Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------MPIDTQLTTLF-------------------CLIDDFCTDIT---------------QNVEQYMLTYGQTKRL-RQSKIHASEVITLLLWFHLT-GSRNFKAFYLY-----WAKPFLCSYFTNLPSYSRFIELKAKYAMYFVALIESLKVHSA---GIAFIDSTKLAVCHNKRIHQHRVFADSASRGKTSVDWFYGFKIHLICDHIGRLVSYCITTGNVDDRK---------------VLPDLIEHSKLKGKLFGDRGYVGKNWKSRLAEVGVQLITRVKRNMKPQVLAP-----FDHAVLKKRGIIEAPFKLMKSQFDLEHSRHRSKMGL-LTTIFAALTLYALVLVNGYKSGIQQILKPIDLNSA 4USR Chain:A ((1-357)) GPAMPPILDVIVIGGGQAALTTAYFLRRTSLSYLLLDEQPGPGGAWLHAWDSLRLFSPAAWSSIAGWPMPSPTEPGNPTRNDVIDYLRRYEDRYQFPIQRPVRVDTVTRLDDLWRVQAGDQQWLARAVISATGTWSKPFI-------PPYEG------------RELFQGAQIHSAHYRTPAPFAGKRVMVVGGGN-SGAQVLAELSSV--SETLWITQEPPAFLPDEVDGRVLFERATARWKAQQEGRSIDEPAGGFGDIVMVPPVREARERGVLVAERPF------ARFTETGVEWADGRRENLDAVIWCSGFRPALDHL--RELGVVEADGKVQVEDTRVVKQPNLWLVGYGDWTGMASATLIGVTRT--ARSTADQVVQALTATP-

General information: TITO was launched using: RESULT: Template: 4USR.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 : 1167 -17927 -15.36 -66.89 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -15.36 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.185

(partial model without unconserved sides chains): PDB file : Tito_4USR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4USR-query.scw PDB file : Tito_Scwrl_4USR.pdb: