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



Input alignment information:
Query sequenceMLEIKNLNCVLNSHFSLQNINISLSYSERVAIVGESGSGKSSIANLVMRLNPRFKPHNGEILFETTNLLKESEAFMQHLRGNIIAYIAQDPLSSLNPLHKIGKQMSEAYFLHHKNASQVLLKEQVLNAMKQVQLDEKFLDRYPYELSGGQRQRVCIAMGIINAPKLLICDEPTTALDAQIQNQILDLLKQLSVEKNIALLFISHDLKAVKRLADRVYVLKKGEIVETNLTKELFNDPKHEYSKLLIQASNLPAKNLKALDETLLEVKDFSVYYLQKRFFRPSLKKPLIASVDFSLKAKENIGIIGESGSGKSSLALGLLKLALNSGEEKILGQSVGLLNSKA-FKPYRKILQMVFQDPYASLNPRLS-IQSILIEALRFAYPKASQQEWHHLAELCLEEVCLNPELLNFYAYELSGGERQRVAIARAIALKPRIILLDEPTSALDKSIQKSVLELLLNLQEKQDLSYLFISHDLDVIKAFCDRVLVVSEGKIVETGAIEEVFDNPKHAYTKRLLESRL
4YMS Chain:J ((16-236))----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VLKGVTLKVNKGEVVVIIGPSGSGKSTL-LRCINLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQ--HFNLFPHLTAIENITLAPVKVK--KMNKKEAEELAVDLLAKVGL-LDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLA-NEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTREFLSKIL


General information:
TITO was launched using:
RESULT:

Template: 4YMS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -175747 for 1738 contacts (-101.1/contact) +
2D Compatibility (PS) -23298 + (NN) -10183 + (LL) 21988
1D Compatibility (HY) -22000 + (ID) 3800
Total energy: -213040.0 ( -122.58 by residue)
QMean score : 0.568

(partial model without unconserved sides chains):
PDB file : Tito_4YMS.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4YMS-query.scw
PDB file : Tito_Scwrl_4YMS.pdb: