Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTHVTLEDALSNVDLLEELPLPDQQPCIEPPPSSIMYQANFDTNFEDRNAFVTGIARYIEQATVHSSMNEMLEEGHEYAVMLYTWRSCSRAIPQVKCNEQPNRVEIYEKTVEVLEPEVTKLMKFMYFQRKAIERFCSEVKRLCHAERRKDFVSEAYLLTLGKFINMFAVLDELKNMKCSVKND--HSAYKRAAQFLRKMADPQSIQESQNLSMFLANHNRITQCLHQQLEVIPGYEELLADIVNICVDYYENKMYLTPSEKHMLLKVMGFGLYLMDGNVSNIYKLDAKKRINLSK--IDKFFKQLQVVPLFGDMQIELARYIKTSAHYEENKSKWTCTQS------------------SISPQ--YNICEQMVQIRDDHIRFISELARYSNSEVVTGSGLDSQKSDEEYRELFDLALRGLQLLSKWSAHVMEVYSWKLVHPTDKFCNKDCPGTAEEYERATRYN---YTSEEKFAFVEVIAMIKGLQVLMGRMESVFNQAIRNTIYAALQDFAQVTLREPLRQAVRKKKNVLISVLQAIRKTICDWEGGREPPNDPCLRGEKDPKGGFDIKVPRRAVGPSSTQACQWSPRALFHPTGGTQGRRGCRSLLYMVRTMLESLIADKSGSKKTLRSSLDGPIVLAIEDFHKQSFFFTHLLNISEALQQCCDLSQLWFREFFLELTMGRRIQFPIEMSMPWILTDHILETKEPSMMEYVLYPLDLYNDSAYYALTKFKKQFLYDEIEAEVNLCFDQFVYKLADQIFAYYKAMAGSVLLDKRFRAECKNYGVIIPYPPSNRYETLLKQRHVQLLGRSIDLNRLITQRISAAMYKSLDQAISRFESEDLTSIVELEWLL----EINRLTHRLLCKHMTLDSFDAMFREANHNVSAPYGRITLHVFWELNFDFLPNYCYNGSTNRFVRTAIPFTQEPQRDKPANVQPYYLYGSKPLNIAYSHIYSSYRNFVGPPHFKTICRLLGYQGIAVVMEELLKIVKSLLQGTILQYVKTLIEVMPKICRLPRHEYGSPGILEFFHHQLKDIIEYAELKTDVFQSLREVGNAILFCLLIEQALSQEEVCDLLHAAPFQNILPRVYIKEGERLEVRMKRLEAKYAPLHLVPLIERLGT--PQQIAIAREGDLLTKERLCCGL-SMFEVILTRIRSYLQDPIWRGPPPTNGVMHVDECVEFHRLWSAMQFVYCIPVGTNEFTAEQCFGDGLNWAGCSIIVLLGQQRRFDLFDFCYHLLKVQRQDGKDEIIKNVPLKKMADRIRKYQILNNEVFAILNKYMKSVETDSSTVEHVRCFQPPIHQSLATTC 4JSP Chain:A ((10-1174)) -------ERAAKCRAYAKALHYKELEFQKGPTPAILESLISINNKLQQPEAAAGVLEYAMKHFGELEIQATWYEKLHEWEDALVAYDKKMDT--------NKDDPELMLGRMRCLEAL----GEWGQLHQQCCEKW-----TLVNDETQAKMARMAAAAAWG-----LGQWDSMEEYTCMIPRDTHDGAFYRAVLALHQ----------DLFSLAQQCIDKARDLLDAELTAMAGESY--------------SRAYGAMVSCHMLSELEEVIQYKLVPERREIIRQIWWERLQGCQRIVEDWQKILMVRSLVVSPHEDMRTWLKYASLCGKSGRLALAHKTLVLLLGVDPSRQLDHPLPTVHPQVTYAYMKNMWK-SARKIDAFQHMQHFVQTMQQQAQHAIATEDQQHKQELHKLMARCFLKLGEWQLNLQGINE------------STIPKVLQYYSAATEHDRSWYKAWHAWAVMNFEAVLHYKHQNQARDE---KKKVTEDLSKTLLMYTVPAVQGFFRSISLSRGNNLQDTLRVL--TLWFDYGHWPDVNEALVEGVKAIQIDTWLQVIPQLIARIDTP--RPLVGRLIHQLLTDIGRYHPQALIYPLTVASKS--------TTTARHNAANKILKNMCEHSNT--LVQQAMMVSEELIRVAILWHEMWHEGLEEASRLYFGERNVKGMFEVLEPLHAMMERGPQT-----------------------------LKETSFNQAYGRDLMEAQEWCRKYMKS------------------------------------GNVKDLTQAWDLYYHVFRRISKQLPQLTSLELQYV-SPKLLMCRDLELAVPGTYDPNQPIIRIQSIAPSLQVITSKQRPRKLTLMGSNGH---------EFVFLLKGHEDLRQDERVMQLFGLVNTLLANDPTSLR-------KNLSIQRYAVIP----------LSTNSGLIGWVPHCDTLHALIRDYREKKKILLNIEHRIMLRMAPDYDHLT-------------LMQKVEVFEHAVNNT-----------------------AGDDLAKLLWLKS----------PSSEVWFDRRTNYTRSLAVMSMVGYILGLGDRHPSNLMLDR----LSGKILHIDFGDCFEVAMTR-------EKFPEKIPFRLTRMLTNAMEVTGLD-----------GNYRITCHTVM-EVLREHKDSVMAVLEAFVYDPLLNWRLMDTNTALNKKAIQIINRVRDKLTGRDFSHDDTLD--VPTQVELLIKQATSHENLCQCYIGWCPFW--------

General information: TITO was launched using: RESULT: Template: 4JSP.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 : 4639 2116 0.46 2.07 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 0.46 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.249

(partial model without unconserved sides chains): PDB file : Tito_4JSP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JSP-query.scw PDB file : Tito_Scwrl_4JSP.pdb: