Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDSTLKHLAIIMDGNGRWAKLKNKARAYGHKKGVKTLKDITIWCANHKLECLTLYAFSTENWKRPKSEVDFLMKMLKKYLKDERSTYLDNNIRFRAIGDLEGFSKELRDTILRLENDTRYFKDFTQVLALNYGSKNELSRAFKSLLENPPNHINNIESL-ENEISHRLDTHDLPEVDLLLRTGGEMRLSNFLLWQSSYAELFFTPILWPDFTPKDLENIISDFYKRVRKFGELKC
4H8E Chain:A ((26-253))
-----EHIAIIMDGNGRWAKKRKMPRIKGHYEGMQTIKKITRIASDIGVKYLTLYAFSTENWSRPESEVNYIMNLPVNFLKTFLPELIEKNVKVETIGFTDKLPKSTIEAINNAKEKTANNTGLKLIFAINYGGRAELVHSIKNMFDELHQQGLNSDIIDETYINNHLMTKDYPDPELLIRTSGEQRISNFLIWQVSYSEFIFNQKLWPDFDEDELIKCIKIYQSRQRRFGGL--
General information:
TITO was launched using:
RESULT:
Template:
4H8E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -97724 for 1764 contacts (-55.4/contact) +
2D Compatibility (PS) -23470 + (NN) -5050 + (LL) 452
1D Compatibility (HY) -18400 + (ID) 4450
Total energy: -148642.0 ( -84.26 by residue)
QMean score : 0.492
(partial model without unconserved sides chains):
PDB file :
Tito_4H8E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4H8E-query.scw
PDB file :
Tito_Scwrl_4H8E.pdb
: