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



Input alignment information:
Query sequenceMGQKIAVVGATGRVGHEVLSILAEFQDEGKISIDSVITFASKKSKGKKVSFGNEELTVLCLENYDFADIDIAIFCAGYHVSEKYVPIATEAGCIVIDNSSYFRMKEGVPLIIPEINKEKIMEYKNHN-IISNPNCTIIQMLLVLHLLYQKAKIKRIVASTYQSTSGAGKAAMDELYNQTKKIFTNEAKKP-----EIFPK-------QIAFNCIPHIGEFMEDGSTKEEWKMQEETKKILEAD-IKVTATCVRVPVFIGHAIAVNVEFYQHITEEQAREMLSEVEDTGILVYDRRKDGKYITQIDVVQENAVYVSRIRKDNTVEHGLNMWIVADNLRKGAALNIVQILEILTREHLSIKCI
3PWS Chain:B ((2-346))-GYTVAVVGATGAVGAQMIKML----EESTLPIDKIRYLASARSAGKSLKFKDQDITIEETTETAFEGVDIALFSAGSSTSAKYAPYAVKAGVVVVDNTSYFRQNPDVPLVVPEVNAHAL---DAHNGIIACPNCSTIQMMVALEPVRQKWGLDRIIVSTYQAVSGAGMGAILETQRELREVL-NDGVKPCDLHAEILPSGGDKKHYPIAFNALPQIDVFTDNDYTYEEMKMTKETKKIMEDDSIAVSATCVRIPVLSAHSESVYIETKEVAPIEEVKAAIAAF--PGAVLEDDVAHQIYPQAINAVGSRDTFVGRIRKDLDAEKGIHMWVVSDNLLKGAAWNSVQIAETLHERGLVRPTA


General information:
TITO was launched using:
RESULT:

Template: 3PWS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -244813 for 2923 contacts (-83.8/contact) +
2D Compatibility (PS) -35939 + (NN) -11851 + (LL) 1192
1D Compatibility (HY) -23600 + (ID) 7050
Total energy: -322061.0 ( -110.18 by residue)
QMean score : 0.571

(partial model without unconserved sides chains):
PDB file : Tito_3PWS.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3PWS-query.scw
PDB file : Tito_Scwrl_3PWS.pdb: