Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKELKVTDLKKTYGEKDLFDQISFLVHEKDRIGLIGTNGTGKTSLLNIIAGIDSSDGDRQTVFYPTDY--RIGYLSQAAEFS-DELTVLQAVFQGNSPLIQTVRAYEEALIELGENGEDPDVQKRYAKAEEQMNKEDAWTTDTNAKIILQKLGIS-ELDKKISTLSGGQKKRVSLAQVLIDEPDLLLLDEPTNHLDYEAIEWLENYLKQY---RGALLMVTHDRYFLDRVANRIFELSFGKLYEYKGNYEAYVLEKAERDRVEVEQEEKRKRLYKQELAWMRAGVQARGTKQQARINRFEDLKENLYQVNQEDDLELNLATQRLGKKVLEIKDGSYRINDQTLLEHLDLLIQSRERLGITGKNGAGKSTLLNILAGRIPLDSGTMSIGETVHLAYYTQENEEMAPDKRMIAYLQEAAEEAKTADGSQIGVAELLERFLFPRFMHGTLIGKLSGGEKRRLFLLKLLIQQPNVLLLDEPTNDLDIATLTILEDYFRSF----PGAVITVSHDRYFLDKVADKLLVFQGNGKQELYYGNMSSYLLKQKETQQPAEKAKPKIQSKEPAEKKKLSYMEQKEWETIEDEIAELEEKISLLQEEMNHQGDNFTRLQELQNDVSETEAQLEEKMARWEYLSEWVED 4CRM Chain:P ((99-559)) -------------------------TPRPGQVLGLVGTNGIGKSTALKILAGKQKPNLG--RFDDPPEWQEIIKYFRGSELQNYFTKMLEDDIKAIIKP-Q-----YVDNIPR--------AIKGPVQKVGELL-KLRMEKSPEDVKRYIKILQLENVLKRDIEKLSGGELQRFAIGMSCVQEADVYMFDEPSSYLDVKQRLNAAQIIRSLLAPTKYVICVEHDLSVLDYLSDFVCIIYGVPSVYGVVTLPASVR--EG------------------INIFLDGHIPAENLRF--RTEALQFRIADATED---------LQ-NDSASRAFSYPSLKKTQ-GDFVLNVEEGEFSDSEILVMMGENGTGKTTLIKLLAGALKPDEGQDIPK--LNVSMKPQKIA-PKFPGTVRQLFFKKIRGQ---FLNPQFQTDVVKPLRIDD-IIDQEVQHLSGGELQRVAIVLALGIPADIYLIDEPSAYLDSEQRIICSKVIRRFILHNKKTAFIVEHDFIMATYLADKVIVFEGIPSKNAHARAPESLLT------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4CRM.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain P - contact count / total energy / energy per contact / energy per residue : 2286 30595 13.38 67.99 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain P : 0.68 3D Compatibility (PKB) : 13.38 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.303

(partial model without unconserved sides chains): PDB file : Tito_4CRM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CRM-query.scw PDB file : Tito_Scwrl_4CRM.pdb: