Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAVMKNYLLPILVLFLAYYYYSTNEEFRPEMLQGKKVIVTGASKGIGREMAYHLSKMGAHVVLTARSEEGLQKVVSRCLELGAASAHYIAGTMEDMTFAEQFIVKAGKLMGGLDMLILNHITQTSLSLFHDDIHSVRRVMEVNFLSYVVMSTAALPMLKQSNGSIAVISSLAGKMTQPMIAPYSASKFALDGFFSTIRTELYITKVNVSITLCVLGLIDTETAMKEISGIINAQASPKEECALEIIKGTALRKSEVYYDKSPLTPILLGNPGRKIMEFFSLRYYNKDMFVSN-----
1XSE Chain:A ((22-295))
-----------------------NEKFRPEMLQGKKVIVTGASKGIGREIAYHLAKMGAHVVVTARSKEALQKVVARCLELGAASAHYIAGSMEDMTFAEEFVAEAGNLMGGLDMLILNHVLYNRLTFFHGEIDNVRKSMEVNFHSFVVLSVAAMPMLMQSQGSIAVVSSVAGKITYPLIAPYSASKFALDGFFSTLRSEFLVNKVNVSITLCILGLIDTETAIKATSGIYLGPASPKEECALEIIKGTALRQDEMYYVGSRWVPYLLGNPGRKIMEFLSAAEYNWDNVLSNEKLYG
General information:
TITO was launched using:
RESULT:
Template:
1XSE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -193990 for 2234 contacts (-86.8/contact) +
2D Compatibility (PS) -29066 + (NN) -9808 + (LL) 2632
1D Compatibility (HY) -36000 + (ID) 10000
Total energy: -276232.0 ( -123.65 by residue)
QMean score : 0.451
(partial model without unconserved sides chains):
PDB file :
Tito_1XSE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XSE-query.scw
PDB file :
Tito_Scwrl_1XSE.pdb
: