Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLEHITKKYGSNVVLNDIDFDFGDSRIVGLIGKNGVGKTTIMKVMNGNIIKFD-GKVDIDN-------------ADNIGFLIEHPKLYDNKSGLYNLKLFAQVLGKGF---DKAYTDKIIDAFGMRPYIKKKVKKYSMGMKQKLAIAVSLMNKPKFLILDEPTNGMDPDGSIDVLTTIKSLVNELDMRILISSHKLEDIELICDRAVFLRDGHFVQDVNMEVGVASDTTIVTVDHKDFDRTEKYLAEHFQLQNVDKADGHLMINAQKNYQVILKALSELDIYPKYIETRKSSLRDTYFNINQRGDK |
3C41 Chain:J ((6-242)) | --VHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLN-LLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANE-GMTMVVVTHEMGFAREVGDRVLFMDGGYIIEE-----GKPED----LFDRPQHERTKAFLSKVF--------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C41.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -127594 for 1796 contacts (-71.0/contact) +
2D Compatibility (PS) -23459 + (NN) -6455 + (LL) 5284
1D Compatibility (HY) -16000 + (ID) 3100
Total energy: -171324.0 ( -95.39 by residue)
QMean score : 0.538
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