Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MMNTDETIFALSTVFGKSGVAVIRISGNHALKALNHFHVNKDMKPRFATLVDLYDSSDQLIDNGIAIYFPAPNSFTGEDVIELQVHGGKAVIKIVLEELSRIFVMAKPGEFLLRAFLNGKFDLTQIEGIADLIDAETKMQAKQAIKQMSGELEKLYSSWRQRLIAVQSKIEAYIDFPEDVATEKNELEKINDEVQTLVQSIQEHLNDNRRGERLREGLHIVITGEPNVGKSTLFNFLARRDIAIVSEYVGTTRDILEAHIDIGGYPIILSDTAGIRESSDPVESEGISRAKKRSCEADLRIELFPFEQRYNINCNV-----ISSNTIYVLSKADDVINDHDI-------KISDIDFLPVSILKGIGTEKLVSVIKEKVEEKFVYDRDVPVITRQRHRNCMQKAIEHLRRFNMNNPIELVSEDLRLAASELGVVTGIINVEEVLDDIFNNFCVGK |
| 3A1S Chain:A ((4-167)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HMVKVALAGCPNVGKTSLFNALTGTKQY-VANWPGVTVEKKEGVFTYKGYTINLIDLPGTYSLGYSSIDEKIARDYLLKGDADLVILVADSVNPEQSLYLLLEILEMEKKVILAMTAIDEAKKTGMKIDRYELQKHLGIPVVFTSSVTGEGLEELKEKIVEYAQKNTILHRMILDYGEKVESEIKKVENFLRDKKLRINPRYFALKYLSGDPEFYSEGVKLGLPELSEEERIGYRLLIA |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3A1S.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -69026 for 1179 contacts (-58.5/contact) +
2D Compatibility (PS) -16182 + (NN) -2677 + (LL) 16932
1D Compatibility (HY) -2000 + (ID) 1900
Total energy: -74853.0 ( -63.49 by residue)
QMean score : 0.410
|
|
|