Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MLKINDFPHDNNFWKVEWIGGVYNDIDGEPRIRIYLAQIKSN------IERQKTLYNSSLEVRNQ----QNISSVHDVKIGLIQFIPIGSVWKNGILDQ-SFTAQYEQFNFNSDTPSEVCFQSQYGGIAETGLNNTTEWNNHLNDFHYRIVNSEARALGNYINVFYDYNGLSRIYIPSIVILQACYITSPKSARH----IIFGQINKLLDPETSGFIDKETFRIHLHRDYKDIEAPMIANLATNFNAKMGLRTLRQSLVKESNITSISTPKRLKISFPFSN---DFSIKVKGKYIMENNKIYGFFVTQIIEFSTKFD--------------FTKLVIFRKNSNQKGKEKA-ENLQNAYEGCNAVRPSHSESLDDKDESQPLIFTHDQVSNQNLPQSIDF--PLCSNISNLE-------VLKEDKDIQYYQNASYTNLN--LRPSNTTSTGPAISSNNGV-----SELQIEPSLPVDLEYFFDVLEILNKLGY------QFKSIAVNNSRDHPRGIINQFNRFIKNLHKWHLQDDDQTPRPFIVAEMIYKGAFYYLLDIAPRKGAALSAQLIRAYTGEQITPTAFAILLNDVARTSPKGWSVLDHAKYSQKWQHFRIEHNRNNKPELVAKNIIKKLG 4YJ1 Chain:A ((1-615)) GFSPLMDFFHSVEGRNYGELRSLTNETYQISENVRCTFLSIQSDPFAPGSQVRLVCPCTFSLEKVLQTTDLAAANPCRRVAAEDFILRSFHAGYRNGIPRRTSGAVQVLRPSQHVLERSTVGLVKAHQ--AEIEIFARVKLPGH----------------GRRID---GHGAIDIFYNELVPLLEQCVVGLNEEDLHQHVICVHDQEVLRSNLLGAGYVAFVANGAILPRDAGNSDKPLRDN-AVPFQSPKSLECSFTLPHSGKTITGMGLPPGLTLIAGGGFHGKSTLLRALEVGIYNHVPDDGRTYVVVDPTAVKIRAEDRRSVHGVDISPFINNLPFGKTTNFFVTADASGSTSQAANIMEALELGSQLLLLDEDTCATNLMYRDALMQMLVPRAQEPITPFVERVADLSQNHGVSSIMVIGGSGQYFPQARVVLVMNAYQISDCTKEAKEIASNSSLPGDTASVFIPDVNRCFDPDGSFTTVRRGTKVSGIGTESIRFSEETIDLSMVEQIVEEGQVNAIAQCLALLYDGE------PRIVPEMTTKGGA---LTQLPSPGGVCEIQ-RGKFNSNFSSMIAGCCSHQHDKRLELRTPSCYLPRGFTSATRHIEIGAALNRLRTLRTVT------

General information: TITO was launched using: RESULT: Template: 4YJ1.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 : 2816 94960 33.72 174.88 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 33.72 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.079

(partial model without unconserved sides chains): PDB file : Tito_4YJ1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YJ1-query.scw PDB file : Tito_Scwrl_4YJ1.pdb: