Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKQYRVLLYYKYVPIEDPEAFREQHLAFCKELGLLGRILVSSEGINGTVSGTVEQTEKYMETMKADPRFADMVFKIDEAEGHAFKKIFVRHKKELVTLRLEDDVDPNETTGQHLKPAEFYEKMQDPNTIVIDARNDYEYDLGHFRGAVRPDIEAFRELPEWIEEHKDMLE-GKKILTYCTGGVRCEKFSGWLVKQGFEDVAQLDGGIVTYGKDPEVQGKLWDGQCYVFDERISVPVNRVEHVIVGKDYFTGEPCERYVNCANPSCNKKMICTPENEYKYMRSCSHECRTNPRNLYVKEHNMTEEEVNARLAAIETEDHAAAE 2KL3 Chain:A ((18-97)) -----------------------------------------------------------------------------------------------------------------------------EPAFTILDVRDRSTYNDGHIMGAMAMPIE------DLVDRASSSLEKSRDIYVYGAGDEQTSQAVNLLRSAGFEHVSELKGGLAAW----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2KL3.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 : 365 -51363 -140.72 -650.16 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -140.72 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_2KL3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KL3-query.scw PDB file : Tito_Scwrl_2KL3.pdb: