Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSAIQAAWPSGTECIAKYNFHGTAEQDLPFCKGDVLTIVAVTKDPNWYKAKNKVGR-EGIIPANYVQKREGVKAGTKLSLMPWFHGKITREQAERLLYPPET--GLFLVRESTNYPGDYTLCVS-----CDGKVEHYRI-MYHASKLSIDEEVYFENLMQLVEHYTSDADGLCTRLIKPKVMEGTVAAQDEFYRSGWALNMKELKLLQTIGKGEFGDVMLGDY-RGNKVAVKCIK-NDATAQAFLAEASVMTQLRHSNLVQLLGVIVEEKGGLYIVTEYMAKGSLVDYLRSRGRSVLGGDCLLKFSLDVCEAMEYLEGNNFVHRDLAARNVLVSEDNVAKVSDFGLTK--EASSTQDTGKLPVKWTAPEALREKKFSTKSDVWSFGILLWEIYSFGRVPYPRIPLKDVVPRVEKGYKMDAPDGCPPAVYEVMKNCWHLDAAMRPSFLQLREQLEHIKTHELHL |
| 3VS1 Chain:A ((11-444)) | -------------VVALYDYEAIHHEDLSFQKGD--QMVVLEESGEWWKARSLATRKEGYIPSNYVARVDS------LETEEWFFKGISRKDAERQLLAPGNMLGSFMIRDSETTKGSYSLSVRDYDPRQGDTVKHYKIR---------SPRSTFSTLQELVDHYKKGNDGLCQKLSVPCM---SSKPQKPWEKDAWEIPRESLKLEKKLGAGQFGEVWMATYNKHTKVAVKTMKPGSMSVEAFLAEANVMKTLQHDKLVKLHAVVTKEP--IYIITEFMAKGSLLDFLKSDEGSKQPLPKLIDFSAQIAEGMAFIEQRNYIHRDLRAANILVSASLVCKIADFGLARVI-----------PIKWTAPEAINFGSFTIKSDVWSFGILLMEIVTYGRIPYPGMSNPEVIRALERGYRMPRPENCPEELYNIMMRCWKNRPEERPTFEYIQSVLDDFYTATESQ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3VS1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -219138 for 3079 contacts (-71.2/contact) +
2D Compatibility (PS) -42202 + (NN) -12920 + (LL) 2700
1D Compatibility (HY) -37600 + (ID) 8300
Total energy: -317460.0 ( -103.10 by residue)
QMean score : 0.494
|
|
|