Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQNETRTLQLDPHLHIEAYRFKGIMQKFPNHFHDYYVIGFIEKGQRYLACQDQEYIINPGDLLLFNPRDTHSCEQIDGRTLDYRCINVMPDIMEKAVKEITGSGHLPYFSQHVLFRHELTASLQELHILISEEKQALRKEELFLHLLEELIRHYSDVTFLSSVPEPSDEVKMVCEFLEEHYAE-NVTLNDLSELTGWSKYHLLRSFTKQKGITPNSYMETIRINQAKKLLEQ-GVRPIDAAFQTGFSDQSHMTKFFKRQVGLTPKQYMKIFEKELHR 2K9S Chain:A ((3-106)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------NRVREACQYISDHLADSNFDIASVAQHVCLSPSRLSHLFRQQLGISVLSWREDQRISQAKLLLSTTRMPIATVGRNVGFDDQLYFSRVFKKCTGASPSEFRAGC------

General information: TITO was launched using: RESULT: Template: 2K9S.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 : 324 -38102 -117.60 -373.54 target 2D structure prediction score : 0.87 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -117.60 2D Compatibility (Sec. Struct. Predict.) : 0.87 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.678

(partial model without unconserved sides chains): PDB file : Tito_2K9S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2K9S-query.scw PDB file : Tito_Scwrl_2K9S.pdb: