Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKGILGKKVGMTQIFTESGEFIPVTVIEATPNVVLQVKTVETDGYEAVQVGFDDKREVLSNKPAKGHVAKANTAPKRFIREFKNIEGLEVGAELSVEQFEAGDVVDVTGTSKGKGFQGVIKRHGQSRGPMAHGS-RYHRRPGSMGPV-APNRVFKNKRLAGRMGGNRVTVQNLEIVQVIPEKNVVLIKGNVPGAKKSLITIKSAVKAAK
4IOA Chain:B ((2-199))
--KGILGTKIGMTQIW-KNDRAIPVTVVLAGPCPIVQRKTAQTDGYEAVQIGYAPKAERKVNKPMQGHFAKAGVAPTRILREFRGFA--PDGDSVNVDIFAEGEKIDATGTSKGKGTQGVMKRWNFAGGPASHGSKKWHRRPGSIGQRKTPGRVYKGKRMAGHMGMERVTVQNLEVVEIRAGENLILVKGAIPGANGGLVVLRSAAKAS-
General information:
TITO was launched using:
RESULT:
Template:
4IOA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -13874 for 1297 contacts (-10.7/contact) +
2D Compatibility (PS) -20749 + (NN) -2752 + (LL) 288
1D Compatibility (HY) -13600 + (ID) 5150
Total energy: -55837.0 ( -43.05 by residue)
QMean score : 0.350
(partial model without unconserved sides chains):
PDB file :
Tito_4IOA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4IOA-query.scw
PDB file :
Tito_Scwrl_4IOA.pdb
: