Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------MSMPAAETQPKKKRMTFKMPDAYVLLFMIAFICAIASYIVPAG------EFDRVTKGDVTTAVP-------------GSYHSIEQ---SPVRLISFFTSLQDGMVGSAPIIFLILFTGGTIAILEKTGAINGLIYNVISKFRTKQLLFICIVGALFSILGTTGIVVNSVIGFIPIGLI--VARSLKWDAVAGAAVIYIGCYAGFNSTILSPSPLGLS---QSIAELPLFSGIGLRVVIYICFLLSSIIYIYLYTRKLKKSKDASVLGTDWFPAAGMGEAGKEEDQSVPFTVRHKLILAVAGLSLVGFLYGALKLGWSDSQMAATFIFISVLAGLIGGLAANDIAKTFITGCQSLVYGALIVGMARSISVILENGKLLDTVVNALASL-LDGFSPIAGAIGMYIASALLHFLISSGSGEAVVF--IPILA----PL-----------------ADLMGI---TRQVAVEAVMLGEGVVNCVNPTSGVLM------AVLAASGIPYVKW-LRFMVPLALIWFLI------------GLVFIVIGVMINWGPF---- 5FNO Chain:A ((38-605)) VVYTLPCEDGNSTARTAEIRLKQATLLYGPSLLGNASYFPGGPLGDAISLRDQTVWEGAAVVQSLRAFTDAAKVAANIKQNGGLNSLDDFKVLYQDGWKGSVPQGIARGQSENYTSDLLFSMERLSVNPYILKRLHPT-EDALPFQVDRATVKQLTKTSLKALHAAGRLFVADHSYQRNYTRLANRYSAACTALFYLDPRSN-------QFLPLAIKTNVGADLTYTPLDTDNNNWLLAKIMFNNNDLFHGQIFHVAYPHAIAEIVHLAALRTMSARHPVLALMERLMYQAYAVRPLGERVL-------FNKGGLFEQN--------FAYPQDMVYKFVGDSYPTT--GRWRAGYLDTDVRARGLVDADYGPELPHFPFYEDGSRLVEVIRRFVRSFVDATYHESDEMVAKDAELQAWVAEANGPAGVEDFEPGPLDTRERLVEVLTHMAWLTGCAHHVLNQGEPVTASGVLPMHPTALYAPVPTSKANTTADLLGYLPSAQKSVDQVTLLARFNRPDVVPTNQTLRYMFAAPQLLLGNGEAYRRANQRFVRAMGRISDEVKARRFDDRGLSQGMPFIWQALDPGNIPFYLSV

General information: TITO was launched using: RESULT: Template: 5FNO.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 : 2131 -280861 -131.80 -621.37 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -131.80 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.155

(partial model without unconserved sides chains): PDB file : Tito_5FNO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5FNO-query.scw PDB file : Tito_Scwrl_5FNO.pdb: