Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGAEFLVGRSGSGKTKLIINSIQDELRRAP-FGKPIIFLVPDQMTFL-MEYELAKTPDMGGMIRAQVFSFSRLAWRVLQHTGGM-----SRPFLTSTGVQMLLRKLIEEHKQEFKVYQKASDKSGFTAQVERMLTEFKRYCLEPEDIRRMAESGTASEYRGERVLSEKLHDLSILYQQMEKSLAD-QYLHSEDYLTLLAEHIPLAE------DIKGAHIYVDGFYQFTPQEFRVLEQLMVHAEHITFSLTADKPSYEREPHELELFRMTGKTYYRLHQKAKEL-NLDITYKELSGTE-RHTKTPELAHLEAQYEARPAI-------PYAEKQEALTVMQAANRRAELEGIAREIHALVREKGYRYKDVAILARQPEDYKDMVKEVFADYEIPYFIDGKASMLNHPLIEFIRSSLDVLKGNWRYEAVFRCVKTELLFPLNEPKAKVREQVDQLENYCIAYGIKGDRWTKGDRFQYRRFVSLDDDFAQTDQEIEMENMLNDTRDWIVPPLFQLQKRMKKAKTVQEKAEALYRYLEETDVPLKLDQERQRAEDDGRIIEAQQHQQAWDAVIQLLEEFVEMMGDDEISLDLFQQMIEAGAESL----TFSLIPPALDQVFVGNMDLSRMYGTSCTFVLGANDGVLPARPDENGVLSDDDREWLKTIGVELSSGGRERLLDEHFLIYMAFSSPSDRLYVSYPIADAEGK---TLLPSMIVKRLEELFPHHKERLLTNEPEQVSDEEQLMYVVNKSVAQSFTASQLRLWTREYDISDVWWSTYNVLMSEQDRLQSKKLFSSLFFRNEVKQLERSVSRQLYGERIQGSVSRMETFNACPFSHFASHGLHLKERQFFKLEAPDIGQLFHSSLKLISDRLREQKLDWRDLTKEQCELFSYDAVERLAPKLQKEILLSSNRHYYVKEKLQKIVTRVSGILSEHAKASGFVPIGLELGFGGKGPLPPLTFQLKNGCTMELVGRIDRVDKAESSKGLLLRIVDYKSSDKGLDLAEVYYGLALQMLTYLDLSITHSADWLGMRATPAGVLYFHIHDPMIQSNLPLGLDEIEQEIFKKFKMKGLLLGDQEVVRLMDTTLQEGRSNIINAGLKKDGSLRSDSAAVGEKEFDLLTKHVRRTFQEAGEQITDGRVSIEPYKMKNKTPCTYCAFKSVCQFDESLEENEYRPLKAEKDKTILEWIKKEADGNEHS 4C2U Chain:A ((29-653)) ----LVIAGAGSGKTRTLIYRIAHLIGHYGVHPGEILAVTFTNKAAAEMRERAGHLV--PGAGDLWMSTFHSAGVRILRTYGEHIGLRRGFVIYDDDDQLDIIKEVMGSIPG-----------ETQPRVIRGIIDRAKSNLWTPDDLDRSREPF---------ISGLPRDAAAEAYRRYEVRKKGQNAIDFGDLITETVRLFKEVPGVLDKVQNKAKFIHVDEYQDTNRAQYELTRLLASRDR--NLLVVGDPDQ--------SIYKFRGADIQNILDFQKDYPDAKV--YMLEH-NYRS--SARVLEAANKLIENNTERLDKTLKPVKEAGQPVTFHRATDHRAEGDYVADWLTRLHG-EGRAWSEMAILYRT-NAQSRVIEESLRRVQIPARIVGGVGFYDRREIRDILAYARLALNPADDVALRRIIGRPRR--G-----IGDTALQKLMEWARTHHTS--VLTAC--ANAAEQNIL----------DRGAHKATEF----AGLMEAM----SEAADNYEPAAFLRFVMETSGYLDLLRQE---------GQEGQVRLENLEELVSAAEEWSQDEANVGGSIADFLDDAALLSSVDDMRTKAENKGAPEDAVTLMTLHNAKGLEFPVVFIVGVEQGLLPSKGAI--------------------AEGPSGIEEERRLFYVGITRAMERLLMTAAQNRMQFGKTNAAEDSAFLEDIEGLFD-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4C2U.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 : 3092 -261920 -84.71 -442.43 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -84.71 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.385

(partial model without unconserved sides chains): PDB file : Tito_4C2U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4C2U-query.scw PDB file : Tito_Scwrl_4C2U.pdb: