Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VKLAKKWRDWYIESGKKYLFPLLLVCFAVIAYFLVCQMTKPESYNVKLFQVAEKTIRSPQTVEDTEKTKEERTKASDAVEDVYVYNRETGQNRVALIQSLFAYVNEVNAEAQEKDTKNKEKAKKENKPAPAPTSTEDKLKNLKDKLSSNVSEKITSNISDEVFTTLIEAKSKDFNVMEDVVTTEVEKSMENKIRDENLNSVKIRARDDIELSAIPAYYKNVSKALVSYAIVPNEVYDEEQTDARRKEAAQSVVPVKILQGQVIVQEGQIVDRETYRQLKMLHLLDQKMPVKQYAGFAIFIIALAAILFLYTKKQTQPKAKKMQTMLIFSSVYLVSLFMLFIILFLETQNIANIAFLFPAAFAPMILKILLNEKYAFLSVIFIAVTSLLTFQNDATSGITIFILLSGATSVVMLRDYSRRSAIMLSGFMVGLINMIYVLLLLLINNSTLLQVSTLMALGYAFLGGFGAFILGVGVIPLFETIFGLLTTSRLVELANPNHPLLKKILMKAPGTYHHSMMVANLAEACADKIGA-NSLLVRVGCFYHDIGKTLRPPYFVENQLQGIN--PHDRLT--PEQSRDIILSHTKDGAEILKENHMPQPIIDIALQHHGTTLLKYFYFKAKETNPDVKEADYRYSGPKPQTKEIAIINISDSVEAAVRSSTEPTMAKITEIIDGIIKD---------RFLDGQFTECDITIQEIKIIRDTLIATLNGIYHQRIQYPDDKD |
3HC1 Chain:A ((116-290)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RSTLWAHSLGVARIAKLIAERTGFLNPVNVYVAGLLHDVGEVFINFFRGKEFSQVVTLVDEEKITFGQAEERLFGTSHCEVGFALAKRWSLNEFICDTILYHHDI----EAVPY-------------------KQAAIVAMVAFADEYCTLRRLGF--EGHKPVDSVRTLLENHPSWGVIRRSLGGSDFDE---------KLIVAELDS---------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HC1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -33538 for 1207 contacts (-27.8/contact) +
2D Compatibility (PS) -16441 + (NN) 3190 + (LL) 47220
1D Compatibility (HY) -5200 + (ID) 1600
Total energy: -6369.0 ( -5.28 by residue)
QMean score : 0.178
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