Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence METIIIALIAFIIGIIAIPIVLFAWIYIKDEKQQEHSILRNYPVIGRFRYILEKIGPELRQYLYSNDNEEQPFSRKEYEQTVISGKYKSRMMGFGSVRDFDKPGYYIRNAMFPKQREEMHVNQTPKIETQIYKMDADNLFKRKEHAEHIKADPYFLHPDDVQVIGEHTCEKPFYVKGLVGQSAMSYGSLG-ERAVTALSKGLHLAGGTWMNTGEGGLS-EYHLKG---GADIICQIGPGLFGVRKRNGEFSWEEFKRKSRIDQIKAFELKLAQGAKTRGGH-VDGA-KVSEEVADIRNVEPGKSIDSPNRFYEFSNPPEMLDFIEKLRDVGQKPVGIKLVAGHPEELHELFSHMQKSGKHPDFITIDGSEGGTGASFYELADTVGLPIMTALPIVDTLLKQYGLRSQLKIFASGKLLTPDKIAVALALGADFVNIARGMMFSVGCIRALVCHTNTCPAGVATTDPKLQKALSVEEKQHRVCNYVISLREGLFNLAAAAGINSPIHFSKEHVVYRKEDGSIINIDNLIHQFVS 2NLI Chain:A ((50-362)) -----------------------------------------------------------------------------------------------------------------------------------------RAWKHKLLYPRLAQDV--EAPDTSTEILGH------KIKAPFIMAPIAAHGLAHTTKEAGTARAVSEF-GTIMSISAYSGATFEEISEGLNGGPRWFQI----YMAKDDQ--Q-NRDILDEAKSDGATAIILTADST-----NRDYPFGMPIVQRY--LRGTAEGM--------YGASKQKISPRDIEEIAGHSGLPVFVKGIQH-----PEDADMAI--KRGASGIWVSNHGARQLY-----E---APGSFDTLPAIAERV-----NKRVPIVFDSGVRRGEHVAKALASGADVVALGRPVLFGLAL-----------------------------GGWQGAYSVLDYFQKDLTRVMQLTGSQNVEDLKGLDLFDN------------------

General information: TITO was launched using: RESULT: Template: 2NLI.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 : 1705 -122781 -72.01 -423.38 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -72.01 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_2NLI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NLI-query.scw PDB file : Tito_Scwrl_2NLI.pdb: