Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIEISLNKINKSYGFNPILKDFSFEIKSGERIALIGPNGCGKTTTLRIIMGEDIDSGSINIRKGARVGYLSQIPNKEKDNVKAKEVFYRGVKELIELENNINEFVKNMNSSEKSIKALDRLQEEFRI----KGGYQLNERINKIKNGFKLSDE----LLDTEYNNLSGGEKTIINLASLVLSEVDVLLLDEPTNHLDIET----LEWFEEYLNNYKGACLIVSHDRYFLDRVINKIVEIKNCKEEVYYGNYSYYLKESEKRFLLQFQSYKNQQKEITAIKEAIVRLKEWGTKSDNPMFFRRAAAMQKRLDRMELIDKPVEKSELKVNFVTTDRSGNEVLKIKNLDLNIGSRELLVSSNMEIYYQDRVCLMGRNGTGKTTLIKNIINNTHDNIILGTNIKIGYIPQEIRFDNEELTIYEHMRKIFVGSESELRSKLNRFYFGSEEIDKKLKNISGGEKVRIKLLELILLKSNFLILDEPTNHIDIDTREILEEALLDFDGTILFISHDRYFINKIATRIVRIENKKLVSYEGNYDSLKVKTVPVIENTIKETPQVINIKGSNRLNEFIKDAKIEEVTIGCSNTKVYKIRKKSKVFFLKVADHLSQESIRLDYLQDKILVPEKVFYEKYNGKSYILTKSLKGEMLCSDYYSNHPLEGINIIVEAFNNLYNIDYSDCVIDETIDTKIKRIEDRFSKINNEDINKKILNRFITKENILKYLKGNKPKQIIGFTHGDMSLPNIFACDGHFSGLLDVSECGLGDIYFDLVICEISIERNYGKEYIDKFYESLGIEKDEFKSEYYRILMSL---------------- 5DO7 Chain:A ((34-650)) -EPHSLGILHASYS-RQILKDVSLYVESGQIMCILGSSGSGKTTLLDAMSGRLGRAGTFL--------GEVYVNGRALRREQFQDCF---------------SYVLQSDTLLSSLTVRETLHYTALLAIRRGNPGSFQKKVEAVMAELSLSHVADRLIGNYSLGGISTGERRRVSIAAQLLQDPKVMLFDEPTTGLDCMTANQIVVLLVELARRNRIVVLTIHQPRSELFQLFDKIAILSF-GELIFCGT----PAEMLDFFNDCGYPCPEHSNPFDFYMDLTSVDTQ--SKEREIETSKRVQMIESAYKKSAICHKTLKNIERMKHLKTL---------------------PMVPFKT------------KDSPGVFSKLGVLLRRVTRNLV---------------------------RNKLAVITRLLQNLIMGLFLLFFVLRVRSNVLKGAIQDRVGLLYQFV---------------------------------------------------------------------------------GATPYTGMLNAVNLFPVLRAVSDQES------QDGLYQ----KWQMMLAYALHVLPFSVVATMIFSSVCYWTL---------------GLHPEVARFGYFSAA-LLAPHLIGE-FLTLVLLGIVQ--------------------------NPNIVNSVVALLSIAGVLVGS------GFLRNIQEMPIPFKIISYFTFQKYCSEILVVNEFYGL---NFTCAFTQGIQFIEKTCPGATSRFTMNFLILYSFIPALVILGIVVFKIRDHLIS

General information: TITO was launched using: RESULT: Template: 5DO7.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 : 2841 -41177 -14.49 -73.93 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -14.49 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.186

(partial model without unconserved sides chains): PDB file : Tito_5DO7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5do7-query.scw PDB file : Tito_Scwrl_5DO7.pdb: