Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFD--SKVAIVTGAAQGIGQAYAQALAREGASVVVADINADGAAAVAKQIVADGGTAIHVPVDVSDEDSAKAMVDRAVGAFGGIDYLVNNAAIYGGMKLDLLLTVPLDYYKKFMSVNHDGVLVCTRAVYKHMAKRG-GGAIVNQSSTAAWLYS-----NFYGLAKVGVNGLTQQLARELGGMKIRINAIAPGPIDTEATRTVTPAELVKNMVQTIPLSRMGTPEDLVGMCLFLLSDSASWITGQIFNVDGGQIIRS
3R1I Chain:A ((27-272))
LFDLSGKRALITGASTGIGKKVALAYAEAGAQVAVAARHSDALQVVADEIAGVGGKALPIRCDVTQPDQVRGMLDQMTGELGGIDIAVCNAGI---VSVQAMLDMPLEEFQRIQDTNVTGVFLTAQAAARAMVDQGLGGTIITTASMSGHIINIPQQVSHYCTSKAAVVHLTKAMAVELAPHQIRVNSVSPGYIRTELVEPL--ADYHALWEPKIPLGRMGRPEELTGLYLYLASAASSYMTGSDIVIDGG-----
General information:
TITO was launched using:
RESULT:
Template:
3R1I.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -165342 for 2081 contacts (-79.5/contact) +
2D Compatibility (PS) -25812 + (NN) -12884 + (LL) 260
1D Compatibility (HY) -16000 + (ID) 4400
Total energy: -224178.0 ( -107.73 by residue)
QMean score : 0.568
(partial model without unconserved sides chains):
PDB file :
Tito_3R1I.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R1I-query.scw
PDB file :
Tito_Scwrl_3R1I.pdb
: