Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVTLNTPKVDFNFTAKNFNLLGVDNKYYTLSDCCGKNGFIVMFICNHCPYVQSIISNLISDVDLLKKDYQVNTIAIMPNDVNEYPEDSFENMINFAKENKFTFPYLIDSKQEVAKEYGAVCTPDFFGFNANLNLCYRGRFNDAKKEKIQNYEIGSSNLFQAMKFIAETGNSPINQKSSIGCSIKWSNSTG
2CVB Chain:A ((2-181))
---LQYPELPLESPLIDAELPDPRGGRYRLSQFHE-PLLAVVFMCNHCPYVKGSIGELVALAERYRG--KVAFVGINANDYEKYPEDAPEKMAAFAEEHGIFFPYLLDETQEVAKAYRALRTPEVFLFDERRLLRYHGRVNDNPKDP-SK--VQSHDLEAAIEALLRGEEPPLKEAPAIGCTIKWRPGNE
General information:
TITO was launched using:
RESULT:
Template:
2CVB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -21487 for 1439 contacts (-14.9/contact) +
2D Compatibility (PS) -19031 + (NN) -3435 + (LL) 932
1D Compatibility (HY) 4800 + (ID) 1000
Total energy: -39221.0 ( -27.26 by residue)
QMean score : 0.145
(partial model without unconserved sides chains):
PDB file :
Tito_2CVB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CVB-query.scw
PDB file :
Tito_Scwrl_2CVB.pdb
: