Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEYGWERTFPFLEIDNIIVNELFGEILEDKYITNISRINEGCRTTNYLIETNETDKKYILK----IFFSSEQNYIREIKLLNQLKENHIKN----IPTVCKVSTHGSIENKEYAIYEYVEGKSIGKAISDGYVFDE--SLIIDVAKFLAQLHSYKFKKAGFLNENLEIKEELPPLISWYEMFMGDKAKQRLGKKIVNQ--INEIVNQNQKILAELDN------DIRLVHGDFQGTNILI--RDNKLCGVIDWEFVMAGHPLADIGQFFRYEEYFNKDLIQVFKEEYNENSSYKLEDNWYKISKLRDSANLIQLINGYEDMPNKYSNIKKILINNINRLLD 4WH1 Chain:A ((21-247)) -------------------------------VTGIEPYGDGHINTTYLVTTD--GPRYILQQMNTSIFPDTVNLMRNVELVTSTLKAQGKETLDIVPTTSG-ATWAEIDGGAWRVYKFIEHTVSYNLVPNPDVFREAGSAFGDFQNFLSEFDASQ------LTETIAHFHDTP---HRFEDFKAALAADKLGRAAACQPEIDFYLSHADQYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRF----------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WH1.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 : 681 1644 2.41 7.94 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 2.41 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.241

(partial model without unconserved sides chains): PDB file : Tito_4WH1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4wh1-query.scw PDB file : Tito_Scwrl_4WH1.pdb: