Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPELPEVETVRKGLERLVVNQEIASITIKVPKMVKTDLNDFMISLPGKTIQQVLRRGKYLLFDFGE-MVMVSHLRMEGKYLLFPNKVPDNKHFHLYFKLTNGSTLVYQDVRKFGTFELVRKSSLKDYFTQKKLGPEPTADTFQFEPFSKGLANSKKPIKPLLLDQRLVAGLGNIYVDEVLWAAKIHPQRLANQLTESETSLLHKEIIRILTLGIEKGGSTIRTYKNALGEDGTMQKYLQVYGKTGQPCPRCGCLIKKIKVGGRGTHYCPRCQCL
1PJI Chain:A ((1-269))
-PELPEVETVRRELEKRIVGQKIISIEATYPRMVLTGFEQLKKELTGKTIQGISRRGKYLIFEIGDDFRLISHLRMEGKYRLATLDAPREKHDHLTMKFADGQ-LIYADVRKFGTWELISTDQVLPYFLKKKIGPEPTYEDFDEKLFREKLRKSTKKIKPYLLEQTLVAGLGNIYVDEVLWLAKIHPEKETNQLIESSIHLLHDSIIEILQKAIKLGGSS-----SALGSTGKMQNELQVYGKTGEKCSRCGAEIQKIKVAGRGTHFCPVCQQK
General information:
TITO was launched using:
RESULT:
Template:
1PJI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140497 for 2150 contacts (-65.3/contact) +
2D Compatibility (PS) -28388 + (NN) -13910 + (LL) 772
1D Compatibility (HY) -25600 + (ID) 7550
Total energy: -215173.0 ( -100.08 by residue)
QMean score : 0.501
(partial model without unconserved sides chains):
PDB file :
Tito_1PJI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PJI-query.scw
PDB file :
Tito_Scwrl_1PJI.pdb
: