Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLTTQFYTMLAMSGMGLWLGASLDTYRLFVIRAKTARWLLFIHDILFWIMQGLLFFYVLLHVNEGEFRIYIFLAVLLGVATYQSL-----CKRIYIKILKFVIYLVVSVYQFFKKL--------------------IQHVLFRPIVWTCGAIIWLAAF------LF--KKTYSLIGFLLLCLYKIVMVLCFPIRFIAKQCLKLLPVKMRLTFRRYFEKGAGFLKKKKKL--LITIRTTITRFLKR---------
4E1S Chain:A ((1-242))
----QHYGTAEVNLQSGNNFDGSSLDFLLPFYDSEK---------MLAFGQVGARYIDSRFTANLGAGQRFFLPANMLGYNVFIDQDFSGDNTRLGIGGEYWRDYFKSSVNGYFRMSGWHESYNKKDYDERPANGFDIRFNGYLPSYPALGAKLIYEQYYGDNVALFNSDKLQSNPGAATVGVNYTPIPLVTMGIDYRHGTGNENDLLYSMQFRYQFDKSWSQQIEPQYVNELRTLSGSRYDLVQRNNNIILEYK
General information:
TITO was launched using:
RESULT:
Template:
4E1S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -207491 for 1427 contacts (-145.4/contact) +
2D Compatibility (PS) -20964 + (NN) 13365 + (LL) 1544
1D Compatibility (HY) 3200 + (ID) 1700
Total energy: -212046.0 ( -148.60 by residue)
QMean score : -0.021
(partial model without unconserved sides chains):
PDB file :
Tito_4E1S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4E1S-query.scw
PDB file :
Tito_Scwrl_4E1S.pdb
: