Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MASRYVAVGMI-LSQTVVGVLGSFSVLLHYLSFYCTGCRL-RSTDLIVKHLIVANFLALRCKGVPQTMAAF--GVRYFLNALGCKLVFYLHRVGRGVSIGTTCLLSV--FQVITVSSRKSRWAKLKEKAPKHVGFSVLLCWIVCMLVNIIFPMYVTGKWNYTNITVNEDLGYCSGGGNNKIAQTLRAMLLSFPD-VLCLGLMLWVSSSMVCILHRHKQRVQHIDR--------------------------------------------------------------------------------------------------------------------------------------S----------------DLSPRASPENRATQSILILVSTFVSSYTLSCLFQVCMALLDN--PNSLLVNTSALMSVCFPTLSPFVLMSCDPSVYRFCFAWKR |
3PBL Chain:A ((41-471)) | -------YALSYCALILAIVFGNGLVCMA----VLKERALQTTTNYLVVSLAVADLLVATLV-MPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASIWNLCAISIDRYTAVV-MPVHYQ-HGTGQSSCRRVALMITAVWVLAFAVSCPLL-FGFNT--------TGDPTVCSISNPD------FVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILS |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PBL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -184910 for 1994 contacts (-92.7/contact) +
2D Compatibility (PS) -27503 + (NN) -4145 + (LL) 2956
1D Compatibility (HY) -22400 + (ID) 2050
Total energy: -238052.0 ( -119.38 by residue)
QMean score : ?
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