Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
----------MTQGWWFPVMASAFLIFTIVIMFIAGTGQYGLGEKGTVDAFVNGASSLVGVSLIIGLARGINLVLNKGMISDTILHFS--SSIVQHMSGPLFIIVLLFIFFCLGFIVPSSSGLAVLSMPIFAPLADTVGIPRFVIVTTYQFGQYAMLFLAPTGLVMATLQMLNVRYS--HWLRFVWPVVAFVLIFGGGLLITQVLIYS
3P2E Chain:A ((2-216))
LILKGTKTVDLSKDELTEIIGQFD---RVHIDLGTGDGRN-IYKLAINDQNTFYIGIDPVKENLFDISKKIIKKPSKGGLSNVVFVIAAAESLPFELKNI---ADSISILFPWGTLLEYVIKPNRDILSNVADLAKKEAHFEFVTTYSDLSKAYFLSEQYKAELSNSGFRIDDVKELDNEYVKQFNSLWAKRLAFGRKRSFFRVSGHV
General information:
TITO was launched using:
RESULT:
Template:
3P2E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -215090 for 1443 contacts (-149.1/contact) +
2D Compatibility (PS) -19342 + (NN) 6044 + (LL) 852
1D Compatibility (HY) 2800 + (ID) 1300
Total energy: -226036.0 ( -156.64 by residue)
QMean score : 0.125
(partial model without unconserved sides chains):
PDB file :
Tito_3P2E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3P2E-query.scw
PDB file :
Tito_Scwrl_3P2E.pdb
: