Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTRDEALPDSHSAQDFYENYEPKEILGRGVSSVVRRCIHKPTSQEYAVKVIDVTGGGSFSPEEVRELREATLKEVDILRKVSGHPNIIQLKDTYETNTFFFLVFDLMKRGELFDYLTEKVTLSEKETRKIMRALLEVICTLHKLNIVHRDLKPENILLDDNMN---IKLTDFGFSCQLEPGERLR--EVCGTPSYLAPEIIECSMNEDHPGYGKEVDMWSTGVIMYTLLAGSPPFWHRKQMLMLRMIMSGNYQFGSPEWDDYSDTVKDLVSRFLVVQPQNRYTAEEALAHPFF-----------QQYLVEEVRHFSPRGKFKVIALTVLASVRIYYQYRRVKPVTREIVIRDPYALRPLRRLIDAYAFRIYGHWVKKGQQQNRAALFENTPKAVLLSLAEEDY |
3SOA Chain:A ((9-311)) | ---------------FTEEYQLFEELGKG--SVVRRCVKVLAGQEYAAMIINTK---KLSARDHQKLE----REARICRLLK-HPNIVRLHDSISEEGHHYLIFDLVTGGELFEDIVAREYYSEADASHCIQQILEAVLHCHQMGVVHRNLKPENLLLASKLKGAAVKLADFGLAIEVE-GEQQAWFGFAGTPGYLSPEVLR------KDPYGKPVDLWACGVILYILLVGYPPFWDEDQHRLYQQIKAGAYDFPSPEWDTVTPEAKDLINKMLTINPSKRITAAEALKHPWISHRSTVASCMHRQETVDCLKKFNARRKLKGAILTVMLATR---------------------------------------------------------------------- |
|
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) -143001 for 2169 contacts (-65.9/contact) +
2D Compatibility (PS) -31011 + (NN) -19916 + (LL) 6828
1D Compatibility (HY) -26400 + (ID) 5850
Total energy: -219350.0 ( -101.13 by residue)
QMean score : 0.418
|
|
|