Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKQYRVLLYYKYVPIEDPEAFREQHLAFCKELGLLGRILVSSEGINGTVSGTVEQTEKYMETMKADPRFADMVFKIDEAEGHAFKKIFVRHKKELVTLRLEDDVDPNETTGQHLKPAEFYEKMQDPNTIVIDARNDYEYDLGHFRGAVRPDIEAFR----ELPEWIEEHKDMLEGKKILTYCTGGVRCEKFSGWLVKQGFEDVAQLDGGIVTYGKDPEVQGKLWDGQCYVFDERISVPVNRVEHVIVGKDYFTGEPCERYVNCANPSCNKKMICTPENEYKYMRSCSHECRTNPRNLYVKEHNMTEEEVNARLAAIETEDHAAAE 4OCG Chain:B ((486-561)) -------------------------------------------------------------------------------------------------------------------------------DQLLLDVRNPGELQNGGLEGAVNIPVDELRDRMHELP------KD----KEIIIFCQVGLRGNVAYRQLVNNGYR-ARNLIGGYRTY----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4OCG.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 : 319 -49414 -154.90 -686.30 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -154.90 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.542

(partial model without unconserved sides chains): PDB file : Tito_4OCG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OCG-query.scw PDB file : Tito_Scwrl_4OCG.pdb: