Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRTWNVCLTALLSVLLVAGSVPFHAEAKKPPKSYDEYKQVDVGKDGMVATAHALASEIGADVLKKGGNAIDAAVAIQFALNVTEPMMSGIGGGGFMMVYDGKTKDTTIIDSRERAPAGATPDMFLDENGKAIPFSERVTKGTAVGVPGTLKGLEEALDKWGTRSMKLLITLTIKLAEKGFPIDSVLADAISDYQEKLSRTA-AKDVFLPNGEPLKEGDTLIQKDLAKTFKLIRSKGTDAFYKGKFAKTLSDTVQDFGGSMTEKDLENYDITIDEPIWGDYQGYQIATTPPPSSGGIFLLQMLKILDDFNLSQYDVRSWEKYQLLAETMHLSYADRASYAGDPEFVNVPLKGLLHPDYIKERQQLINLDQVNKKPKAGDPWKYQEGSANYKQVEQPKDKVEGQTTHFTVADRWGNVVSYTTTIEQL-FGTGIMVPDYGVILNNELTDFDAIPGGANEVQPNKRPLSSMTPTILFKDDKPVLTVGSPGGATIISSVLQTILYHIEYGMGLKAAVEEPRIYTTSM----S-SYRYEDG-VPKDVLSKLNGMGHRFGTSPVDIGNVQSISIDHENGTFKGVVISGSNDAAIGINLKRK 2I3O Chain:A ((5-515)) --------------------------------------RPNALSQRSVIASSSELASLAGRDILKRGGNIFDAALAVSAMLCVTQNNLCGLGGDLFALIRDEN-GQIMDLNGSGQASRAVSIDYYESMGL---TKIPERGPYAAITVPGIAGSWDEIFRKFATMDIADILEPAIRTASAGFPITQNYSDSIARSAPVIGQYRGWSSIFMPNGSVPVAGEILKQPDLAESFRLMSEEGFRSFYDGSLADIIIAGLEGTGSPLSDRDLRVYRPLIGKPVFTDLDEFRIYETSPNSQGITV-IEWIRGMESHGYDSRT-MWEAKIEDIFETMEEAYDKRR-KITDPSYMN-----------------GL-------------PK--------------RDHNDIGDTTYFSISDSEGRSVSIIQSNY-MGFGSGIVPKGTGFVLQNRGSYFTLQRDHPNALMPGKRTFHTLAACMVEKEHDLYASLGSMGGDIQPQVQMQILMEILKDNTDPQAILDKPRWTEPYTIYEAPGAVYVESEELYRNVSKQISGRKVVLRDVSQEFGTAQITTLI-RGDVVVGAADPRGDGIAIPY-----

General information: TITO was launched using: RESULT: Template: 2I3O.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 : 3315 -44281 -13.36 -90.18 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -13.36 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.522

(partial model without unconserved sides chains): PDB file : Tito_2I3O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2I3O-query.scw PDB file : Tito_Scwrl_2I3O.pdb: