Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRPLLFSALLLLSGHTQASEWNDSQAVDKLFGAAGVKGTFVLYDVQRQRYVGHDRERAETRFVPASTYKVANSLIGLSTGAVRSADEVLPYGGKPQRFKAWEHDMSLRDAIKASNVPVYQELARRIGLERMRANVSRLGYGNAEIGQVVDNFWLVGPLKISAMEQTRFLLRLAQGELPFPAPVQSTVRAMTLLESGPGWELHGKTGWCFDCTPELGWWVGWVKRNERLYGFALNIDMPGGEADIGKRVELGKASLKALGILP
4S2N Chain:D ((24-265))
-------------------EWQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTFKIPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSTRIEPKIGWWVGWVELDDNVWFFAMNMDMPTSDG-LGLRQAITKEVLKQEKIIP
General information:
TITO was launched using:
RESULT:
Template:
4S2N.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138765 for 2086 contacts (-66.5/contact) +
2D Compatibility (PS) -26028 + (NN) -12814 + (LL) 1528
1D Compatibility (HY) -20000 + (ID) 4450
Total energy: -200529.0 ( -96.13 by residue)
QMean score : 0.531
(partial model without unconserved sides chains):
PDB file :
Tito_4S2N.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4S2N-query.scw
PDB file :
Tito_Scwrl_4S2N.pdb
: