Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------MNCWKTINLMKDYGAVRIILTAVCFMILVFISTF-LAFE---------LLRPGTSLSDEYVSL-FGGLLVVILFVHKVIHVLPIICKK--RKIEKKFYILRMRT----WKRIP-------KTTMLISLVSPFL-------LITPVLFYAALAFPNHAHYF--------------CMISGIHAGYCLPDFLLA----LKLIKAPKTAFID-----QEADGLDILVEK 4WRT Chain:C ((9-258)) GMTLAKIELLKQLLRDNEAKTVLKQTTVDQYNIIRKFNTSRIEKNPSLRMKWAMCSNFPLALTKGDMANRIPLEYKGIQLKTNAEDIGTKGQMCSIAAVTWWNTYGPIGDTEGFERVYESFFLRKMRLDNATWGRITFGPVERVRKRVLLNPLTKEMPPDEASNVIMEILFPKEAGIPRESTWIHRELIKEKREKLKGTMITPIVLAYMLERELVARRRFLPVAGATSAEFIEMLHCLQGENWRQIYHPG

General information: TITO was launched using: RESULT: Template: 4WRT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 405 -52065 -128.55 -302.70 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain C : 0.68 3D Compatibility (PKB) : -128.55 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.080

(partial model without unconserved sides chains): PDB file : Tito_4WRT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WRT-query.scw PDB file : Tito_Scwrl_4WRT.pdb: