Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
AFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN
4JR2 Chain:A ((3-249))
---------ATYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRG---------------------------------KIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFS----
General information:
TITO was launched using:
RESULT:
Template:
4JR2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -170505 for 1828 contacts (-93.3/contact) +
2D Compatibility (PS) -23828 + (NN) -6212 + (LL) 2792
1D Compatibility (HY) -16000 + (ID) 4600
Total energy: -218353.0 ( -119.45 by residue)
QMean score : 0.441
(partial model without unconserved sides chains):
PDB file :
Tito_4JR2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JR2-query.scw
PDB file :
Tito_Scwrl_4JR2.pdb
: