Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRLQTRFAQLKQENRAALVTFVTAGDPDYASSLEILKGLPAAGADVIELGMPFTDPMADGPAIQLANIRALDGGQTLARTLQMVREFRSGDSETPLVLMGYFNPIHHYGVERFIAEAKEVGVDGLIVVDLPPEHNEDLCHPAQAAGIDFIRLTTPTTGDQRLPTVLEGSSGFVYYVSVAGVTGANAATLEHVEEAVARLRRHTDLPIGIGFGIRSAEHAAAVAR-LADGVVVGSALIDRIAKARDN-AQAVKDVLALCGELAEGVRNAR
3NAV Chain:A ((5-270))
-NRYQALFQRLSAAQQGAFVPFVTIGDPNPEQSLAIMQTLIDAGADALELGMPFSDPLADGPTIQGANLRALAAKTTPDICFELIAQIRARNPETPIGLLMYANLVYARGIDDFYQRCQKAGVDSVLIADVPTNESQPFVAAAEKFGIQPIFIAPPTASDETLRAVAQLGKGYTYLLSRA--------ANMPVHALLERLQQFDAPPALLGFGISEPAQVKQAIEAGAAGAISGSAVVKIIETHLDNPAKQLTELANFTQAMKKATKI--
General information:
TITO was launched using:
RESULT:
Template:
3NAV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -165126 for 2214 contacts (-74.6/contact) +
2D Compatibility (PS) -29793 + (NN) -24212 + (LL) 524
1D Compatibility (HY) -15200 + (ID) 4200
Total energy: -238007.0 ( -107.50 by residue)
QMean score : 0.586
(partial model without unconserved sides chains):
PDB file :
Tito_3NAV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NAV-query.scw
PDB file :
Tito_Scwrl_3NAV.pdb
: