Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKFLLKPKKSLGQNFILSSEITKRIVVLAGNLEDFNVIEIGPGYGALTKEILAHNPKSLLAIEKDSNLV-KCHDQLLNEHQGKFRIVEADALYVVEEELIERPVKVIANLPYNISLALFLKWLNKIKLFTTFTLMFQKEVADRIIARPNSKDYGSLSVLSQLLCDIRREFDIEPKEFFPRPKVYSSVITVKPLPTQRFAVNLEALTKLTRAVFAQRRKMLRNSLQN--VTNRTETALENAKLSGNERPKNLTVEQFCLLANNM
2H1R Chain:A ((2-240))
--------------HLLKNPGILDKIIYAAKIKSSDIVLEIGCGTGNLTVKLLPL-AKKVITIDIDSRMISEVKKRCLYEGYNNLEV----AIKTV----FPKFDVCTANIPYKISSPLIFKLISHRPLFKCAVLMFQKEFAERMLANVGDSNYSRLTINVKLFCKVTKVCNVNRSSFNPPPKVDSVIVKLIPKESS-FLTNFDEWDNLLRICFSRKRKTLHAIFKRNAVLNMLEHNYKNWCTLNKQVPVNFPFKKYCLDVLEH
General information:
TITO was launched using:
RESULT:
Template:
2H1R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -115094 for 1681 contacts (-68.5/contact) +
2D Compatibility (PS) -25293 + (NN) -14111 + (LL) 1840
1D Compatibility (HY) -20800 + (ID) 3300
Total energy: -176758.0 ( -105.15 by residue)
QMean score : 0.520
(partial model without unconserved sides chains):
PDB file :
Tito_2H1R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2H1R-query.scw
PDB file :
Tito_Scwrl_2H1R.pdb
: