Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIVKNELLYEGKAKKIYKTDDENTLYVVYKDSATAFNGEKKAEISGKGRLNNEISSLIFKHLHAKGINNHFIERISETEQLIKKVTIVPLEVVVRNVVAGSMSKRLGIPEGTELEQPIIEFYYKDDALGDPLITEDHIWLLKAATPEQVETIKSITTIVNEELQSIFDDCHVRLIDFKLEFGLDAE---GQVLLADEISPDTCRLWDKETNEKLDKDLFRRNLGSLTDAYEEIFNRLGGIHHV 3KRE Chain:A ((26-262)) ------EKIYEGKAKIIFATLNPLEVIQHFKDEITAFNNKKAAIIHEKGILNNYISSFLMKKLIDKGIKTHFISLLNQREQLVKKITIIPIEVVIRNLAAGNFSKRFQIADGTPFKSPIIEFYYKNDELSDPMVSEGHILSFQWLTNQELEKIKILSLKINNILSELFFNVGIKLVDFKLEFGKLHNDEQSDLFLADEISPDTCRLWDISTNKRLDKDRYRLNLGNVIEGYREVAHKLNAIPN-

General information: TITO was launched using: RESULT: Template: 3KRE.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 : 1188 -86623 -72.91 -370.18 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -72.91 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.470

(partial model without unconserved sides chains): PDB file : Tito_3KRE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KRE-query.scw PDB file : Tito_Scwrl_3KRE.pdb: