Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MSHVRVQIMNQFHRKSHEYKAIKR----YWKLIQQ-------DSRKLSDKRFYRPTFRMHLTNKEILN---------KLLSYSEDLKHHYQLYQLLLFHFQNK-----EPEKFFGFIEDNLKQVHPLFQTVFKTFL----KNKEKIVNALQLPYSNAKLEATNNLIKLIKRNAFGFRNFENFKKRIFIALNIKKER----TKFVLSRA----------------------------------------- 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 : 288 13693 47.54 78.24 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain C : 0.62 3D Compatibility (PKB) : 47.54 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.114

(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: