Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------MSQKMNHLDVG----------EFVLLLPEHLRSEEEHYKSVFEDDLTSRISSQDERQQMTATVGYLES--GQDRFVYNTTPISYQQFLKDPI------IIVITPQSTGPQS--ILFWI--DAVQNYVLFNQLSDA-------------------------------QELIQRQGIENWVSEMQTGYHNYITLLDNIQRERWVMLAGAVLGIATSILLFNTMNRLYFEEFRRAIFIKRIA-GLRFLEIHRTYLFAQLGV---------FLLGFVASVFLQVEIGV-----------AFLVLLLFTGLSLLQLHVQMQKENKMSMLVLKGG------------------------ 1NA6 Chain:A ((4-398)) SVFHNWLLEIACENYFVYIKRLSANDTGATQVGLYIPSGIVEKLFPSINHTRELNPSVF---LTAHVSSHDCPDSEARAIYYNSAHFGKTRNEKRITRWGRGSPLQDPENTGALTLLAFKLDEQGGDCKEVNIWVCASTDEEDVIETAIGEVIPGALISGPAGQILGGLSLQQAPVNHKYILPEDWHLRFPSGSEIIQYAASHYDPDEQLLDRRRVEYDIFLLVEELHVLDIIRKGFGSVDEFIALANSVSNRRKSRAGKSLELHLEHLFIEHGLRHFATQAPDFLFPSAGAYHPLRMLAVKTTCKDRWRQILNHLFTLQEGVS--LAQYREMRESGVRLVVPSSLHKKYPEAVRAELMTLGAFIAELTG

General information: TITO was launched using: RESULT: Template: 1NA6.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 : 1046 -23243 -22.22 -92.97 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -22.22 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.173

(partial model without unconserved sides chains): PDB file : Tito_1NA6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NA6-query.scw PDB file : Tito_Scwrl_1NA6.pdb: