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



Input alignment information:
Query sequenceMSAIQAAWPSGTECIAKYNFHGTAEQDLPFCKGDVLTIVAVTKDPNWYKAKNKVGREGIIPANYVQKREGVKAGTKLSLMPWFHGKITREQAERLLYPPETGLFLVRESTNYPGDYTLCVSCDGKVEHYRIMYHASKLSIDEEVYFENLMQLVEHYTSDADGLCTRLIKPKVMEGTVAAQDEFYRSGWALNMKELKLLQTIGKGEFGDVMLGDYRGNK--VAVKCIKNDATAQAFLAEASVMTQLRHSNLVQLLGVIVEEKGGLYIVTEYMAKGSLVDYLRSRGRSVLGGDCLLKFSLDVCEAMEYLEGNNFVHRDLAARNVLVSEDNVAKVSDFGLTKEASSTQDTGKLPVKWTAPEALREKKFSTKSDVWSFGILLWEIYSFGRVPYPRIPLKDVVPRVEKGYKMDAPDGCPPAVYEVMKNCWHLDAAMRPSFLQLREQLEHIKTHELHL
3PYY Chain:B ((21-280))-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------WEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTL-----VEEFLKEAAVMKEIKHPNLVQLLGVCTREPP-FYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADF-----------GAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSIS


General information:
TITO was launched using:
RESULT:

Template: 3PYY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -161015 for 1833 contacts (-87.8/contact) +
2D Compatibility (PS) -25205 + (NN) -11110 + (LL) 12480
1D Compatibility (HY) -28800 + (ID) 5650
Total energy: -219300.0 ( -119.64 by residue)
QMean score : 0.523

(partial model without unconserved sides chains):
PDB file : Tito_3PYY.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3PYY-query.scw
PDB file : Tito_Scwrl_3PYY.pdb: