Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELLSGGEMLVRALADEGVEHVFGYPGGAVLHIYDALFQQDKINHYLVRHEQAAGHMADAYSRATGKTGVVLVTSGPGATNTVTPIATAYMDSIPMVVLSGQVASHLIGEDAFQETDMVGISRPIVKHSFQVRHASEIPAIIKKAFYIASSGRPGPVVVDIPKDATNPAEKFAYEYPEKVKMRSYQPPSRGHS----GQIRKAIDELLTAKRPVIYTGGGVVQ-GNASALLTELAHLLGYPVTNTLMGLGGFPGDDPQFIGMLGMHGTYEANMAMHHADVILAIGARFDDRVTNNPAKFCPNSK---------VIHVDIDPATISKTIMAHIPIVGAVEPVLQEMLAQLKQLNVSKPNPEAIAAWWSQINEWRKVHGLKYENPSDGT-MKPQQVVETLYKVTNGDA---IITSDVGQHQMFGALYYKYKRPRQWINSGGLGTMGVGLPYAMAAKLAFPDQQVVCITGEASIQMCIQELSTCKQYGLNVKILCLNNRALGMVKQWQDMNYEGRHSSSYVESLPDFAKLMEAYGHVGIQINHADELESKLAEAMAINDKCVFINVMVDRSEHVYPMQVAGQSMRDMWISKGERI 5FEM Chain:B ((82-656)) ---LTGGQIFNEMMSRQNVDTVFGYPGGAILPVYDAIHNSDKFNFVLPKHEQGAGHMAEGYARASGKPGVVLVTSGPGATNVVTPMADAFADGIPMVVFTGQVPTSAIGTDAFQEADVVGISRSCTKWNVMVKSVEELPLRINEAFEIATSGRPGPVLVDLPKDVT--AAILRNPIPTKTTLPS---TSRAQDEFVMQSINKAADLINLAKKPVLYVGAGILNHADGPRLLKELSDRAQIPVTTTLQGLGSFDQEDPKSLDMLGMHGCATANLAVQNADLIIAVGARFDDRVTGNISKFAPEARRAAAEGRGGIIHFEVSPKNINKVVQTQIAVEGDATTNLGKMMSKIFPV-------KERSEWFAQINKWKKEYPYAYMEETPGSKIKPQTVIKKLSKVANDTGRHVIVTTGVGQHQMWAAQHWTWRNPHTFITSGGLGTMGYGLPAAIGAQVAKPESLVIDIDGDASFNMTLTELSSAVQAGTPVKILILNNEEQGMVTQWQSLFYEHRYSHTH-QLNPDFIKLAEAMGLKGLRVKKQEELDAKLKEFVSTKGP-VLLEVEVDKKVPVLPM-VAGGSGLDEFIN-----

General information: TITO was launched using: RESULT: Template: 5FEM.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 3468 -60633 -17.48 -110.04 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -17.48 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.589

(partial model without unconserved sides chains): PDB file : Tito_5FEM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5FEM-query.scw PDB file : Tito_Scwrl_5FEM.pdb: