Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRFLPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQ----GFNLKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVLQGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQ-QQKGVSFPTH--LSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
3SOA Chain:A ((10-272))
------TEEYQLFEELGKG--SVVRRCVKVLAGQEYAAMIINTKKLSARDHQKL-EREARICRLLKHPNIVRLHDSISE-EGHHYLIFDLVTGGELFEDIVAREYYSEADASHCIQQILEAVLHCHQMGVVHRNLKPENLLLASKLKGAAVKLADFGLAIEVEGEQQ-AWFGFAGTPGYLSPEVLRKDPYGK-PVDLWACGVILYILLVGYPPFWDEDQHRLYQQIKAGAYDFPSPEWDTVTPEAKDLINKMLTINPSKRITAAEALKHPWISHR
General information:
TITO was launched using:
RESULT:
Template:
3SOA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -123613 for 1929 contacts (-64.1/contact) +
2D Compatibility (PS) -27618 + (NN) -14684 + (LL) 1352
1D Compatibility (HY) -16800 + (ID) 3900
Total energy: -185263.0 ( -96.04 by residue)
QMean score : 0.452
(partial model without unconserved sides chains):
PDB file :
Tito_3SOA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SOA-query.scw
PDB file :
Tito_Scwrl_3SOA.pdb
: