Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTHVTLEDALSNVDLLEELPLPDQQPCIEPPPSSIMYQANFDTNFEDRNAFVTGIARYIEQATVHSSMNEMLEEGHEYAVMLYTWRSCSRAIPQVKCNEQPNRVEIYEKTVEVLEPEVTKLMKFMYFQRKAI--ERFCSEVKRLCHAERRKDFVSEAYLLTLGKFINM-----FAVLDELKNMKCSVKNDHSAYKRAAQFLRKMA-DPQSIQESQNLSMFLANHNRITQCL------HQQLEVIPGYEELLADIVNICVDYYENKMYLTPSE-----KHMLLKVMGFGLYLMDGNVSNIYKLDAKKRINLS---KIDKFFKQLQVVPLFGDMQIELARYIKTSAHYEENKSKWTCTQSSISPQYNICEQMVQIRDDHIRFISELARYSNSEVVTGSGLDSQKSDEEYRELFDLALRGLQLLSKWSAHVMEVYSWKLVHPTDKFCNKDCPGTAEEYERATRYNYTSEEKFAFVEVIAMIKGLQVLMGRMESVFNQAIRNTIYAALQDFAQVTLREPLRQAVRKKKNVLISVLQAIRKTICDWEGGREPPNDPCLRGEKDPKGGFDIKVPRRAVGPSSTQACQWSPRALFHPTGGTQGRRGCRSLLYMVRTMLESLIADKSGSKKTLRSSLDGPIVLAIEDFHKQSFFFTHLLNISEALQQCCDLSQLWFREFFLELTM--GRRIQFPIEMSMPWILTDHILETKEPSMMEYVLYPLDLYNDSAYYALTKFKKQFLYDEIEAEVNLCFDQFVYKLADQIFAYYKAMAGSVLLDKRFRAECKNYGVIIPYPPSNRYETLLKQRHVQLLGRSIDLNRLIT--QRISAAMYKSLDQAISRFESEDLTSIVELEWLLEINRLTHRLLCKHMTLDSFDAMFREANHNVSAPYGRITLHVFWELN---------FDFLPNYCYNGSTNRFVRTAIPFTQEPQRDKPANVQPYYLYGSKPLNIAYSHIYSSYRNFVGPPHFKTICRLLGYQGIAVVMEELLKIVKSLLQGTILQYVKTLIEVMPKICRLPRHEYGSPGILEFFHHQLKDIIEYAELKTDVFQSLREVGNAILFCLLIEQALSQEEVCDLLHAAPFQNILPRVYIKEGERL----EVRMKRLEAKYAP------LHLVPLIER------------LGTPQQIAIAREGDLLTKERLCCGLSMFEVILTRIRSYLQDPIWRGPPPTNGVMHVDECVEFHRLWSAMQFVYCIPVGTNEFTAEQCFGDGLNW-AGCSIIVLLGQQRRFDLFDFCYHLLKVQRQDGKDEIIKNVPLKKMADRIRKYQILNNEVFAILNKYMKSVETDSSTV-----EHVRCFQPPIHQSLATTC 5WUA Chain:E ((27-1581)) ------FVDALNVVPHVFLLFITFPILFIGWGSSTWLHFPGHNLRWILTFILLFVLVCEIAEGILSDGVTESRHLHLYMPAGMAFMAAITSVVYYHNIETSNFPKLLIALLIYWTLAFITKTIKFVKFYDHAIGFSQLRFCLTGLLVILYGMLLLVEVNVIRVRRYIFFKTPREVKPPEDLQDLNLLSKGTYWWMNAFIKTAHKKPIDLRAIGKLPIAMRALTNYQRLCVAFDAQRAIWRALCHAFGRRLILSSTFRILADLLGFAGPLCIFGIVDHNAYVLAVLLFLALLLQRTFLQASYYVAIETGINLRGAIQTKIYNKIMHLSTSNLSMGEMTAGQICNLVAIDTNQLMWFFFLCPNLWAMPVQIIVGVILLYYILGVSAL--IGAAVIILLAPVQYFVATKLSQAQRSTLEHSNERLKQTNEMLRGMKLLKLYAWESIFCSRVEVTRRKEMTSLRAFAVYTSISIFMNTAIPIAAVLITFVGHVSFFKESDLSPSVAFASLSLFHILVTPLFLLSSVVRSTVKALVSVKKLSEFLSSAEIREDADNFCVQII----GGFFTWTPDGI--PTLSNITIRIPRGQLTMIVGQVGCGKSSLLLATLGEMQKVSGAVFWNSNLPVAYASQKPWLLNATVEENITFESPFNKQRYKMVIEACSLQPDIDILPHGDQTQIGERGINLSGGQRQRISVARALYQQTNVVFLDDPFSALDVHLSDHLMQAGILE---LLRDDKRTVVLVTHKLQYLPHAD---WIIAMKDGTIQREGTLKDFQRSEC----QLFEHWKTLWRACTKYLSSAGILLLSLLVFSQLLKHMVLVAIDYWLAKWTDSLDQSVYAMVFTLLCSLGIVLCLVTSVTVEWTGLKVAKRLHRSLLNRIILAPMRFFETTPLGSILNRFSSDCNTIDQHIPSTLECLSRSTLLCVSALTVISYVTPVFLVALLPLAVVCYFIQKYFR--VASRDLQQLDDTTQLPLLSHFAETVEGLTTIRAFRYEARFQQKLLEYTDSNNIASLFLTAANRWLEVRMEYIGACVVLIAAATSISNSLHRELSAGLVGLGLTYALMVSNYLNWMVRNLADMEIQLGAVKRIHALLKTEKIQIQNLSVRYDSSLKPVLKHVNALISPGQKIGICGRTGSGKSSFSLAFFRMVDMFEGRIIIDGIDIAKLPLHTLRSRLS-IILQDPVLFSGTIRFNLDPEKKCSDSTLWEALEIAQLKLVVKALPGGLDGENFSQGQRQLFCLARAFVRKTSIFIMDEATASIDMATENILQKVVMTAFADR--TVVTIAHRVHTILSADLVMVLKRGAILEFDKPETLLSQKDSVFASFVRAD

General information: TITO was launched using: RESULT: Template: 5WUA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 5666 -253069 -44.66 -202.62 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain E : 0.63 3D Compatibility (PKB) : -44.66 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.094

(partial model without unconserved sides chains): PDB file : Tito_5WUA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5WUA-query.scw PDB file : Tito_Scwrl_5WUA.pdb: