Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MMNTDETIFALSTV--FGKSGVAVIRISGNHALKALNHFHVNK---DMKPRFATLVDLYDS-SDQLIDNGIAIYFPAPNSFTGEDVIELQVHGGKAVIKIVLEELSR-IFVMAKPGEFLLRAFLNGKFDLTQIEGIADLIDAETKMQAKQAIKQMSGELEKLYSSWRQRLIAVQSKIEAYIDFPEDVATEKNELEKINDEVQTLVQSIQEHLNDNRRGERLREGLHIVITGEPNVGKSTLFNFLARRDIAIVSEYVGTTRDILEAHIDIGGYPIILSDTAGIRESSDPVESEGISRAKKRSCEADLRIELFPFEQRYNINCNV-----ISSNTIYVLSKADDVINDHDI----KISDIDFLPVSILKGIGTEKLVSVIKEKVEEKFVYDRDVPVITRQRHRNCMQKAIEHLRRFNMN----NPIELVSEDLRLAASELGVVTGIINVEEVLDDIFNNFCVGK |
3GEH Chain:A ((4-462)) | -MAITGTIAAIATAIVPQQGSVGIVRVSGSQAIAIAQTLFDAPGKQVWESHRILYGYIRHPQTRQIVDEALLLLMKAPRSYTREDVVEFHCHGGIIAVQQVLQLCLESGARLAQPGEFTLRAFLNGRLDLTQAESIADLVGARSPQAAQTALAGLQGKLAHPIRQLRANCLDILAEIEARIDFEEDLPPL--DDEAIISDIENIAAEISQLLATKDKGELLRTGLKVAIVGRPNVGKSSLLNAWSQSDRAIVTDLPGTTRDVVESQLVVGGIPVQVLD--------------------QAANTADLVLLTIDAATGWTTGDQEIYEQVKHRPLILVMNKIDLVEKQLITSLEYPENITQIVHTAAAQKQGIDSLETAILEIVQTGKVQAADMDLAINQRQAAALTQAKMSLEQVQATITQQLPLDFWTIDLRGAIQALGEITGEEVTESVLDRIFSRFCIGK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GEH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -186119 for 3251 contacts (-57.2/contact) +
2D Compatibility (PS) -46339 + (NN) -20745 + (LL) 1036
1D Compatibility (HY) -20800 + (ID) 6600
Total energy: -279567.0 ( -85.99 by residue)
QMean score : 0.486
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