Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVMKIIELKEATVQVSNGLAEMKTILDHVNLSIYEHDFITILGGNGAGKSTLFNVIAGTLMLSGGNIYIMGQDVTNLPAEKRAKYLSRVFQDPKMGTAPRMTVAENLLVAKFRGEKRPLVPRKITNYTEEFQKLIARTGNGLDRHLETPTGLLSGGQRQALSLLMATLKKPNLLLLDEHTAALDPRTSVSLMGLTDEFIKQDSLTALMITHHMEDALKYGNRILVMKDGKIVRDLNQAQKNKMAIADYYQLFD
2IT1 Chain:B ((17-214))
-----------------------TALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRN--VGLVFQN--WALYPHMTVYKNI---AFPLELRKAPREEIDKKVREVAKMLH-----IDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFL
General information:
TITO was launched using:
RESULT:
Template:
2IT1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127510 for 1549 contacts (-82.3/contact) +
2D Compatibility (PS) -21040 + (NN) -5193 + (LL) 2964
1D Compatibility (HY) -14800 + (ID) 3450
Total energy: -169029.0 ( -109.12 by residue)
QMean score : 0.439
(partial model without unconserved sides chains):
PDB file :
Tito_2IT1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IT1-query.scw
PDB file :
Tito_Scwrl_2IT1.pdb
: