Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRILVTGGVRSGKSTHAEALLGDAA---DVVYVAPGRPAAGSDPDWDARVALH-RARRPPTWLTVET-ADVATALSEARSPVLVDCLGTWLTAIMDGEALWSAATADVYAVLEARLDGLCAALTGLP-TAIVVTNEVGLGVVPSHSSGVLFRDLLGTINRR--------------VAAVCDEVHLVIAGRVLKL
2IT1 Chain:A ((31-213))
-FMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFD-EKDVTELP-PKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDK-LLNRYP-WQLSGGQQQRVAIARAL--VKEPEVLLLDEPLSNLDALL--RLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEIL--
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) -82401 for 1126 contacts (-73.2/contact) +
2D Compatibility (PS) -17354 + (NN) -4954 + (LL) 280
1D Compatibility (HY) -4800 + (ID) 1250
Total energy: -110479.0 ( -98.12 by residue)
QMean score : 0.244
(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
: