Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKRKLGTSDLDISEVGLGCMSLG---TEKNKALSILDEAIELGINYLDTADLYDRGRNEEIVGDAIQNRRHDIILATKAGNRWDDGSEGWYWDPSKAYIKEAVKKSLTRLKTDYIDLYQLHG-GTIEDNIDETIEAFEELKQEGVIRYYGISSIRP---NVIKEYVKKSNIVSIMMQFSLFDRRPE-EWLPLLEEHQISVVARGPVAKGLLTEKPLDQASESMKQNGYLSYSFEELTNARKAMEEVAPDLSMTEKSLQYLLAQPAVASVITGASKIEQLRENIQAANARRLTEEEIKALQSHTKQDIYKAHRS 4WGH Chain:A ((36-277)) ------------VPAIGLGTWYMGEHAAQRQQEVAALRAGIDHGLTVIDTAEMYADGGAEEVVGQAIRGLRDRVVLVSKV----------YPWHAGKAAMHRACENSLRRLQTDYLDMYLLHWRGDIP--LQETVEAMEKLVAEGKIRRWGVSNLDTEDMQALWRTADGEHCATNQVLYHLASRGIEYDLLPWCQQHSLPVMAYCPLAQAGRLRDGLFQHSDIINM-----------ANAR--------GITVAQLLLAWVIRHPGVLAIPKAAS-IEHVVQNAAA----------------------------

General information: TITO was launched using: RESULT: Template: 4WGH.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 : 1220 -9688 -7.94 -41.40 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -7.94 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.482

(partial model without unconserved sides chains): PDB file : Tito_4WGH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WGH-query.scw PDB file : Tito_Scwrl_4WGH.pdb: