Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDTHIPLPERLRPRDLSEIIGQDHLLGEHAPLRQMIDQGHLPSIIFWGPPGVGKTTIALLLAQAIDRPFVSLSAL------NTGVKELREVI---AESGDLLT---PVVFIDEIHRFNKSQQDALLGAVEKGKITLIGATTENPSFEVNSALLSRCQVYTLNSLDSEAIQTLLNNALQNDKFLKERYIHIEEYDALLQFAAGDARKALNLLDLIASTFEPEVENTITNAVVVKVAQQNIARYDKSGEQHYDLVSAFIKSIRGSDPDAALYWMARMLKGGEDPVFIARRMLIAASEDIGNSNPNALLLAGECFRSVQAVGMPEARIILGQTAVYLATSAKSNSTYLAINKALELAEKTANLPVPLHLRNAPTKLMKQQGYGINYLYPHDYPEHFVLQDYLPPELKGTKLYESARNKREVEGERLQQRRWQQEQ 1SXJ Chain:C ((12-266)) ----NLPWVEKYRPETLDEVYGQNEVI---TTVRKFVDEGKLPHLLFYGPPGTGKTSTIVALAREIYGKNYSNMVLELNASDDRGIDVVRNQIKDFASTRQIFSKGFKLIILDEADAMTNAAQNALRRVIERYTKNTRFCVLANYAHKLTPALLSQCTRFRFQPLPQEAIERRIANVLVHEKL----KLSPNAEKALIELSNGDMRRVLNVLQSCKATLDNPDEDEISDDVI----------YECCGAPRPSDLKAVLKSILEDDWGTAHYTLNKV-------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1SXJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1068 -33677 -31.53 -138.59 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain C : 0.68 3D Compatibility (PKB) : -31.53 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.523

(partial model without unconserved sides chains): PDB file : Tito_1SXJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SXJ-query.scw PDB file : Tito_Scwrl_1SXJ.pdb: