Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRAIIKFKWAIAAIVLALTVVLSLFSPNLTELANQKGQAQLPADAVSERANAILKQAGEDNNSISVVFTLDNAIKKETENQLRIIIDKIKKIDGVEEVTSPLSAEKEVKDQLMSKDKKTVLMPVTITGSDKKAEKIADEIYQIVPDDLTAYITGASLINQDFAHSSEEGLKKTEVITVCLIIGLLLIVFRSVVTPFIPIVVVGFSYLISQSILGILVYNVDFPISTFTQTFLVAILFGIGTDYCILLLTRFREELA-NGHDKKEAALIAYRTGGKTLFISGFAVLIGFSALGF---AKFAIFQSAVG-VAVGVGILMIILYTLLPLFMVTLGEKLFWPSKKVLS--H-------SDNKLWAFLGRHSVARPFLFIVITVVITLP-FILTYDDQISFDSTAEISSDYKSIKALEAIKDGFGEGKAFPINVVVKGDKDLTTADTIPYLGNISKAIEKV--DHVDSVMTITQPTGKKIKDLYIDNQLGSVSDGLDKTV------KGIADVQSGLTDIENGLNQMAGQT-GSA-----SNGGSGG-SLGD-AADGLGKINQQLQLVSKQISQTGNTAQTVQQLTAISGQLGQIQTGLEQANQQLSGQQAQ-------AGTLTESLKKLSEGVKSANEGLTKVS--DGITASS----------DILEDMSKSPTVRDTGIFIPDQVMKDKDFKKSIDQYSFADGKGVQLSVVLDSNPYSEQAITTINQIKKAVANEVDGTPLENAQIVYGGVTSMNADLKELSTTDFSRTMVIMIIGLFIVLTILFRSMIMPIYMIASLLLTYYTSISITELIFVNGLGNAGVSWAVPFFSFVILIALGVDYSIFLLDRFKEEVHLG-IEQ-GVVRSMSKMGSVIITAAIILAGTFAAMMPSGV---NTLMQVASVIIIGLLLYGLVILPLFIPAIIATFGEGNWWPFGRKKGKE 3W9I Chain:A ((318-1030)) ------------------------------------------------------------------------------------------------------------------------------------------------PQGMKVVYPYDTT---PVVSASIHEVVKTLGEAILLVFLVMYLFLQNFRATLIPTIAVPVVLLGTFGVLAAFGFS----INTLT-MFGMVLAIGLLVDDAIVVVENVERVMAEEGLSPREAARKSMGQIQGALVGIAMVLSAVFLPMAFFGGSTGVIYRQFSITIVSAMALSVIVALILTPALCATMLKP----------FFGWFNRMFLSTTHGYERGVASILKHRAPYLLIYVVIVAGMIWMFTRIPT-----AFLPDED---QGVLFAQVQTPPG--------------SSAERTQVVVDSMREYLLEKESSSVSSVFTVTGFNFAG-----RGQSSGMAFIMLKPWEERPGGENSVFELAKRAQMHFFSFKDAMVFAFAPPSVLELGNATGFDLFLQDQAGVGHEVLLQARNKFLMLAAQNP--------------ALQRVRPNGM-----SDEPQYKLEIDDEKASALGVSLADINSTVSIAWGSSYVNDFIDRGRVKRVYLQGRPDARMNPDDLSKWYVRNDKGEMVPFNAFATGKWEYGSPKLERYNGVPA-MEILGEPAPG-LSSGDAMAAVEEIVK-----QLPKGVGYSWTGLSYEE----RLSG-QAPALYALSLLVVFLCLAALYESWSIPFSVMLVVPLGVIGALLATSM-----RGLS-NDV-FFQVGLLTTIGLSAKNAILIVEFAKELHEQGKGIVEAAIEACRMRLRPIVMTSLAFILGVVPLAISTGAGSGSQHAIGTGVIGGMVTATVL-AIFWVPLFYVAVSTL------------

General information: TITO was launched using: RESULT: Template: 3W9I.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 : 3151 -437972 -138.99 -679.03 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -138.99 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.291

(partial model without unconserved sides chains): PDB file : Tito_3W9I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W9I-query.scw PDB file : Tito_Scwrl_3W9I.pdb: