Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLKVMTVFGTRPEAIKMAPLVLELKKYPEIDSYVTVTAQHRQMLDQVL-DAFHI-KPDFDLNIMKERQTLAEITSNALVRLDELFKDIKPDIVLVHGDTTTTFAGSLAAFYHQIAVGHVEAGLRTGNKYSPFPEELNRQMTGAIADLHFAPTGQAKDNLLKENKKADSIFVTGNTAIDAL---------NTTVRDGYSHPVLDQVGEDKMILLTAHRRENL--GEPMENMFKAIRRIVGEFEDVQVVYPVHLNPVVREAAHKHF---GDSDRVHLIEPLEVIDFHNFAAKSHFILTDSGGVQEEAPSLGKPVLVLRDTTERPEGVEAGTLKLAGTDEENIYQLAKQLLTDPDEYKKMSQASNPYGDGEASRRIVEELLFHYGYRKEQPDSFTGK 4NEQ Chain:A ((2-363)) ----KLSIILGTRPEIIKLSPIIRALEK-TNIDWHIIHTN----NMDKIFFEELNLPNPKYNLNIGS--GTHGEQTGKMLIEIEKVLLKEKPDVVVVQGDTNTVLAGALVASKLKIDVAHVEAGLRSFDRNMP--EEINRVLTDHISSYLFAPTEIAKNNLLREGIEENKIFVVGNTIVDATLQNLKIAEKNENVRAFFNSVVID----DDYFLLTLHRAENVDNKERLKNIVEGIFEII-EIYDKAIIFSIHPRTKKRLKEFNLFDKLKSNKKIKIIEPVGYLEFLMLEKNAELILTDSGGVQEEACILKVPCITLRDNTERPETVEVGANILVGDNKEKLIKAVEIMLNKKRNWK------NPFGNGKSGERIVRILTY---------------

General information: TITO was launched using: RESULT: Template: 4NEQ.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 : 1779 41485 23.32 121.66 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : 23.32 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_4NEQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NEQ-query.scw PDB file : Tito_Scwrl_4NEQ.pdb: