Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGSKSAFNSLDPALLYKGDLLRRMLFTLIALICYRLGTYVPIPGINLDIINDIFPKEGAGIFGVFNLFSGGALARMTILVLNVMPYIVASIVMQLLSSAVKGINEVKNDGELGRRRMNSYIRYMTIVFCIFQSVTILIGLERMNREGTLVVIEPGVMFRTVGIFSLLGGTMFLIWLGEQISASGIGNGISLIIFTGIISELHNAFSFLLTLNKNGSMSLLIILFVFVLFFLLLLLIIFVESSYRKVTVQYPKKQF-KRLHSDDFTYIPLKINLSGVIPTIFANAILLTPVSIANFYKGHAFSDFILN---YFMANKVVYIAAYLALIVFFNFFYTNFIFNPEENADFLKKNGGFIPGRRPGKHTSDYLQDIVFKLTFIGSAYLVVICTVPEVMRYYYDMPFIFGGTSLLIIVNVTTDTIMQIQSYIFSNRYDSWIKKYESKTKKLR |
5ABB Chain:A ((17-439)) | -----------------GELKRRLLFVIGALIVFRIGSFIPIPGIDAAVLAKLLEQQRGTIIEMFNMFSGGALSRASIFALGIMPYISASIIIQLLTVVHPTLAEIKKEGESGRRKISQYTRYGTLVLAIFQSIGIATGLPNMPGMQGLV-INPGFAFYFTAVVSLVTGTMFLMWLGEQITERGIGNGISIIIFAGIVAGLPPAIAHTIEQARQGDLHFLVLLLVAVLVFAVTFFVVFVERGQRRIVVNYAKRQQGRRVYAAQSTHLPLKVNMAGVIPAIFASSIILFPATIASWFGGGTGWNWLTTISLYLQPGQPLYVLLYASAIIFFCFFYTALVFNPRETADNLKKSGAFVPGIRPGEQTAKYIDKVMTRLTLVGALYITFICLIPEFMRDAMKVPFYFGGTSLLIVVVVIMDFMAQVQTLMMSSQYESALKKANLKGYGR- |
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General information:
TITO was launched using:
| RESULT:
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Template: 5ABB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -310767 for 2932 contacts (-106.0/contact) +
2D Compatibility (PS) -43163 + (NN) -4133 + (LL) 1068
1D Compatibility (HY) -51600 + (ID) 1600
Total energy: -410195.0 ( -139.90 by residue)
QMean score : 0.141
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