Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKDLHTDNLQISYDKRIIVDGLDIAIPANKITALVGANGSGKSTILKTMSRLMKPSKGAVYLDGKTIHSQPTRDVAKQLAILPQNPSAPDGLTVFELISYGRSPHQSSFKSITAKDREIIFWSLRVTNLTEFADRPIDSLSGGQRQRAWIAMALAQETDVLFLDEPTTFLDMTHQLDVLNLLKQLNQSENRTIVMVVHDLNHASRYAHHMIAIKEGKVIAEGTPTSVMTEQTLEDVFNIKADILIDPRSGVPLCLPYETCNGCEIVKELDSIAK |
2IT1 Chain:A ((1-221)) | MVEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKD--RNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVA----KMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEV----------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IT1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -103591 for 1808 contacts (-57.3/contact) +
2D Compatibility (PS) -23915 + (NN) -8761 + (LL) 3940
1D Compatibility (HY) -14800 + (ID) 3550
Total energy: -150677.0 ( -83.34 by residue)
QMean score : 0.465
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