Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLIGYFAYKRTSNLTDYMLGGRSLGPAVTALSAGAADMSGWLLMGLPGAMFSTGLSGAWIVIGLCLGAWANWLYVAPRLRTYTEKAGNSITIPGFLENRFGDQTKLLRLFSGIVILVFFTFYVSSGMVSGGVLFNSILGM-----DYHTGLWIVTGVVVAYTLFGGFLAVSWTDFVQGIIMFAALILVPIVTFFHTGG-AGDTVAEIRSVDPDMFNIFKGTSVLG-IISLFAWGLGYFGQPHIIVRFMA--------ITSVKEIKRARRIGMGWMILSAVGAVLTGLGGIAYYHQRGMTLKDPETIFIQLGNILFHPIITGFLISAILAAIMSTI-SSQLLVTSSSLVEDLYKSMFRRSASDKELVFLGRLAVLAVSIVALVLAWEKNNTILGLVSYAWAGFGASFGPVVLLSLFWKRMTK----------------WG----ALAGMIVGAATVIIWANAGLSDFLYEMIPGFAASLLSVFFVSILTQAPSQAVTDQFNDYQDTMSQ 2JLN Chain:A ((23-457)) --------------------AERSVGPFSLAAIWFAMAIQVAIFIAAGQ--MTSSFQVWQVIVAIAAGCTI-AVILLFFTQSAAIRW-G-INFTVAARMPF-G-IR-GSLIPITLKALLSLFWFGFQTWLGALALDEITRLLTGFTNLPLWIVIFGAIQVVTT-FYGITFIRWMNVFASPVLLAMGVYMVYLMLDGADVSLGEVMSMGGE--------NPGMPFSTAIMIFVGGWIAVVVSIHDIVKECKVDPNASREGQTKADARYATA-QWLGMVPASIIFGFIGAASMVLVG--E---WNPVIAITEVVGG-VSIPMAILFQVFVLLATWSTNPAANLLSPAYTLCS-TFPRVFT-----F-----KTG-VIVSAVVGLLMMPWQFAGVLNTFLNLLASALGPLAGIMISDYFLVRRRRISLHDLYRTKGIYTYWRGVNWVALAVYAVALAVSFLTPD-------LMFVTGLIAALLLHIPAMRWVAKTFPLFSE-----------

General information: TITO was launched using: RESULT: Template: 2JLN.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 : 1928 -319941 -165.94 -801.86 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -165.94 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.294

(partial model without unconserved sides chains): PDB file : Tito_2JLN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2JLN-query.scw PDB file : Tito_Scwrl_2JLN.pdb: