Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNNNFLWGGATASYQCEGAWDVDGKAESMWDYYLHEAGL----ENGDVASDHYHRYEEDIRMMKEGGQNSYRFSLSWPRIIKNRQGDINLKGIEFYQNLLDTCKKYDIEPFVTLYHWDLPQYWEETGGWLDHDVCAAFEHYAKVCYDHFGDKITNWTTFNEPKWFVANGYKIGNYPPGYQDTQKTMIAAYNVMYASALGVKAFKEGGYP--GQIGIVHSYTPVNGIDESIETKIAMRYADNYCNNWILDTAALGEFPVDLIAELAKSHDISFMKTDELQTIKQNTVDFIGLNYYSRTLVKPYTGGETQLQFNHSGKKGESKVLIKNWFEQVKDPANETTEWDTEIYPKGLQDGLIEAYERY-QLPLYVTENGIGVREDVSVPQ--VDDAYRIAFMNDHINAIFNAIDAGCDVRGYYAWSPFDLYSWKNGVEKRYGLVAVDFENNQIRKPKASYYWFKEMIESQGKLIKRREF |
1GNX Chain:A ((21-473)) | ---GFLWGSATASYQIEGAAAEDGRTPSIWDTYARTPGRVRNGDTGDVATDHYHRWREDVALMAELGLGAYRFSLAWPRIQPTGRGPALQKGLDFYRRLADELLAKGIQPVATLYHWDLPQELENAGGWPERATAERFAEYAAIAADALGDRVKTWTTLNEPWCSAFLGYGSGVHAPGRTDPVAALRAAHHLNLGHGLAVQALRD-RLPADAQCSVTLNIHHVRPLTDSDADADAVRRIDALANRVFTGPMLQGAYPEDLVKDTAGLTDWSFVRDGDLRLAHQK-LDFLGVNYYSPTLV-----------SAHSPWPGADRVA----FHQ---PPGETTAMGWAVDPSGLYELLRRLSSDFPALPLVITENGAAF-HDYADPEGNVNDPERIAYVRDHLAAVHRAIKDGSDVRGYFLWSLLDNFEWAHGYSKRFGAVYVDYPTG-TRIPKASARWYAEVART---------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1GNX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -169689 for 3904 contacts (-43.5/contact) +
2D Compatibility (PS) -46167 + (NN) -19947 + (LL) 1860
1D Compatibility (HY) -22400 + (ID) 8650
Total energy: -264993.0 ( -67.88 by residue)
QMean score : 0.531
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