Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKGILGKKVGMTQIFTESGEFIPVTVIEATPNVVLQVKTVETDGYEAVQVGFDDKREVLSNKPAKGHVAKANTAPKRFIREFKNIEGLEVGAELSVEQFEAGDVVDVTGTSKGKGFQGVIKRHGQSRGPMAHGS-RYHRRPGSMGPV-APNRVFKNKRLAGRMGGNRVTVQNLEIVQVIPEKNVVLIKGNVPGAKKSLITIKSAVKAAK
4IOC Chain:B ((2-199))
--KGILGTKIGMTQIW-KNDRAIPVTVVLAGPCPIVQRKTAQTDGYEAVQIGYAPKAERKVNKPMQGHFAKAGVAPTRILREFRGFA--PDGDSVNVDIFAEGEKIDATGTSKGKGTQGVMKRWNFAGGPASHGSKKWHRRPGSIGQRKTPGRVYKGKRMAGHMGMERVTVQNLEVVEIRAGENLILVKGAIPGANGGLVVLRSAAKAS-
General information:
TITO was launched using:
RESULT:
Template:
4IOC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -11459 for 1301 contacts (-8.8/contact) +
2D Compatibility (PS) -21639 + (NN) -8259 + (LL) 288
1D Compatibility (HY) -13600 + (ID) 5150
Total energy: -59819.0 ( -45.98 by residue)
QMean score : 0.377
(partial model without unconserved sides chains):
PDB file :
Tito_4IOC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4IOC-query.scw
PDB file :
Tito_Scwrl_4IOC.pdb
: