Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEPFKSGFVAIVGRPNVGKSTLLNHIIGQKIAIMSDKAQTTRNKVQGVYTT-DESQIIFIDTPGIHKPKH--KLGDFMVKIALNTFQEVDLIYFVIDASTGFGRGDEFIIE-KLKNVQTPVFLLINKIDLIAPED-LFKLIEQYRDLMD-FDEIIPISALQGNNVPNLLEQTNANLEIGPMYYPKDQITDHPERFIISELIREQVLQLTREEVPHSVAVVIEGIEKNPK-TEKLTINATIIVERSTQKGIIIGKQGQMLKQIGMRARKEIERLLGSKVFLEIWVKVQKNWRDKEHYLQDYGFDREEY |
3IEV Chain:A ((7-307)) | ---HMKVGYVAIVGKPNVGKSTLLNNLLGTKVSIISPKAGTTRMRVLGVKNIPNEAQIIFLDTPGIYEPKKSDVLGHSMVEIAKQSLEEADVILFMIDATEGWRPRDEEIYQNFIKPLNKPVIVVINKIDKIGPAKNVLPLIDEIHKKHPELTEIVPISALKGANLDELVKTILKYLPEGEPLFPEDMITDLPLRLLAAEIVREKAMMLTREEVPTSIAVKINEIKPGDANPNMLVIKGEIIVDRENLKPIIIGKKGQRLKEIGKRARQELELILGRPVYLELWVKVVPDWRRRPEYVRLFGYA---- |
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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) -198219 for 2390 contacts (-82.9/contact) +
2D Compatibility (PS) -32659 + (NN) -14674 + (LL) 684
1D Compatibility (HY) -32400 + (ID) 7000
Total energy: -284268.0 ( -118.94 by residue)
QMean score : 0.589
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