Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLIDIQNLTIKNTCEKYLIKGIDLKIFSQQINALIGESGAGKSLIAKALLEYLPFDLSCTYDSYQFDGENISRLSQYYGHTIGYISQNYAESFNDHTKLGKQLTAIYRKHYKSSKEEALSKIDKALSWVNLQSKDILNKYSFQLSGGQLERVYIASVLMLEPKLIIADEPVASLDALNGNQVMDLLQHIVLEHGQTLFIITHNLSHVLKYCQYIYVLKEGQIIERGNINHFKYEHLHPYTERLIKYRTQLKRDYYD
2IT1 Chain:A ((1-231))
MVEIKLENIVKKFG-NFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYK----PTSGKIYFDEKDVTELP-PKDRNVGLVFQNW-A-LYPHMTVYKNIAFPLELR-KAPREEIDKKVREVAKMLHID--KLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVG---------------
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) -174691 for 1896 contacts (-92.1/contact) +
2D Compatibility (PS) -24951 + (NN) -9337 + (LL) 1904
1D Compatibility (HY) -12800 + (ID) 3350
Total energy: -223225.0 ( -117.73 by residue)
QMean score : 0.406
(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
: