Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVLNVYCCFFQISDIQTMKINQTILKEFILVGFSVYPHVQTFLFVVFFCLYLLTLAGNLIIMGLTWVDRSLHTPMYLFLSALSFSETCYTLTIVPKMLEDLL-AKDRSISVTGCSLQMCFFLGLGGTNCIILTLMGYDRFLAICNPLRYPLL---MTNIVCGQLVASACTAGFFISLTETALIFRDSFCRPNLVKHFFCHMLAVIRLSCIDSNHTEFIITLISVSGLLGTLLLIILTDVFIISTVLRIPSA-------------------------------------------------------------------------------------------------------------------------------------------------------------------EGKQKAFTTCASHLTVVIIHFGFASIVYLKPEAS------GDDTLIAVPYTVITPFLSPIIFSLRNKDMKNAFRRMMGNTVALKK |
3PBL Chain:A ((41-472)) | ------------------------------------------YALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASIWNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTT-------GDPTVCSISN------------PDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC------ |
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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) -239694 for 1980 contacts (-121.1/contact) +
2D Compatibility (PS) -25363 + (NN) 5330 + (LL) 5912
1D Compatibility (HY) -15600 + (ID) 1750
Total energy: -271165.0 ( -136.95 by residue)
QMean score : 0.269
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