Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRMSTIFLKIALVLIGIPILALCIFLVPKVANYSAELFPNIAYIKYLVFIYLYVTAIPFYFALYQAFKLLSYIDKNKAFSGLSVRALKNIKYCAVTISIFYAAGMPVFYLMAEIDDAPGIIVIGLVIIFASMVIAVFAAVLQKLLKEAIDIKSENDLTV 3KXY Chain:A ((1-133)) MDLTSKVNRLLAEFAGRIGLPSL----SLDEEGMASLLFDE------QVGVTLLLLAERERLLLEADVVGIDVLGEGIFRQLASFNRHWHRFDLHFGF-----------------DELTGKVQLYAQILAAQLTLECFEATLANLLDHAEFWQRLLPCAS

General information: TITO was launched using: RESULT: Template: 3KXY.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 : 506 -118007 -233.21 -887.27 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -233.21 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.146

(partial model without unconserved sides chains): PDB file : Tito_3KXY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KXY-query.scw PDB file : Tito_Scwrl_3KXY.pdb: