Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----EPNPVVYDAPGSSVQECFWFMFYNGQRVDAGACHSDWSFGLQVGKRFV----------QIKTDKKCNLHGTYAPGWIVLGRER 2KSS Chain:A ((21-106)) MIQDPSLIICHDVDGAPVRIGAKVKVVPHSEDGTISQRFLGQTGIVVGLVFDDPATQYPDDPLIQVLVEGLGEDLFFPEELELAPE-

General information: TITO was launched using: RESULT: Template: 2KSS.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 : 188 -1336 -7.11 -18.56 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -7.11 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.118

(partial model without unconserved sides chains): PDB file : Tito_2KSS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2kss-query.scw PDB file : Tito_Scwrl_2KSS.pdb: