Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSITLHSQKDFEFMRKAGRLAAETLDFIAPYVKVGVTTNKLNDLCHDFIVKAGAIPAPLNYKGYPKSICTSKNAVVCHGIPDDKPLKDGDILNIDVTVILNGWYGDTSRMFWAGKPSIKAKRLCDATYVALMEAIKQVKPGNKLNEIGLAVEKYIRDFGYSIVRSYCGHGIGKVFHAPPNVVHFYDQGESLVLKEGMFFTIEPMINAGKHETLLSRLDNWTVTTRDLSLSAQFEHTLGVTEDGVEIFTLSPKNWHFPPYN
3TB5 Chain:A ((1-254))
-MITLKSPREIEMMDESGELLADVHRHLRTFIKPGITSWDIEVFVRDFIESHGGVAAQIGYEGYKYATCCSINDEICHGFPRKKVLKDGDLIKVDMCVDLKGAISDSCWSYVVGESTPEIDRLMEVTKKALYLGIEQAQVGNRIGDIGHAIQTYVEGEGYGVVRDFVGHGIGPTIHESPMIPHYGEAGKGLRLKEGMVITIEPMVNTGTWRMKM-DPNGWTAYTEDGGLSCQYEHSLAITKEGPRILTSQGEELTY----
General information:
TITO was launched using:
RESULT:
Template:
3TB5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -157528 for 2241 contacts (-70.3/contact) +
2D Compatibility (PS) -27539 + (NN) -13469 + (LL) -88
1D Compatibility (HY) -18000 + (ID) 4600
Total energy: -221224.0 ( -98.72 by residue)
QMean score : 0.481
(partial model without unconserved sides chains):
PDB file :
Tito_3TB5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TB5-query.scw
PDB file :
Tito_Scwrl_3TB5.pdb
: