Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAFKLPNLPYAYDALEPYIDQRTMEFHHDKHHNTYVTKLNATVEGTELEHQSLADMIANLDKVPEAMRMSVRNNGGGHFNHSLFWEILSPNS--EEKGGVIDDIKAQWGTLDEFKNEFANKATTLFGSGWTWLVVN-DGKLEIVTTPNQDNPLTEGKTPILLFDVWEHAYYLKYQNKRPDYMTAFWNIVNWKKVDELYQAAK
2NYB Chain:A ((1-191))
-SFELPALPYAKDALAPHISAETIEYHYGKHHQTYVTNLNNLIKGTAFEGKSLEEIIR-------SSEGGVFNNAAEVWNHTFYWNCLAPNAGGEPTGKVAEAIAASFGSFADFKAQFTDAAIKNFGSGWTWLVKNSDGKLAIVSTSNAGTPLTTDATPLLTVDVWEHAYYIDYRNARPGYLEHFWALVNWEFVAKNLA---
General information:
TITO was launched using:
RESULT:
Template:
2NYB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -72860 for 1490 contacts (-48.9/contact) +
2D Compatibility (PS) -19318 + (NN) -1638 + (LL) 800
1D Compatibility (HY) -18800 + (ID) 4600
Total energy: -116416.0 ( -78.13 by residue)
QMean score : 0.529
(partial model without unconserved sides chains):
PDB file :
Tito_2NYB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NYB-query.scw
PDB file :
Tito_Scwrl_2NYB.pdb
: