Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKYLLPVLVLCLGYYYSTNEEFRPEMLQGKKVIVTGASKGIGREMAYHLSKMGAHVVLTARSEEGLQKVVSRCLELGAASAHYIAGTMEDMAFAERFVVEAGKLLGGLDMLILNHITQTTMSLFHDDIHSVRRSMEVNFLSYVVLSTAALPMLKQSNGSIAIISSMAGKMTQPLIASYSASKFALDGFFSTIRKEHLMTKVNVSITLCVLGFIDTETALKETSGIILSQAAPKEECALEIIKGTVLRKDEVYYDKSSWTPLLLGNPGRRIMEFLSLRSYNRDLFVSN
3D3E Chain:B ((18-275))
-------------------NEEFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAHVVVTARSKETLQKVVSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILNHITNTSLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVSSLAGKVAYPMVAAYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLIDTETAMKAVSGIV--QAAPKEECALEIIKGGALRQEEVYYDSSLWTTLLIRNPSRKILEFLYS-----------
General information:
TITO was launched using:
RESULT:
Template:
3D3E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -171896 for 2171 contacts (-79.2/contact) +
2D Compatibility (PS) -27705 + (NN) -9273 + (LL) 2384
1D Compatibility (HY) -35600 + (ID) 10150
Total energy: -252240.0 ( -116.19 by residue)
QMean score : 0.440
(partial model without unconserved sides chains):
PDB file :
Tito_3D3E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3D3E-query.scw
PDB file :
Tito_Scwrl_3D3E.pdb
: