Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLRLDRLHYCILMSMGCISSPLVWAEDLNSDVAKLPTLHVEATRTDTGYLQTPASVFRIEAPQVDSSSQVNLTEVVKGIPSLQIRNRENYAQDLQLSMRGFGARSTFGVRGIR--------LYVDGIPATM-PDGQGQTS--NIDLSSLDHVEVLTGPFSSLYGNSSGGTILTSTKEGQGKD-SIE------LSYSGGSHDKSRAGLVLQGGAKGANEPSYIISSSYFDTDGYREHSGAEKVLNNAKLSWNLDDGSKINWVTNYVKINADDPGGLTRADWQNNPKQVVQNVLDYNARKEIEQTQTGLTWSKPINDQHELYAMTYMGQRQVTQYQSIPDTVQKNPNTPYQAGGVIDFKRNYY--GADFRWTGKELLPNTTLSIGVALDAMKEDRQGYQNFNDT-------GDKGVKGALRRDEDNTLWNIDPYVQASWQFLPTWRLDTGVRYSNVHYKSKDYYIVGLNGDNSGKTSYEEVLPSVALSWQITPEVLAYASYAKGFETPTFTEMAYPAQGGASTLDLKPSTSDTYETGLKSQN-----QLGDFTLAV---FQTKTKNDIVSAESFGGRSTFRNADKTLREGVEFAWNKKLWR-----DLIAI-ASYTYLDATFDSTVPAAGKISEIPE--GNAIPGIAKNQAYVSLAWQPSHGLYG----GVDVQYMDKVYVNDTNSDAA----PSYSVTSANVGYAWVMGDWKVNSFARVDNLFDRNYAGSVIVNDSTQPVGRYFEPADGRNWSAGLRVIKQF 1KMP Chain:A ((180-746)) ------------------------------------------------------------------------------------------------------------FGIRGLNPRLASRSTVLMDGIPVPFAPYGQPQLSLAPVSLGNMDAIDVVRGGGAVRYGPQSVGGVVNFVTRAIPQDFGIEAGVEGQLSPTSSQNNPKETHNLMVGGTADNGFGTALLYSGTRGSD-WREHSATRIDDLMLKSKYAPDEVHTFNSLLQYYDGEADMPGGLSRADYDADRWQSTRPYDRFWGRRKL----ASLGYQFQPDSQHKFNIQGFYTQTLRSGYLEQGKRITLSP-------------RNYWVRGIEPRYSQIFMIGPSAHEVGVGYRYLNESTHEMRYYTATSSGQLPSGSSPYDRDTRSGTEAHAWYLDDKID-----IGNWTITPGMRFEHI----ESYQNNAITGTHE-EVSYNAPLPALNVLYHLTDSWNLYANTEGSFGTVQYSQIGKAVQSG----NVEPEKARTWELGTRYDDGALTAEMGLFLINFNNQYDSNQTNDTVTARG-----------KTRHTGLETQARYDLGTLTPTLDNVSIYASYAYVNA----------EIREKGDTYGNLVPFSPKHKGTLGVDYKPGNWTFNLNSDFQSSQFADNANTVKESADGSTGRIPGFMLWGARVAYDFGPQMADLNLAFGVKNIFDQDY-----------------------------------

General information: TITO was launched using: RESULT: Template: 1KMP.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 : 2965 156730 52.86 303.74 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 52.86 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.102

(partial model without unconserved sides chains): PDB file : Tito_1KMP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KMP-query.scw PDB file : Tito_Scwrl_1KMP.pdb: