Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYDTIVIGAGQAGISIGYYLKQSDQKFIILDKSHEVGESWKDRYDSLVLFTSRMYSSLPGMHLEGEKHGFPSKNEIVAYLKKYVKKFEIPI--QLRTEVISVLKIKNYFLIKTNREEYQTKNLVIATGPFHTPNIPSISKDLSDNINQLHSSQYKNSKQLAYGNVLVVGGGNSGAQIAVELSKERVTYLACSNKLVYFPLMIGKRSIFWWFDKLGVLHASHTSIVGKFIQKKGDPVFGHELKHAIKQKEIILKKR---VIAAKQNEIIFK-------DSSTLEVNNIIWATGFRNPLCWINIKGVLDQEGRI-IHHRGVS--PVEGLYFIGLPWQHKRGSALLQGVGNDAEYIVKQMNGE 4C5O Chain:A ((5-348)) --DVVVIGGGQSGLSAGYFLRRS-LSYVILDAEASPGGAWQHAWHSLHLFSPAGWSSIPGWPMPASQGPYPARAEVLAYLAQYEQKYALPVLRPIRVQRVSHFGER-RVVARDGR-QW-ARAVISATGTWGEAYTPEYQGLESFAGIQLHSAHYSTPAPFAGMRVAIIGGGNSGAQILAEVSTVAETTWITRTEPAFLADDVDGRVLF-----------ER----------------------DIVMVPPVLDARARGVLAAVPPPARFSPTGMQWADGTERAFDAVIWCTGFRPALSHLKGLDLVTPQGQVEVDGSGLRALAVPSVWLLGYGDWNGMASATLIGVTRYAREAVRQVT--

General information: TITO was launched using: RESULT: Template: 4C5O.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 : 1648 -48817 -29.62 -160.58 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -29.62 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_4C5O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4C5O-query.scw PDB file : Tito_Scwrl_4C5O.pdb: