Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTVRVGDPELVLDPYDYDFHEDPYPYYRRLRDEAPLYRNEERNFWAVSRHHDVLQGFRDSTALSNAYGVSLDPSSRTSEAYRVMSMLAMDDPAHLRMRTLVSKGFTPRRIRELEPQVLELARIHLDSALQTESFDFVAEFAGKLPMDVISELIGVPDTDRARIRALADAVLHREDGVADVPPPAMAASI-----ELMRYYADLIAEFRRRPANNLTSALLAAELDGDRLSDQEIMAFLFLMVIAGNETTTKLLANAVYWAAHHPGQLARVFADHSRIPMWVEETLRYDTSSQILARTVAHDLTLYDTTIPEGEVLLLLPGSANRDDRVFDDPDDYRIGREI-GCKLVSFGSGAHFCLGAHLARMEARVALGALLRRIRNYEVD-DDNVVRVHSSNVRGFAHLPISVQAR |
3ZKP Chain:A ((33-401)) | -------------------------WLGTMREKQPVWQDR-YGVWHVFRHADVQTVLRDTATFSSDPTRVIEGASPTPGAIH-----EIDPPEHRALRKVVSSAFTPRTISDLEPRIRDVTRSLLADA--GESFDLVDVLAFPLPVTIVAELLGLPPMDHEQFGDWSGALVDIQ--MDDPTDPALAERIADVLNPLTAYLKARCAERRADPGDDLISRLVLAEVDGRALDDEEAANFSTALLLAGHITTTVLLGNIVRTLDEHPAHWDAAAEDPGRIPAIVEEVLRYRPPFPQMQRTTTKATEVAGVPIPADVMVNTWVLSANRDSDAHDDPDRFDPSRKSGGAAQLSFGHGVHFCLGAPLARLENRVALEEIIARFGRLTVDRDDERLRHFEQIVLGTRHLPV----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ZKP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -229283 for 2939 contacts (-78.0/contact) +
2D Compatibility (PS) -39821 + (NN) -23905 + (LL) 2272
1D Compatibility (HY) -21200 + (ID) 6600
Total energy: -318537.0 ( -108.38 by residue)
QMean score : 0.487
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