Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MNTSHKTLKTIAILGQPNVGKSSLFNRLARERIAITSDFAGTTRDINKRKIALNGHEVELLDTGGMAKDALLSKEIKALNLKAAQMSDLILYVVDGKSIPSDEDLKLFREVFKTNPNCFLVINKIDNDKEKERSYAFSSFGTPKSFNISVSHNRGISALIDAVLNALNLNQIIEQDLDADILESLETPNNALEETKEEEIIQVGIIGRVNVGKSSLLNALTKKERSLVSSVAGTTIDPIDETILI-GDQKICFVDTAGIRHRGKILGIEKYALDRTQKALEKSHIALLVLDVSAPFVELDEKISSL-ADKHSLGIILILNKWDIRY-A-PYEEIMATLKRKFRFLEYAPVITTSCLKARHIDEIKHKIIEVYECFSKRIPTSSLN---------SVIFQATQ---KHPLPSDGGKLVKVYYATQFATKPPQISLIMNRP--------KALHFSYKR--YLINTLRKEFN-FLGTPLILNAKDKKSVQQN |
| 3IEV Chain:A ((8-292)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKVGYVAIVGKPNVGKSTLLNNLLGTKVSIISPKAGTTRMRVLGVKNIPNEAQIIFLDTPGIYEPKKSDVLGHSMVEIAKQSLEEADVILFMIDATEGWRPRDEEIYQNFIKPLNKPVIVVINKIDKIGPAKNVLPLIDEIHKKHP--ELTEIVPISALKGANLDELVKTILKYLPEGEPLFPEDMITDLPLRLLAAEIVREKAMMLTREEVPT--SIAVKINEIKPGDANPNMLVIKGEIIVDRENLKPIIIGKKGQRLKEIGKRARQELELILGRPVYLELWVKVVPDWR |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IEV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -134916 for 1958 contacts (-68.9/contact) +
2D Compatibility (PS) -27520 + (NN) -7616 + (LL) 12920
1D Compatibility (HY) -12400 + (ID) 2950
Total energy: -172482.0 ( -88.09 by residue)
QMean score : 0.429
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