Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----MNKVNQILEEKVMPIAGRIAGQRHLQALRDGIILTMPLIIIGSFFLIIGNLPIPGYAEFMAKTFGSSWSEKLAYPVDATFEIMGLVAAFGIAYRLAEKYGVDALSAGAISLAAFLLATPYQVPFMPDGATKEIMVGGGIPLSLMGSKGLFVAMIIAMVSTEIYRLIIQRNLVFKMPDGVPPAVSKSFVALIPGFAVIFLIWAARLIVEATPFESLHNIVSVLLGTPLSILGGSLGGS-----LVAEAVKMLLWACGLHGANIVGGVMAPIWYGAMDANRIAFQAGEELPKIFTQQFFDIWVNIGGSGATLALVVTMFLRARSKQMKQLGKLAVGPAIFNINEPIIFGMPIVMNPMLLLPFIITPLVTVTLTYIGMSTGLVAKPAGIAVPWTMPPIFSGYLATGGKVSGA-VMQAINIAVSFV------VYYPFFRMWDKQKLKEENDLELVQTPAATDDKEAAL--------- 3MHS Chain:A ((5-476)) AMSICPHIQQVFQNEKSKDGVLKTCNAARYILNHSVPKEKFLNTMKCGTCHEINSG-ATFMCLQCGFCGCWNHSHFLSHSKQIGHIFGINSNNGLLFCFKCEDYIGNIDLINDAILAKYWDDVCTKTMVPSMERRDGLSG----LINMGSTCFMSSILQCLIHNPYFIRHSMSQIHSNNC-----KVRSPDKCFSCALDKIVHELYGALNTSTNRQTGFIYLLTCAWKINQNLAGYSQQDAHEFWQFIINQIHQSYVLDLPNNNKQCECIVHTVFEGSLESSIVCPGCQNN-SKTTIDPFLDLSLDIKDKK-KLYECLDSFHKKEQLKDFN----------YHCGECNSTQDAIKQLGIHKLPSVLVLQLKRFEHLLNGSNRKLDDFIEFPTYLNMKNYCSTKEKDKENGKVPDIIYELIGIVSHKGTVNEGHYIAFCKISGGQWFKFNDSMVSSISQEEVLKEQAYLLFYTIRQVN

General information: TITO was launched using: RESULT: Template: 3MHS.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 : 1879 -103125 -54.88 -239.82 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -54.88 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.136

(partial model without unconserved sides chains): PDB file : Tito_3MHS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MHS-query.scw PDB file : Tito_Scwrl_3MHS.pdb: