Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKDIMDAVFIKEMAKTTSNLYRLGWDERNGGNITYLLDEKEVAEYLD-VKQIIRTIPMDFDGKKLAGKYFLVTGSGKYFKNVEEAPAVNLGVIQVSEDGKAVHLLWGYTDGGLPTSELPAHFMSHIARL-SVDPENRVVMHCHATHLLAMTFTHELTERAFTRTLWQMCTECLVVFPEGVGIIPWLVPGTNEIGEATSEKMKENRLIVWPHHGIYGAGQSMDETFGLIETAEKAAEVYTIVMSQGGIKQAITDEQLKALGERFGVEAKAGYLNN
2V2A Chain:A ((2-272))
--QNITQSWFVQGMIKATTDAWLKGWDERNGGNLTLRLDDADIAPYHDNFHQQPRYIPLSQPMPLLANTPFIVTGSGKFFRNVQLDPAANLGIVKVDSDGAGYHILWGLTNEAVPTSELPAHFLSHCERIKATNGKDRVIMHCHATNLIALTYVLENDTAVFTRQLWEGSTECLVVFPDGVGILPWMVPGTDAIGQATAQEMQKHSLVLWPFHGVFGSGPTLDETFGLIDTAEKSAQVLVKVYSMGGMGQTISAAELIALGKRFGVTPLASAL--
General information:
TITO was launched using:
RESULT:
Template:
2V2A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -182577 for 2351 contacts (-77.7/contact) +
2D Compatibility (PS) -28835 + (NN) -12646 + (LL) 100
1D Compatibility (HY) -26400 + (ID) 6850
Total energy: -257208.0 ( -109.40 by residue)
QMean score : 0.623
(partial model without unconserved sides chains):
PDB file :
Tito_2V2A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2V2A-query.scw
PDB file :
Tito_Scwrl_2V2A.pdb
: