Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEIAEVLPESMKNALSEIPEQQWLEIEEVRIRINRPVELIRRGQPVYLS--YAGTAEDAHLILSRL-SNYSMYTLEEELKKGYVTIRGGHRVGLAGRVITENGGVKGLRDIASFNIRIARQKLGIAEPLLPYLYQN-SWLNTLIIGPPQTGKTTLLRD-LARLSSTGKKNMLPV----------KTGIVDER------SEIAGCLRGIPQH-----QFGQ-R-----IDVLDACPKAEGLMMMIRSMSPEVMIVDEIGRM--EDTDALLEALHAGVSVIVSAHGW------------------SISDLMKRPSLKRLWEE-R-AF-DRYLELSRAKGPGTVSQIYDKDG-NVLSRTTGVKTC 2GSZ Chain:A ((1-349)) ELKILEIIKEAIELGAS-----------DIHLTAGAPPAVRIDGYIKFLKDFPRLTPEDTQKLAYSVMSEKHRQKLEENGQVDFSFGVRGVGRFRANVFYQRGSVAAALRSLPAEIPE--FKKLGLPDKVLELCHRKMGLI--LVTGPTGSGKSTTIASMIDYINQTKSYHIITIEDPIEYVFKHKKSIVNQREVGEDTKSFADALRAALREDPDVIFVGEMRDLETVETALRAAETGHLVFGTLHTNTAIDTIHRIVDIFPLNQQEQVRIVLSFILQGIISQRLLPKIGGGRVLAYELLIPNTAIRNLIRENKLQQVYSLMQMQTMNQTLYKLYKQGL-----ITLEDAMEASPDPKELER-

General information: TITO was launched using: RESULT: Template: 2GSZ.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 : 1430 30022 20.99 104.97 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 20.99 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.365

(partial model without unconserved sides chains): PDB file : Tito_2GSZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GSZ-query.scw PDB file : Tito_Scwrl_2GSZ.pdb: