Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSELWYTEKQTKNFGITMKVNKTLHTEQTEFQHLEMVETEEFGNMLFLDGMVMTSEKDEFVYHEMVAHVPLFTHPNPEHVLVVGGGDGGVIREILKHPSVKKATLVDIDGKVIEYSKKFLPSIAGKLDDPRVDVQVDDGFMHIAKSENQYDVIMVDSTEPVGPAVNLFTKGFYAGIAKALKEDGIFVAQTDNPWFTPELITNVQRDVKEIFPITKLYTANIPTYPSGLWTFTIGSKKYDPLA-----VEDSRFFDIETKYYTKDIHKAAFVLPKFVSDLIK 2PWP Chain:B ((16-275)) --------------AFSLKIKKILYETKSKYQNVLVFESTTYGKVLVLDGVIQLTEKDEFAYHEMMTHVPMTVSKEPKNVLVVGGGDGGIIRELCKYKSVENIDICEIDETVIEVSKIYFKNISCGYEDKRVNVFIEDASKFLENVTNTYDVIIVDSSDP--------NQNFYEKIYNALKPNGYCVAQCESLWIHVGTIKNMIGYAKKLFKKVEYANISIPTYPCGCIGILCCSKTDTGLTKPNKKLESKEFADL--KYYNYENHSAAFKLPAFL-----

General information: TITO was launched using: RESULT: Template: 2PWP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1364 -130720 -95.84 -529.23 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -95.84 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.599

(partial model without unconserved sides chains): PDB file : Tito_2PWP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PWP-query.scw PDB file : Tito_Scwrl_2PWP.pdb: