Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQNETASHGINFDALGRDRQSLDLASESVELEVPGLNLFYGAKQALFDVRMNIPKQRVTAFIGPSGCGKSTLLRCFNRMNDLVDGCRVEGEIRLDGHNIFAKGVDVAELRRRVGMVFQKPNPFPKSIYENVVYGLRIQGINKKRVLDEAVEWALKGAALWEEVKDRLHESALGLSGGQQQRLVIARTIAVEPEVLLLDEPCSALDPISTLKIEELIYELKSKFTIVIVTHNMQQAARVSDYTAFMYMGKLIEFGDTDTLFTNPAKKQTEDYITGRYG |
3NHB Chain:A ((63-277)) | --------------------------------------YAD-RETLQDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFYDISSGC-----IRIDGQDI--SQVTQASLRSHIGVVPQDTVLFNDTIADNIRYGRVTAGNDEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAIARTILKAPGIILLDEATSALDTSNERAIQASLAKVCANRTTIVVAHRLSTVVN-ADQILVIKDGCIVERGRHEALLS---------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NHB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -102846 for 1649 contacts (-62.4/contact) +
2D Compatibility (PS) -22491 + (NN) -345 + (LL) 3520
1D Compatibility (HY) -9200 + (ID) 3500
Total energy: -134862.0 ( -81.78 by residue)
QMean score : 0.408
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