Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELLSGGEMLVRALADEGVEHVFGYPGGAVLHIYDALFQQDKINHYLVRHEQAAGHMADAYSRATGKTGVVLVTSGPGATNTVTPIATAYMDSIPMVVLSGQVASHLIGEDAFQETDMVGISRPIVKHSFQVRHASEIPAIIKKAFYIASSGRPGPVVVDIPKDATNPAEKFAYEYPEKVKMRS-YQPPSRGHS----GQIRKAIDELLTAKRPVIYTGGGVVQ-GNASALLTELAHLLGYPVTNTLMGLGGFPGDDPQFIGMLGMHGTYEANMAMHHADVILAIGARFDDRVTNNPAKFCPNSK---------VIHVDIDPATISKTIMAHIPIVGAVEPVLQEMLAQLKQLNVSKPNPEAIAAWWSQINEWRKVHGLKYENPSDGT-MKPQQVVETLYKVTNGDA---IITSDVGQHQMFGALYYKYKRPRQWINSGGLGTMGVGLPYAMAAKLAFPDQQVVCITGEASIQMCIQELSTCKQYGLNVKILCLNNRALGMVKQWQDMNYEGRHSSSYVESLPDFAKLMEAYGHVGIQINHADELESKLAEAMAINDKCVFINVMVDRSEHVYPMQVAGQSMRDMWISKGERI 5INU Chain:A ((82-638)) ---LTGGQIFNEMMSRQNVDTVFGYPGGAILPVYDAIHNSDKFNFVLPKHEQGAGHMAEGYARASGKPGVVLVTSGPGATNVVTPMADAFADGIPMVVFTGQVPTSAIGTDAFQEADVVGISRSCTKWNVMVKSVEELPLRINEAFEIATSGRPGPVLVDLPKDVT--AAILRNPIPTKTTLPSN---TSRAQDEFVMQSINKAADLINLAKKPVLYVGAGILNHADGPRLLKELSDRAQIPVTTTLQGLGSFDQEDPKSLDMLGMHGCATANLAVQNADLIIAVGARFDDRVTGNISKFAPEARRAAAEGRGGIIHFEVSPKNINKVVQTQIAVEGDATTNLGKMMSKIFPV-------KERSEWFAQINKWKKEYPYAYMEETPGSKIKPQTVIKKLSKVANDTGRHVIVTTGVGQHQMWAAQHWTWRNPHTFITSGGLGTMGYGLPAAIGAQVAKPESLVIDIDGDASFNMTLTELSSAVQAGTPVKILILNNEE----------------SHTH-QLNPDFIKLAEAMGLKGLRVKKQEELDAKLKEFVSTKGP-VLLEVEVDKK------------------------

General information: TITO was launched using: RESULT: Template: 5INU.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 : 3177 -76267 -24.01 -147.52 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -24.01 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.610

(partial model without unconserved sides chains): PDB file : Tito_5INU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5INU-query.scw PDB file : Tito_Scwrl_5INU.pdb: