Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMVELNLNHIYKKYPSASHYSVEDFDLDIKDKEFIVFVGPSGCGKSTTLRMIAGLEDISEGELKIDGEVVNDKSPKDRDIAMVFQNYALYPHMTVYDNMAFGLKLRKFSKQEIDKRVREAAANIGLTEFLERKPADLSGGQRQRVAMGRAIVRDAKVFLMDEPLSNLDAKLRVSMRAEIAKIHQRIGSTTIYVTHDQTEAMTLADRIVIMSATKNPDGDGTIGKIEQVGSPQELYNLPANKFVAGFIGSPSMNFFKVKVENGMIISEDGLRIAIPEGQEKLLESRGYKGKELIFGIRPEDISSNLLVQDTYPNANVEAEVLVSELLGSETMLYVKLGQT---EFASRVEARDFHNPGEKVNLTFNVAKGHFFDADTEQAIR
2IT1 Chain:B ((2-357))-VEIKLENIVKKF--GNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIRE----------GEILQVGTPDEVYYKPKYKFVGGFLGNPPMNFVEAKVEDGKLVITEKSKLPIPKQYVEIVKETGI--TEVIIGFRPHDAE---IVKGE--GEGIVGEVYSFEPLGREQIVTVSVNDSIVKVFAPEGEHFSF---GEKVTIKVKEELLVLFDKKTEKALE


General information:
TITO was launched using:
RESULT:

Template: 2IT1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -185386 for 2875 contacts (-64.5/contact) +
2D Compatibility (PS) -38278 + (NN) -13210 + (LL) -568
1D Compatibility (HY) -35200 + (ID) 7900
Total energy: -280542.0 ( -97.58 by residue)
QMean score : 0.494

(partial model without unconserved sides chains):
PDB file : Tito_2IT1.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2IT1-query.scw
PDB file : Tito_Scwrl_2IT1.pdb: