Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKGILGKKVGMTQIFTESGEFIPVTVIEATPNVVLQVKTVETDGYEAVQVGFDDKREVLSNKPAKGHVAKANTAPKRFIREFKNIEGLEVGAELSVEQFEAGDVVDVTGTSKGKGFQGVIKRHGQSRGPMAHGS-RYHRRPGSMGPV-APNRVFKNKRLAGRMGGNRVTVQNLEIVQVIPEKNVVLIKGNVPGAKKSLITIKSAVKAAK
3PIP Chain:B ((2-199))
--KGILGTKIGMTQIW-KNDRAIPVTVVLAGPCPIVQRKTAQTDGYEAVQIGYAPKAERKVNKPMQGHFAKAGVAPTRILREFRGFA--PDGDSVNVDIFAEGEKIDATGTSKGKGTQGVMKRWNFAGGPASHGSKKWHRRPGSIGQRKTPGRVYKGKRMAGHMGMERVTVQNLEVVEIRAGENLILVKGAIPGANGGLVVLRSAAKAS-
General information:
TITO was launched using:
RESULT:
Template:
3PIP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -12091 for 1307 contacts (-9.3/contact) +
2D Compatibility (PS) -21357 + (NN) -8659 + (LL) 288
1D Compatibility (HY) -13600 + (ID) 5150
Total energy: -60569.0 ( -46.34 by residue)
QMean score : 0.351
(partial model without unconserved sides chains):
PDB file :
Tito_3PIP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PIP-query.scw
PDB file :
Tito_Scwrl_3PIP.pdb
: