Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAVMKNYLLPILVLFLAYYYYSTNEEFRPEMLQGKKVIVTGASKGIGREMAYHLSKMGAHVVLTARSEEGLQKVVSRCLELGAASAHYIAGTMEDMTFAEQFIVKAGKLMGGLDMLILNHITQTSLSLFHDDIHSVRRVMEVNFLSYVVMSTAALPMLKQSNGSIAVISSLAGKMTQPMIAPYSASKFALDGFFSTIRTELYITKVNVSITLCVLGLIDTETAMKEISGIINAQASPKEECALEIIKGTALRKSEVYYDKSPLTPILLGNPGRKIMEFFSLRYYNKDMFVSN
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) -177100 for 2212 contacts (-80.1/contact) +
2D Compatibility (PS) -28197 + (NN) -6987 + (LL) 2876
1D Compatibility (HY) -35200 + (ID) 10300
Total energy: -254908.0 ( -115.24 by residue)
QMean score : 0.423
(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
: