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



Input alignment information:
Query sequenceMTFKSGFVAILGRPNVGKSTFLNHVMGQKIAIMSDKAQTTRNKIMGIYTTETEQIVFIDTPGIHKPKTALGDFMVESAYSTLREVETVLFMVPADEKRGKGDDMIIERLKA--AKIPVILVINKIDKVHPDQLLEQIDDFRSQMDFKEVVPISALQGNNVPTLIKLLTDNLEEGFQYFPEDQI-TDHPERFLVSEMVREKVLHLTQQEVPHSVAVVVESMKRDEETDKVHIRATIMVERDSQKGIIIGKQGAMLKKIGKMARRDIELMLGDKVYLETWVKVKKNWRDKKLDLADFGYNEKEY
1WF3 Chain:A ((4-298))-KTYSGFVAIVGKPNVGKSTLLNNLLGVKVAPISPRPQTTRKRLRGILTEGRRQIVFVDTPGLHKPMDALGEFMDQEVYEALADVNAVVWVVDLRHPPTPEDELVARALKPLVGKVPILLVGNKLDAAKYPE--EAMKAYHELLPEAEPRMLSALDERQVAELKADLLALMPEGPFFYPEDYAKSDQTFGEWVAEILREEAMKRLWHEVPYAVATKVEEVAERE-NGVLYIKAILYVERPSQKAIVIGEGGRKIKEIGQATRKQLEALLGKKVYLDLEVKVYPDWRKDPEALRELGYRS---


General information:
TITO was launched using:
RESULT:

Template: 1WF3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -147378 for 2401 contacts (-61.4/contact) +
2D Compatibility (PS) -31525 + (NN) -10265 + (LL) 924
1D Compatibility (HY) -22800 + (ID) 5750
Total energy: -216794.0 ( -90.29 by residue)
QMean score : 0.544

(partial model without unconserved sides chains):
PDB file : Tito_1WF3.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1WF3-query.scw
PDB file : Tito_Scwrl_1WF3.pdb: