Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNAQAEEFKKYLETNGIKPKQFHKKELIFNQWDPQEYCIFLYDGITKLTSISENGTIMNLQYYK-GAFVIMSGFIDTETSVGYYNLEVISEQATAYVIKINELKELLSKNLTHFFYVFQTLQKQVSYSLAKFNDFSINGKLGSICGQLLILTYVYGKETPDGIKITLDNLTMQELGYSSGIAHSSAVSRIISKLKQEKVIVYKNSCFYVQNLDYLKRYAPKLDEWFYLACPATWGKLN
3I54 Chain:A ((39-248))
---VEPSAIAA------QPVDFPRGHTVFAEGEPGDRLYIIISGKVKIGRRAPDGRENLLTIMGPSDMFGELSIFDPG-P-RTSSATTITE-VRAVSMDRDALRSWIADRPEISEQLLRVLARRLRRTNNNLADLIFTDVPGRVAKQLLQLAQRFGTQEG-GALRVTHDLTQEEIAQLVGASR-ETVNKALADFAHRGWIRLEGKSVLISDSERLARRA-------------------
General information:
TITO was launched using:
RESULT:
Template:
3I54.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -116593 for 1471 contacts (-79.3/contact) +
2D Compatibility (PS) -21497 + (NN) -2769 + (LL) 1900
1D Compatibility (HY) -2400 + (ID) 1550
Total energy: -142909.0 ( -97.15 by residue)
QMean score : 0.490
(partial model without unconserved sides chains):
PDB file :
Tito_3I54.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3I54-query.scw
PDB file :
Tito_Scwrl_3I54.pdb
: