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 5INV Chain:A ((82-638)) ---LTGGQIFNEMMSRQNVDTVFGYPGGAILPVYDAIHNSDKFNFVLPKHEQGAGHMAEGYARASGKPGVVLVTSGPGATNVVTPMADAFADGIPMVVFTGQVPTSAIGTDAFQEADVVGISRSCTKWNVMVKSVEELPLRINEAFEIATSGRPGPVLVDLPKDVT--AAILRNPIPTKTTLPS--------DEFVMQSINKAADLINLAKKPVLYVGAGILNHADGPRLLKELSDRAQIPVTTTLQGLGSFDQEDPKSLDMLGMHGCATANLAVQNADLIIAVGARFDDRVTGNISKFAPEARRAAAEGRGGIIHFEVSPKNINKVVQTQIAVEGDATTNLGKMMSKIFPV-------KERSEWFAQINKWKKEYPYAYMEETPGSKIKPQTVIKKLSKVANDTGRHVIVTTGVGQHQMWAAQHWTWRNPHTFITSGGLGTMGYGLPAAIGAQVAKPESLVIDIDGDASFNMTLTELSSAVQAGTPVKILILNNE-----------------SHTH-QLNPDFIKLAEAMGLKGLRVKKQEELDAKLKEFVSTKGP-VLLEVEVDKK------------------------

General information: TITO was launched using: RESULT: Template: 5INV.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 : 3162 -85702 -27.10 -167.71 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -27.10 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.641

(partial model without unconserved sides chains): PDB file : Tito_5INV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5INV-query.scw PDB file : Tito_Scwrl_5INV.pdb: