Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPSITKQIMSGAKWTSISTMCITIIQIVQFALLGNMMTLTEFGLVGMITTVTVFAQIVLDMGFGAALIQR----D-DATERQ----LSTLYWLNIMTGVLLFVLLYVSSPVIAGFYQ-REE----LVFLVRILAIMFLIAPIGQQYQYMLQKQLHFNTLSKIEIFSNVLSFGYLAIAVF-----MMDAILAYVISQVLLQSSKGILYWAVY-RK-KW---HP---AFVFDLRGMKDFFSFGAFQLSSRLVNRLGANIDMILIGRFIGAEALGIYNLAYQIVTIPVLKINPIVTRVAFPIFAKNKY--ENSVIREGFLNMTKMLALVSFPLLIGLVSVSDAFITAVFGEK---WLAAVPILNVLAIVGILRVLMNPNGSVLLAKGRADLAFYWDSGVL-LLYGLSLFAAV-------QTGSLLTVAWVYAIISVVNFLIGRWLLAYVIKLNLSAYFQSIMKPFLITAAMGIIAFGVSLSTEHFSMQAEMRLAISVAAGALCYLFLLVKAYPQTKSKLLRKGRLS 3MKT Chain:A ((11-448)) ---EASNLIKLATPVLIASVAQTGMGFVDTIMAGG-VSAIDMAAVSIAASIWLPSI-LFGVGLLMALVPVVAQLNGAGRQHKIPFEVHQGLILALLVSVPIIAVL-FQTQFIIRFMDVEEAMATKTVGYMHAVIFAVPAYLLFQALRSFTDGMSLTKPAMVIGFIGLLLNIPLNWIFVYGKFGAPELGGVGCGVATAIVYWIMLLLLLFYIVTSKRLAHVKVFETFHKPQPKELIRLFRLGFPVAAALFFEVTLFAVVALLVAPL-GSTVVAAHQVALNFSSLVFM-FPMSIGAAVSIRVGHKLGEQDTKGAAIAANVGLMTGLATACITALLTVLFREQIALL-YTENQVVVALAMQLLLFAAIYQCMDAVQVVAAGSLRGYKDMTAIFHRTFISYWVLGLPTGYILGMTNWLTEQPLGAKGFWLGFIIGLSAAALMLGQRLYWLQ----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3MKT.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 : 2138 -269461 -126.03 -677.04 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -126.03 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.281

(partial model without unconserved sides chains): PDB file : Tito_3MKT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MKT-query.scw PDB file : Tito_Scwrl_3MKT.pdb: