Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNGLPMNLIWFRCDLRTTDNSALLAA-ADGRPCLALYLLSPAQWREHDDAPCKVDFWLRNLGELQR--QLAALNIPLLVRDCGHWRQAPEVIGRLCRELGVGAVHVNQEYGVNEERRDQAVGQRLREQGVAFHSHLDQLFFAPGSVLTRTGGYFQVFSQFRKVCHERLYQALPGVRPRPQPQPPHALASDPLPDAVPAFPRPADSLRRL---WPAG------EEVAQERLRDFADQHLADYHERRDFPALPGTSQLSPYLAAGVLSPRQCLDAALVANRGEFSG-GQQGAATWINELLWREFYKHILVGYPRVSRHRPFREETEALRWRQAPAELEAWQQGRTGIPIIDAAMRQLLATGWMHNRLRMVVAMFLSKNLLIDWREGERWFMRHLIDGDLAANNGGWQWSASTGTDAVPYFRLFNPLSQSERFDPRGEFIRHWLPELAGLERKAIHDPSSLGLFAGVDYPRPMVDLKASRERALAAFRNLPPRDGRA |
1QNF Chain:A ((6-471)) | -------LFWHRRDLRLSDNIGLAAARAQSAQLIGLFCLDPQILQSADMAPARVAYLQGCLQELQQRYQQAGSRLLLLQGDPQH------LIPQLAQQLQAEAVYWNQDIEPYGRDRDGQVAAALKTAGIRAVQLWDQLLHSPDQILSGSGNPYSVYGPFWKN-----WQAQPKPTPVATPTELVDLSPEQLTAIAPLLLSELPTLKQLGFDWDGGFPVEPGETAAIARLQEFCDRAIADYDPQRNFPAEAGTSGLSPALKFGAIGIRQAWQAASAAHALSRSDEARNSIRVWQQELAWREFYQHALYHFPSLA-DGPYRSLWQQFPWENREALFTAWTQAQTGYPIVDAAMRQLTETGWMHNRCRMIVASFLTKDLIIDWRRGEQFFMQHLVDGDLAANNGGWQWSASSGMDPKP-LRIFNPASQAKKFDATATYIKRWLPELRHVHPKDLIS-GEITPIERRGYPAPIVNHNLRQKQFKALYNQL------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1QNF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -185669 for 3732 contacts (-49.8/contact) +
2D Compatibility (PS) -48700 + (NN) -26434 + (LL) 952
1D Compatibility (HY) -29600 + (ID) 9150
Total energy: -298601.0 ( -80.01 by residue)
QMean score : 0.500
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