Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRLGKMSDLDQILNLVEEAKELMKEHDNEQWDDQYP----LLEHFEEDI-AKDYLYVLEENDKIYGFIVVDQDQAEWYDDIDWPVNREGAFVIHRLTGSKEY--KGAATELFNYVIDVVKARGAEVILTDTFALNKPAQGLFAKFGFHKVGEQLMEYPPYDKGEPFYAYYKNLKE
3DR6 Chain:A ((5-166))
TIRFADKADCAAITEIYNHAVLHTAA----IWNDRTVDTDNRLAWYEARQLLGYPVLVSEENGVVTGYASFGDWRSFD---------GFRYTVEHSVYVHPAHQGKGLGRKLLSRLIDEARRCGKHVMVAGIESQNAASIRLHHSLGFTVTAQMPQVGVKFGRWLDLTFMQLQLD-
General information:
TITO was launched using:
RESULT:
Template:
3DR6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -68196 for 1128 contacts (-60.5/contact) +
2D Compatibility (PS) -16516 + (NN) -6248 + (LL) 292
1D Compatibility (HY) -800 + (ID) 1400
Total energy: -92868.0 ( -82.33 by residue)
QMean score : 0.426
(partial model without unconserved sides chains):
PDB file :
Tito_3DR6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DR6-query.scw
PDB file :
Tito_Scwrl_3DR6.pdb
: