Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEVPVVDIKITDLKKLYQKGYNMLEELRHEADAP-VVKAKIFNKEAITIYGSSAAKVFYDPRNFKRKGAMPKLVLKTLFGQGGVQTLDGAAHHHRKNIFMDLMTPERMEDYHRILDKNLTQALEAQ--HGQFELFDLSKMVFFTSICEWAGINLSAISKDEVEKLAEYQISMISGTFTS-PIDHIKGVENRKKSEKWAQGLIEEARQNPVAGKENVALYAFANATD-LDGQLLPLEVAAVELLNIIRPTVALTVWAALMGHALFSRPDLYQQLKNDFSTLQDPFIQEMRRYYPFFPMLPAISLKEVEVDGYRIPEGSWVILDLYGTDHDERTVEAPDSFMIKRYVGKAKDISYKEEYEMIAQGGGNFRQM----HRCAGEWITLHSLRVFSDQLVNKFEFSVPEQDWTIPFNQFPTYPNSRALLYKN 3AWM Chain:A ((9-409)) ---------GPDETLSLLADPYRFISRQCQRLG-ANAFESRFLLKKTNCLKGAKAAEIFYDTTRFEREGAMPVAIQKTLLGQGGVQGLDGETHRHRKQMFMGLMTPERVRALAQLFEAEWRRAVPGWTRKGEIVFYDELHEPLTRAVCAWAGVPLPDDEAG---NRAGELRALFDAAGSASPRHLW-SRLARRRVDAWAKRIIEGIRAGSI-GSGSGTAAYAIAWHRDRHDDLLSPHVAAVELVNVLRPTVAIAVYITFVAHALQTCSGIRAALVQ-QPDYAELFVQEVRRFYPFFPAVVARASQDFEWEGMAFPEGRQVVLDLYGSNHDAATWADPQEFRPERFRAWDE-----DSFNFIPQGGG----DHYLGHRCPGEWIVLAIMKVAAHLLVNAMRYDVPDQDLSIDFARLPALPKSGFVMR--

General information: TITO was launched using: RESULT: Template: 3AWM.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 : 1977 -42968 -21.73 -109.61 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -21.73 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.531

(partial model without unconserved sides chains): PDB file : Tito_3AWM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AWM-query.scw PDB file : Tito_Scwrl_3AWM.pdb: