Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRFLPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQ----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: