Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSSGAKEGGGGSPAYHLPHPHPHPPQHAQYVGPYRLEKTLGKGQTGLVKLGVHCITGQKVAIKIVNREKLSES----VLMKVEREIAILKLIEHPHVLKLHDVYENKKYLYLVLEHVSGGELFDYLVKKGRLTPKEARKFFRQIVSALDFCHSYSICHRDLKPENLLLDEKNN---IRIADFGM-ASLQVGDSLLETSCGSPHYACPEVIKGEKYDGRRADMWSCGVILFALLVGALPFDDDNLRQLLEKVKRGVFHMPHFIPPD-------CQSLLRGMIEVEPEKRLSLEQIQKHPW---YLGGKHEPDPCLEPAPGRRVAMRSLPSNGELDPDVLESMAS-LGCFRDRERLHRELRSEEENQEKMIYYLLLDRKERYPSCEDQDLPPRNDVDPPRKRVDSPMLSRHGKRRPERKSMEVLSITDAGGGGSPVPTRRALEMAQHSQRSRSVSGASTGLSSSPLSSPRSPVFSFSPEPGAGDEARGGGSPTSKTQTLPSRGPRGGGAGEQPPPPSARSTPLPGPPGSPRSSGGTPLHSPLHTPRASPTGTPGTTPPPSPGGGVGGAAWRSRLNSIRNSFLGSPRFHRRKMQVPTAEEMSSLTPESSPELAKRSWFGNFISLDKEEQIFLVLKDKPLSSIKADIVHAFLSIPSLSHSVLSQTSFRAEYKASGGPSVFQKPVRFQVDISSSEGPEPSPRRDGSGGGGIYSVTFTLISGPSRRFKRVVETIQAQLLSTHDQPSVQALADEKNGAQTRPAGAPPRSLQPPPGRPDPELSSSPRRGPPKDKKLLATNGTPLP |
3HZT Chain:A ((6-335)) | ---------------------------------YQRVKKLGSGAYGEVLLCKDKLTGAERAIKIIKKSSVTTTSNSGALLD---EVAVLKQLDHPNIMKLYEFFEDKRNYYLVMEVYRGGELFDEIILRQKFSEVDAAVIMKQVLSGTTYLHKHNIVHRDLKPENLLLESKSRDALIKIVDFGLSAHFEVG---------TAYYIAPEVLR-KKYD-EKCDVWSCGVILYILLCGYPPFGGQTDQEILKRVEKGKF---SFDPPDWTQVSDEAKQLVKLMLTYEPSKRISAEEALNHPWIVKFCSQ-----VGKHALTGALGNMKKFQSSQKLAQAAMLFMGSKLTTLEETKELTQIFRQLDNNGDGQ-----LDRKE----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3HZT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -162338 for 2180 contacts (-74.5/contact) +
2D Compatibility (PS) -31971 + (NN) -18570 + (LL) 9456
1D Compatibility (HY) -25200 + (ID) 5700
Total energy: -234323.0 ( -107.49 by residue)
QMean score : 0.464
|
|
|