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



Input alignment information:
Query sequenceMETLLSFEKVYKDYPSGPSIIHALKETNFEAKKGELIAIVGPSGSGKSTLLSLAGALLTPTGGTISINGKSVGNLSSKEQTALRLEEIGFIFQAAHLVPYLHVKDQISF----IGKMAGKSAAELEKDTASLLSQLGISDRANFYPKDLSGGQKQRVAIARALINQPSVILADEPTASLDTERSREVVELIRNEVVQTSRTAIMVTHDERMLDLV-NHVYRMEDGILTQES
4YMS Chain:J ((7-217))---------VYKNFGS----LEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINN--GKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVD---LLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMK-QLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEE-


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) -111166 for 1604 contacts (-69.3/contact) +
2D Compatibility (PS) -22751 + (NN) -9357 + (LL) 1060
1D Compatibility (HY) -18800 + (ID) 4300
Total energy: -165314.0 ( -103.06 by residue)
QMean score : 0.440

(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: