Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRVVITGMGINSCIGNSLEEVTHSLKNGISGTRFNPTYAELNFKSHVSAAAEQDFDN-IDRKLKRFMGVCAMYAYNSAVAAVEHAGLKAEDLADNPRYGIAGGSGGGSTASVVEMTELLE-TKGARKVGPFFVPRNMTNTITANVGVAFKLQGIAHSIASACATSADAIGYAYNLIALGKQDLMLAGGGEEDHWSQSLLFDAMGALCSKYNDTPETASRPYSKDRDGFVIAGGGGFVVLESLEHAQARGANILAEVVAYAANSDGADMVAPSGEGATRCILMALEEAKQHGVD-KIDYVNTHGTSTPAGDVTELKAMERAFGEGKVPPLSSTKSMTGHSLGAAGVHEAIYSVLMLQNDFIAPNINVTELDEGTEGFDIVLEKRDTKLNTVMSNSFGFGGVNACLIFKKWDA 2VB7 Chain:A ((1-403)) MKRAVITGLGIVSSIGNNQQEVLASLREGRSGITFSQELKDSGMRSHVWGNVKLDTTGLIDRKVVRFMSDASIYAFLSMEQAIADAGLSPEAYQNNPRVGLIAGSGGGSPRFQVFGADAMRGPRGLKAVGPYVVTKAMASGVSACLATPFKIHGVNYSISSACATSAHCIGNAVEQIQLGKQDIVFAGGGEELCWEMACEFDAMGALSTKYNDTPEKASRTYDAHRDGFVIAGGGGMVVVEELEHALARGAHIYAEIVGYGATSDGADMVAPSGEGAVRCMKMAM-----HGVDTPIDYLNSHGTSTPVGDVKELAAIREVFGD-KSPAISATKAMTGHSLGAAGVQEAIYSLLMLEHGFIAPSINIEELDEQAAGLNIVTETTDRELTTVMSNSFGFGGTNATLVMRK---

General information: TITO was launched using: RESULT: Template: 2VB7.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 : 2778 -45194 -16.27 -112.99 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -16.27 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.463

(partial model without unconserved sides chains): PDB file : Tito_2VB7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VB7-query.scw PDB file : Tito_Scwrl_2VB7.pdb: