Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKEKIKRKLITILFVCIGMLCFGLLAGVKADNRVQMRTTINNESPLLLSPLYGN-----DNGNGLWWGNTLKGAWEAIPEDVKPYVAIELHPAKVCKPTSCIPRDTKELREWYVKMLEEA---------QSLNIPVFLVIMSAG------ERNTVPPEWLDEQFQKYSVLKGVLNIENYWIYNNQLAPHSAKYLEVCAKYGAHFIWHDH------EKWFWETIMNDPTFFEASQKYHKNLVLATKNTPIRD--DAGTDSIVSGFWLSGLCDNWGSSTDTWKWWEKHYTNTFETG---RARDMRSYASEPESMIAMEMMNVYTGGGTVYNFECAAYTFMTNDVPTPAFTKGIIPFFRHAIQNPAPSKEEVVNRTKAVFWNGEGRISSLNGFYQGLYSNDETMPLYNNGRYHILPVIHEKIDKEKISSIFPNAKILTK--NSEELSS---KVNYLNSLYPKLYEGDGYAQRVGNSWYIYNSNANINKNQQVMLPMYTNNTKSLSLDLTPHTYAVVKENPNNLHILLNNYRTDKTAMWALSGNFDASKSWKKEELE---LANWISKNYSINPVDNDFRTTTLTLKGHTGHKPQINISGDKNHYTYTE-NWDENTHVYTITVNHNGMVEMSINTEGTGPVSFPTPDKFNDGNLNIAYAKPTTQSSVDYNGDPNRAVDGNRNGNFNSGSVTHTRADNPSWWEVDLKKMDKVGLVKIYNRTDAETQRLSNFDVILYDNNRNEVAKKHVNNLSGESVSLDFKEKGARYIKVKLLTSGVPLSLAEVEVFRESDGKQSEEDIDKITEDKVVSTNKVATQSSTNYEGVAALAVDGNKDGDYGHHSVTHTKADSNAWWQVDLGEEFTVSKVDIYNRTDAEPQRLSNFDVIFLSSSGEEVFRRHFDKVVDGLLSLKVPSVGAKLVKIELKSAAIPLSLAEVEVYGSKRTPKKLSNIALTKETRQSSTDYNGFSRLAVDGNKNGDYGHHSVTHTKGDSPSWWEIDLAQTEELEKLIIYNRTDAEIQRLSNFDIIIYDSNNHEVFKQHIDSLESNNLSIDLKGLKGKKVRISLRNAGIPLSLAEVEVYTYK 4D6E Chain:A ((2-582)) ----------------------------------VDKRREINNEHPLLMMPLYANGEEFNQGKYTFWGGDTLTGKWENIPDDLKPYTVIQLHP-------DDLPKRDGAARDFYEHMLEEAAKYVNPKTGKNEPIPVILTVYTAGNMPYYTSAHWLSTSWIDKMYQKYPNLHGIFSTESYWIWANDIENKAADYLKVSAKNGGYFIWAEQNVGSAIEKAFGKN--GKIAFQKSVDKYWKNLIFMFKNTPAAEGNDSTTESYMKGLWLSNHTYQWGGLMDTWKWYETGKWKLFASGNIGKSQGDRQWLTEPESMLGEEALGVYLNGGVVYNFEHPAYTYGVNNKESLLFSEVIKEFFRYVIAHPAPSKEKVLEDTK-VFIHGDYSNKGNGKFFVNVNTDREQTPLYMTGRYNVIPAIPGVLKTDKL--------IQIKEITSPEFSSTQARKEYLNKLYPMNYEGDIFAQKLDNRWFVYNYKVNENVKQTGKLKF---NSLEMNVEFEPHTYGIFERISNGLKVNLNNFRTNKDSLW--SNAQDANQAKKLPQLTKKGAIKWIEEHYIKDTQFGEKRVTKIVLRGIDKLPTIHSLSGTNNSYDQPSLNFDQKNHMVTITINSNGNLEFELH----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4D6E.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 : 3283 190451 58.01 357.32 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 58.01 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_4D6E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4D6E-query.scw PDB file : Tito_Scwrl_4D6E.pdb: