Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDPTISTLDTELTPINGTEETLCYKQTLSLTVLTCIVSLVGLTGNAVVLWLLGCRMR-RNAFSIYILNLAAADFLFLSGRLIYSLL---SFISIPHTISKILYPVMMFSYFAGLSFLSAVSTERCLSVLWPIWYRCHRPTHLSAVVCVLLWALSL---LRSILEWMLCGFLFSGADSAW--------CQTSDFITVAWLIFLCVVLCGSSLVLLI-----RILCGSRK---------IPLTRLYVTILLTVL----------VFLLCGLPFGI-QFFLFLWIHVDREVLFCHVHLVSIFLSALNSSANPIIYFFVGSFRQRQNRQNLKLVLQRALQDASEVDEGGGQLPEEILELSGSRLEQ |
3REY Chain:A ((16-305)) | ------------------------------------IAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADILVGVLAIPFAITISTGFCAACHGCLFIACFVLVLAQSSIFSLL-AIAIDRYIAIAIPLRYNGLVTGTRAAGIIAICWVLSFAIGLTPMLGWNNCGQP--------GCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFAAARRQLKQMESQPLPGERARSTLQKEVHAAKSAAIIAGLFALCWLPLHIINCFTFFCPDCSHAPLW--LMYLAIVLAHTNSVVNPFIY----AYRIREFRQTFRKIIRS----------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3REY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -212390 for 1748 contacts (-121.5/contact) +
2D Compatibility (PS) -24586 + (NN) -4496 + (LL) 4708
1D Compatibility (HY) -25600 + (ID) 3150
Total energy: -265514.0 ( -151.90 by residue)
QMean score : 0.253
|
|
|