Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGHSNKAADRNSHESRKSYMVNLFGDQWKKANQIYQQYLDNALLQNITLNQGVEKMLQTLKSHNIYLAIVSNKKNINLREEVTYFKLDSYFKRVVGSCDTAEDKPSAIPLLFALEESRLPIDRENVFFVGDSITDILCAQNANCLPIIYGQPISG------YEDLLCFQHFDKLTDFIMKYLKDR
3MC1 Chain:A ((83-217))
--------------------------------------------FENKVYDGIEALLSSLKDYGFHLVVATSKPTVFSKQILEHFKLAFYFDAIVGSSLDGKLSTKEDVIRYAMESLNIKS-D-DAIMIGDREYDVIGALKNNLPSIGVTYGFGSYEELKNAGANYIVNSVDELHKKILEL----
General information:
TITO was launched using:
RESULT:
Template:
3MC1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80016 for 944 contacts (-84.8/contact) +
2D Compatibility (PS) -14258 + (NN) -8097 + (LL) 2992
1D Compatibility (HY) -8000 + (ID) 1300
Total energy: -108679.0 ( -115.13 by residue)
QMean score : 0.367
(partial model without unconserved sides chains):
PDB file :
Tito_3MC1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MC1-query.scw
PDB file :
Tito_Scwrl_3MC1.pdb
: