Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | -LNNKTSWIEELKEKRMAYGLSQNKLAVASGITRQYLSDIE-------NEKVIPTEQVKTALLDSLERFNPDNPLEMLFDYVRIRFPTDNVEKIIEEILHLNIDYMIHEDFGYYSYPEHYRFGDIMVMVSYDITKGVLLELKGKGCRQYENFLLAQHRSWYDFFTDCLEVNGVFKRLDLAINDKVGILDIPELARKSEQEECISIFRTFKNYRSGELVHRDEKSDMGNTLYIGSLKSEVY---FCIYEKDYEQFIKNDIPLEDPEVKNRFEIRLKNDRATHAIQDLLAYRNAEKTAFEIINRYIRFADKDTTKRRSQWQTSERWEWFIGKNRGELRLTTKPEPYSYERTLNWLRHQVAPTLKVASILDVLNE-TDIIPAMIRDANLTEKHEKLIEQQNLAVEDVIV |
4NTC Chain:A ((2-326)) | MSIGKLLSNGALLVDVLIIGAGPAGLSTATGLARQLHTAVVFDSGVYRNAKTQHMHNVLGWDHRNPAELRAAGRADLTTRYSTIQFQNSTIEAIRQVETN--------QLFEARDNEGHSWYGRKVVLAT--------------GVRDIPLDIEGYSECWANGIYHCLFCDGYEERG----QETVGVLALGPIAN---PARALHLARMALRLSESVTIYTNGNEQLAKEIQQAAEESPVGASGLKFEARPIRRFEKGD-------VAKTVIVHLGESESKTE--GFLVYN----PQTEVNGPFAKQLALNMTEGGD--------------------ILTTPPFYE------------TSVPGVFAVGDCATPLKAVTPAVSMGSLAAGGLVAQLQAQAL------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4NTC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -61279 for 2628 contacts (-23.3/contact) +
2D Compatibility (PS) -31896 + (NN) 6235 + (LL) 6772
1D Compatibility (HY) -4400 + (ID) 2600
Total energy: -87168.0 ( -33.17 by residue)
QMean score : 0.180
|
|
|