKYFKDPRVRFLVSNGEKLEEIDSDSKDIYTVSFGIRNFTDIQKGLNTAYRVLKPGGIFYCLEFSKIENPLMDFAYQQWAKVLPVMGSMIAN-DYDSYQYLVESIERFPD-QETFKSMIEKAGFKSAGYESLTFGICAIHWGIKV--

General information: TITO was launched using: RESULT: Template: 4OBX.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 : 825 40147 48.66 213.55 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 48.66 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.126

(partial model without unconserved sides chains): PDB file : Tito_4OBX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OBX-query.scw PDB file : Tito_Scwrl_4OBX.pdb: