Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDERLVSSEADNHESVIEQSLRPQNLAQYIGQHKVKENLRVFIDAAKMRQETLDHVLLYGPPGLGKTTLASIVANEMGVELRTTSGPAIERPGDL--AAILTALEPGDVLFIDEIHRLHRSIEEVLYPAMEDFCLDIVIGKGPSARSVRLDLPPFTLVGATTRVGLLTAPLRDRFGVMSRLEYYTQEELADIVTRTADVFEVEIDKPSALEIARRSRGTPRVANRLLRRVRDFAQVLGDSRITEDISQNALERLQVDRLGLDH-IDHKLLMGMIEKFNGGPVGLDTISATIGEESHTIEDVYEPYLLQIGFIQRTPRGRIVTPAVYHHFQMEAPRYD 5C3C Chain:B ((26-281)) ------------------------KEPYY---RAVQDEIELYRAGYEARIP----MMLKGPTGCGKSRFVEHMAWKLNRPLITIACNEDMTASDLVDGPLTVAARIGAICYLDEIVEARQDTIVVIHPLT-DHRRVLPLEKKGELVEAH---PDFQIVISYND---LKQSTKQRFGALD-FDYPKPDIEAEIVSHEAGVDKDTAEK--LVQIAQKARN-------------------------------------LKGHGLDEGLSTRLLVYAGKLIAKGVDARAACTMTL------------------------VNPITDDVDMRDALDTVVKTFF

General information: TITO was launched using: RESULT: Template: 5C3C.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1112 -8097 -7.28 -34.90 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -7.28 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.437

(partial model without unconserved sides chains): PDB file : Tito_5C3C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5C3C-query.scw PDB file : Tito_Scwrl_5C3C.pdb: