Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKEKIKRKLITILFVCIGMLCFGLLAGVKADNRVQMRTTINNESPLLLSPLYGNDNGN-----GLWWGNTLKGAWEAIPEDVKPYVAIELHPAKVCKPTSCIPRDTKELREWYVKMLEEAQS---------LNIPVFLVIMSAGE------RNTVPPEWLDEQFQKYSVLKGVLNIENYWIYNNQLAPHSAKYLEVCAKYGAHFIWHDHEKWFWE-----TIMNDPTFFEASQKYHKNLVLATKNTPIR--DDAGTDSIVSGFWLSGLCDNWGSSTDTWKWWEKHYTNTFETG---RARDMRSYASEPESMIAMEMMNVYTGGGTVYNFECAAYTFMTNDVPTPAFTKGIIPFFRHAIQNPAPSKEEVVNRTKAVFWNGEGRISSLNGFYQGLYSNDETMPLYNNGRYHILPVIHEKIDKEKISSIFPN--AKI---LTKNSEELSSKVNYLNSLYPKLYEGDGYAQRVGNSWYIYNSNANINKNQQVMLPMYTNNTKSLSLDLTPHTYAVVKENPNNLHILLNNYRTDKTAMWALSGNF-DASKSWKKEELELANWISKNYSINPVDNDFRTTTLTLKGHTGHKPQINIS-GDKNHYT-YTENWDENTHVYTITVNHNGMVEMSINTEGTGPVSFPTPDKFNDGNLNIAYAKPTTQSSVDYNGDPNRAVDGNRNGNFNSGSVTHTRADNPSWWEVDLKKMDKVGLVKIYNRTDAETQRLSNFDVILYDNNRNEVAKKHVNNLSGESVSLDFKEKGARYIKVKLLTSGVPLSLAEVEVFRESDGKQSEEDIDKITEDKVVSTNKVATQSSTNYEGVAALAVDGNKDGDYGHHSVTHTKADSNAWWQVDLGEEFTVSKVDIYNRTDAEPQRLSNFDVIFLSSSGEEVFRRHFDKVVDGLLSLKVPSVGAKLVKIELKSAAIPLSLAEVEVYGSKRTPKKLSNIALTKETRQSSTDYNGFSRLAVDGNKNGDYGHHSVTHTKGDSPSWWEIDLAQTEELEKLIIYNRTDAEIQRLSNFDIIIYDSNNHEVFKQHIDSLESNNLSIDLKGLKGKKVRISLRNAGIPLSLAEVEVYTYK 4D6G Chain:A ((1-586)) ---------------------------------EVDKRREINNEHPLLMMPLYANGEEFNQGKYTFWGGDTLTGKWENIPDDLKPYTVIQLHPDDLPK-------RDGAARDFYEHMLEEAAKYVNPKTGKNEPIPVILTVYTAGNMPYHTSAHWLSTSWIDKMYQKYPNLHGIFSTESYWIWANDIENKAADYLKVSAKNGGYFIWAEQNSG-SAIEKAFGKNGKIAFQKSVDKYWKNLIFMFKNTPAAEGNDSTTESYMKGLWLSNHTYQWGGLMDTWKWYETGKWKLFASGNIGKSQGDRQWLTEPESMLGEEALGVYLNGGVVYNFEHPAYTYGVNNKESLLFSEVIKEFFRYVIAHPAPSKEKVLEDTKVFIHGDYSN-KGNGKFFVNVNTDREQTPLYMTGRYNVIPAIPGVLKTDKLKESVSSSRIQIKEITSPEFSSTQARKEYLNKLYPMNYEGDIFAQKLDNRWFVYNYKVNENVKQTGKLK--FNSL-EMNVEFEPHTYGIFERISNGLKVNLNNFRTNKDSLWSNAQDANQAKKLPQLTKKGAIKWIEEHYIKDTQFGEKRVTKIVLRGID-KLPTIHSLSGTNNSYDQPSLNFDQKNHMVTITINSNGNLEFELHFLEH------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4D6G.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 : 3342 196138 58.69 357.92 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 58.69 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.536

(partial model without unconserved sides chains): PDB file : Tito_4D6G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4D6G-query.scw PDB file : Tito_Scwrl_4D6G.pdb: