Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGNMPKDFLWGGALAAHQFEGGWNQGGKGPSVVDVMTAGAHGVPRKITDTIEENEFYPNHEAIDFYHRYKEDIALFAEMGLKCLRTSIGWSRIFPKGDEAEPNEAGLQFYDDVFDELLKHGIEPVITLSHFEMPLHLAREYGGFRNRKVVDFFVNFAEACFTRYKDKVKYWMTFNEINNQMDVNNPLFLWTNSGVVVGENENAKEVMYQTAHHELVASALAVAKGKDINPEFQIGAMVSHVPIYPFS-SNPEDVMLAE-EEMRQRYFFPDVQVRGYYPSYALKEFEREGYN-ITFEDGDDEILRNGTV----------DYLGFSYYMSTTVK-----SDVKNDNTGDIVNG-----GLPNGVENPYITSSDWGWAIDPTGLRYTLNRFYDRYQ--IPLFIVENGFGAVDTLEEDGKVHDPERIQYLKSHIEALKKAVTYDGVDLIGYTPWGIIDIVSFTTGEMKKRYGMIYVDRDNEGNGSMKRYKKDSFEWYKNVIQTNGEEL 4PBG Chain:B ((4-465)) --TLPKDFIFGGATAAYQAEGATHTDGKGPVAWD--------------KYLEDNYWYTAEPASDFYHKYPVDLELAEEYGVNGIRISIAWSRIFPTG-YGEVNEKGVEFYHKLFAECHKRHVEPFVTLHHFDTPEALHSN-GDFLNRENIEHFIDYAAFCFEEFPE-VNYWTTFNEIGPIGD-GQYLVGKFPPGI---KYDLAK--VFQSHHNMMVSHARAVKLYKDKGYKGEIGVVHALPTKYPYDPENPADVRAAELEDIIHNKFILDATYLGHYSDKTM-----EGVNHILAENGGELDLRDEDFQALDAAKDLNDFLGINYYMSDWMQAFDGETEIIHNGKGEKGSSKYQIKGVGRRVAPDYVPRTDWDWIIYPEGLYDQIMRVKNDYPNYKKIYITCNGLGYKDEF-VDNTVYDDGRIDYVKQHLEVLSDAIA-DGANVKGYFIWSLMDVFSWSNG-YEKRYGLFYVDFDTQ-----ERYPKKSAHWYKKLAETQ----

General information: TITO was launched using: RESULT: Template: 4PBG.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 : 2544 -20385 -8.01 -46.65 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -8.01 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_4PBG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PBG-query.scw PDB file : Tito_Scwrl_4PBG.pdb: