Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------MITQLYRERTAAD-----LKNRISKVLLNG---NETEIVELTIQGAVVTVLTQREEDIKHIKSVQILDDQNNVITERTTDLDVSNNRTLDFRITFEVV----------------------------------------------------------- 4K6L Chain:G ((1-224)) VDFVYRVDSTPPDVIFRDGFSLLGYNRNFQQFISGRSCSGGSSDSRYIATTSSVNQTYAIARAYYSRSTFKGNLYRYQIRADNNFYSLLPSITYLETQGGHFNAYEKTMMRLQREYVSTLSILPENIQKAVALVY-DSATGLVKDGVSTMN-ASYLGLSTTSNPGVIPFLPEPQTYTQQRIDAFGPLISSCFSIGSVCHSHRGQRADVYNMSFYDARPVIELILSK

General information: TITO was launched using: RESULT: Template: 4K6L.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 250 4133 16.53 46.97 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain G : 0.55 3D Compatibility (PKB) : 16.53 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.229

(partial model without unconserved sides chains): PDB file : Tito_4K6L.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4K6L-query.scw PDB file : Tito_Scwrl_4K6L.pdb: