Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKYLLPVLVLCLGYYYSTNEEFRPEMLQGKKVIVTGASKGIGREMAYHLSKMGAHVVLTARSEEGLQKVVSRCLELGAASAHYIAGTMEDMAFAERFVVEAGKLLGGLDMLILNHITQTTMSLFHDDIHSVRRSMEVNFLSYVVLSTAALPMLKQSNGSIAIISSMAGKMTQPLIASYSASKFALDGFFSTIRKEHLMTKVNVSITLCVLGFIDTETALKETSGIILSQAAPKEECALEIIKGTVLRKDEVYYDKSSWTPLLLGNPGRRIMEFLSLRSYNRDLFVSN
4BB5 Chain:D ((26-290))
---------------------EFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAHVVVTARSKETLQKVVSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILNHITNTSLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVSSLAGKVAYPLVAAYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLIDTETAMKAVSG---MQAAPKEECALEIIKGGALRQEEVYYDSSRWTTLLIRNPSRKILEELYSTSYNMDRFI--
General information:
TITO was launched using:
RESULT:
Template:
4BB5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -170396 for 2212 contacts (-77.0/contact) +
2D Compatibility (PS) -28510 + (NN) -11082 + (LL) 2236
1D Compatibility (HY) -34800 + (ID) 10250
Total energy: -252802.0 ( -114.29 by residue)
QMean score : 0.443
(partial model without unconserved sides chains):
PDB file :
Tito_4BB5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BB5-query.scw
PDB file :
Tito_Scwrl_4BB5.pdb
: