Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLTMIKNGDSIAVVNGDIELSYKDIDRQSNSFANGLLKAGFKCGDKIVLQLPNYHEFIIIAFAMFKVGIIPIMSLPAHRKNELKGIIEKSEAVAYIAKDKYLGFSYVDMIRDIKIESDREFKVYILGEGDEFKKFSELNDNNYIYQKTEVDYKNIGLLLLSGGTTRIPKLIPRRHCDYLYVAKKTSIISGMDRGSIYLAALPMAHNFPLCCPGILGTFAVGGKVVVCEVTSPDEILPLIEEEKVTITGFVPAIANICMDYL--QYEDYDLSSLKIL
3RG2 Chain:D ((32-307))
ILTRHAASDSIAVIDGERQLSYRELNQAADNLACSLRRQGIKPGETALVQLGNVAELYITFFALLKLGVAPVLALFSHQRSELNAYASQIEPALLIADRQHALFSGDDFLNTFVTEHSSIRVVQLLNDSGEHNLQDAINHPAEDFTATPSPADEVAYFQLSG--TGTPKLIPRTHNDYYYSVRRSVEICQFTQQTRYLCAIPAAHNYAMSSPGSLGVFLAGGTVVLAADPSATLCFPLIEKHQVNVTALVPPAVSLWLQALIEGESRAQLASLKLL
General information:
TITO was launched using:
RESULT:
Template:
3RG2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -192272 for 2247 contacts (-85.6/contact) +
2D Compatibility (PS) -29304 + (NN) -6384 + (LL) -120
1D Compatibility (HY) -14400 + (ID) 4400
Total energy: -246880.0 ( -109.87 by residue)
QMean score : 0.489
(partial model without unconserved sides chains):
PDB file :
Tito_3RG2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RG2-query.scw
PDB file :
Tito_Scwrl_3RG2.pdb
: