Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRLIQVMIMFTLLLTMAFSADAADSSYYDEDYRPQYHFTPEANWMNDPNGMVYYAGEYHLFYQYHPYGLQWGPMHWGHAVSKDLVTWEHLPVALYP---DEKGTIFSGSAVVDKNNTSGFQTGKEKPLVAIYTQDR--EGH-------QVQSIAYSNDKGRTWTKYAGNPVIPNPGKK---DFRDPKVFWYEKEKKWVMVLAAGD-----RILIYTSKNLKQWTYASEFGQDQGSHGGVWECPDLFELPVDGNPNQKKWVMQVSVGNGAVSG-----GSGMQYFVGDFD-GTHFKNENPPNKVLWTDYGRDFYAAVSWSDIPSTDSRRLWLGWMSNWQYANDVPTSPWRSATSIPRELKLKAFTEGVRVVQTPVKELETIRGTSKKWKNLTISPASHNVLAGQSGDAYEINAEFKVSPGSAAEFGFKVRTGEN-QFTKVGYDRRNAKLFVDRSESGNDTFNPAFNTGKETAPL---KPVNGKVKLRIFVDRSSVEVFGNDGKQVITDIILPDRSSKGLELYAANGGVKVKSLTIHPLKKVWGTTPFMSNMTGWTTVNGTWADTIEGKQGRSDGDSFILSSASGSDFTYESDITIKDGNGRGAGALMFRSDKDAKNGYLANVDAKHDLVKFFKFENGAASVIAEYKTPIDVNKKYHLKTEAEGDRFKIYLDDRLVIDAHDSVFSEGQFGLNVWDATAVFQNVTKES 3PIJ Chain:A ((41-515)) -----------------------------------PKYHIASNGGWINDPNGLCFYKGRWHVFYQLHPYGTQWGPMHWGHVSSTDMLNWKREPIMFAPSLEQEKDGVFSGSAVIDDNGDLRF----------YYTGHRWANGHDNTGGDWQVQMTALPDNDELTSATKQGM-IIDCPTDKVDHHYRDPKV--WKTGDTWYMTFGVSSADKRGQMWLFSSKDMVRWEYERVLFQHPDPDVFMLECPDFS--PIKDKDGNEKWVIGFSAMGSKPSGFMNRNVSNAGYMIGTWEPGGEFKPET--EFRLW-DCGHNYYAPQSF----NVDGRQIVYGWMSPFVQPIPMEDDGWCGQLTLPREITLG---DDGDVVTAPVAEMEGLREDTLDHGSVTLDMDGEQIIA-DDAEAVEIEMTIDLAASTAERAGLKIHATEDGAYTYVAYDGQIGRVVVDRQAMANG------DRGYRAAPLTDAELASGKLDLRVFVDRGSVEVYVNGGHQVLSSYSYASEGPRAIKLVAESGSLKVDSLKLHHMKSI---------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3PIJ.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 : 2667 97310 36.49 218.67 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 36.49 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_3PIJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PIJ-query.scw PDB file : Tito_Scwrl_3PIJ.pdb: