Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLRLDRLHYCILMSMGCISSPLVWAEDLNSDVAKLPTLHVEATRTDTGYLQTPASVFRIEAPQVDSSSQVNLTEVVKGIPSLQI-RNRENYAQDLQLSMRGFGARSTFGVRGIR--------LYVDGIPATM-PDGQGQTS--NIDLSSLDHVEVLTGPFSSLYGNSSGGTILTSTKEGQGKD-SIE------LSYSGGSHDKSRAGLVLQGGAKGANEPSYIISSSYFDTDGYREHSGAEKVLNNAKLSWNLDDGSKINWVTNYVKINADDPGGLTRADWQNNPKQVVQNVLDYNARKEIEQTQTGLTWSKPINDQHELYAMTYMGQRQVTQYQSIPDTVQKNPNTPYQAGGVIDFKRNYY--GADFRWTGKELLPNTTLSIGVALDAMKEDRQGYQNFNDT-------GDKGVKGALRRDEDNTLWNIDPYVQASWQFLPTWRLDTGVRYSNVHYKSKDYYIVGLNGDNSGKTSYEEVLPSVALSWQITPEVLAYASYAKGFETPTFTEMAYPAQGGASTLDLKPSTSDTYETGLKSQN-----QLGDFTLAV---FQTKTKNDIVSAESFGGRSTFRNADKTLREGVEFAWNKKLWR-----DLIAI-ASYTYLDATFDSTVPAAGKISEIPE-----GNAIPGIAKNQAYVSLAWQPSHGLYG----GVDVQYMDKVYVNDTNSDAA----PSYSVTSANVGYAWVMGDWKVNSFARVDNLFDRNYAGSVIVNDSTQPVGRYFEPADGRNWSAGLRVIKQF 1KMO Chain:A ((153-746)) -------------------------------------------------------------------------MREVLNRIPGVSAPENNGTGSHDLAMN---------FGIRGLNPRLASRSTVLMDGIPVPFAPYGQPQLSLAPVSLGNMDAIDVVRGGGAVRYGPQSVGGVVNFVTRAIPQDFGIEAGVEGQLSPTSSQNNPKETHNLMVGGTADNGFGTALLYSGTRGSD-WREHSATRIDDLMLKSKYAPDEVHTFNSLLQYYDGEADMPGGLSRADYDADRWQSTRPYDRFWGRRKL----ASLGYQFQPDSQHKFNIQGFYTQTLRSGYLEQGKRITLSP-------------RNYWVRGIEPRYSQIFMIGPSAHEVGVGYRYLNESTHEMRYYTATSSGQLPSGSSPYDRDTRSGTEAHAWYLDDKID-----IGNWTITPGMRFEHI----ESYQNNAITGTHE-EVSYNAPLPALNVLYHLTDSWNLYANTEGSFGTVQYSQIGKAVQSG----NVEPEKARTWELGTRYDDGALTAEMGLFLINFNNQYDSNQTNDTVTARG-----------KTRHTGLETQARYDLGTLTPTLDNVSIYASYAYVNA-------------EIREKGDTYGNLVPFSPKHKGTLGVDYKPGNWTFNLNSDFQSSQFADNANTVKESADGSTGRIPGFMLWGARVAYDFGPQMADLNLAFGVKNIFDQDY-----------------------------------

General information: TITO was launched using: RESULT: Template: 1KMO.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 : 3295 138640 42.08 257.22 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 42.08 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.074

(partial model without unconserved sides chains): PDB file : Tito_1KMO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KMO-query.scw PDB file : Tito_Scwrl_1KMO.pdb: