Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRVVITGMGINSCIGNSLEEVTHSLKNGISGTRFNPTYAELNFKSHVSAAAEQDFDN-IDRKLKRFMGVCAMYAYNSAVAAVEHAGLKAEDLADNPRYGIAGGSGGGSTASVVEMTELLE-TKGARKVGPFFVPRNMTNTITANVGVAFKLQGIAHSIASACATSADAIGYAYNLIALGKQDLMLAGGGEEDHWSQSLLFDAMGALCSKYNDTPETASRPYSKDRDGFVIAGGGGFVVLESLEHAQARGANILAEVVAYAANSDGADMVAPSGEGATRCILMALEEAKQHGVD-KIDYVNTHGTSTPAGDVTELKAMERAFGEGKVPPLSSTKSMTGHSLGAAGVHEAIYSVLMLQNDFIAPNINVTELDEGTEGFDIVLEKRDTKLNTVMSNSFGFGGVNACLIFKKWDA 2BYZ Chain:D ((13-415)) MKRAVITGLGIVSSIGNNQQEVLASLREGRSGITFSQELKDSGMRSHVWGNVKLDTTGLIDRKVVRFMSDASIYAFLSMEQAIADAGLSPEAYQNNPRVGLIAGSGGGSPRFQVFGADAMRGPRGLKAVGPYVVTKAMASGVSACLATPFKIHGVNYSISSACATSAHCIGNAVEQIQLGKQDIVFAGGGEELCWEMACEFDAMGALSTKYNDTPEKASRTYDAHRDGFVIAGGGGMVVVEELEHALARGAHIYAEIVGYGATSDGADMVAPSGEGAVRCMKMAM-----HGVDTPIDYLNSQGTSTPVGDVKELAAIREVFGD-KSPAISATKAMTGHSLGAAGVQEAIYSLLMLEHGFIAPSINIEELDEQAAGLNIVTETTDRELTTVMSNSFGFGGTNATLVMRK---

General information: TITO was launched using: RESULT: Template: 2BYZ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 2779 -49537 -17.83 -123.84 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain D : 0.87 3D Compatibility (PKB) : -17.83 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_2BYZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BYZ-query.scw PDB file : Tito_Scwrl_2BYZ.pdb: