Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTQSDAYLSLNAKTRFRDRTGNYHFASDKEAVEQYMIEHVEPNTMAFTSLIEKLDYLVSNNYYESDLLKQYNLEFICQIFEHAYAKKFAFLNFMGALKFYNAYALKTEDNRYYL-------EHYEDRVVMNALFLAAGDEKAAYDLVDDMLANRFQPATPTFLNAGKKRRGEYISCYLLRIEDN-MESISRAISTSLQLSKRGGGVALCLTNLREFGAPIKGIKNQATGIVPVMKLLEDSFSYANQLG-QRQGAGAVYLHAHHPEVLTFLDTKRENADEKIRIKSLSLGLVIPDITFELAKANKDMALFSPYDIERVYGKPMSDISITEEYETLLAN----ADIRKTFISARKLFQTIAELHFESGYPYILFEDTVNAKNPHKKEGRIVMSNLCSEIAQVNTASQFSEDLTFTKVGHDVCCNLGS--INIARAMDQAADFEKLIANSIRALDRVSRTSDLD--SAPSIKKGNAANHAVGLGAMNLHGFLATNHIYYDSQEAIDFTDCFFYAMAYYAFKASNHLAKEKGTFEGFSESSYADGSYFYQYTEQNFEPKTQRVKNLLAEYGLTLPSQEDWRKLVQSIKEIGLANAHLLAVAPTGSISYLSSCTPSLQPVVSPVEVRKEGALGRVYVPAYKIDADNYVYYK-----------------KGAYEVGPEAIINIAAAAQKHIDQAISLTLFMTDQATTRDLNKAYIQAFKQKCAS-IYYVRVRQDILEGSESYDDDMLDDFTSSDLEDCQACMI |
2WGH Chain:A ((70-669)) | ---------------------------------------------------------------------------------------------------YNYFGFKTLERSYLLKINGKVAERPQHMLMRVSVGIHKEDIDAAIETYNLLSERWFTHASPTLFNAGTNR-PQLSSCFLLSMKDDSIEGIYDTLKQCALISKSAGGIGVAVSCIRATGSYIAGTNGNSNGLVPMLRVYNNTARYVDQGGNKRPGAFAIYLEPWHLDIFEFLDLKKNTGKEEQRARDLFFALWIPDLFMKRVETNQDWSLMCPNEC------PGLDEVWGEEFEKLYASYEKQGRVRKV-VKAQQLWYAIIESQTETGTPYMLYKDSCNRKSNQQNLGTIKCSNLCTEIVEYTSKDEVA------------VCNLASLALNMYVTSEHTYDFKKLAEVTKVVVRNLNKIIDINYYPVPEACLSNKRHRPIGIGVQGLADAFILMRYPFESAEAQLLNKQIFETIYYGALEASCDLAKEQGPYETYEGSPVSKG--ILQYDMWNVTPT----------------DLWDWKVLKEKIAKYGIRNSLLIAPMPTASTAQILGNNESIEPYTSNIY-------QIVNPHLLKDLTERGL---GSIQSIPEIPDDLKQLYKTVWEISQKTVLKMAAERGAFIDQSQSLNIHIAEPNYGK-LTSMHFYGWKQGLKTGMYYLRTR------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2WGH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -236975 for 4911 contacts (-48.3/contact) +
2D Compatibility (PS) -56973 + (NN) -16543 + (LL) 13036
1D Compatibility (HY) -36400 + (ID) 7850
Total energy: -341705.0 ( -69.58 by residue)
QMean score : 0.385
|
|
|