Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTPIISIIMGSKSDWGTMQKTAEVLDNFGIAYEKKVVSAHRAPDLMFKHAEEARGRGIKIIIAGAGGAAHLPGMVAAKTTLPVIGVPVKTRALSGLDSLYSIVQMPGGVPVATMAIGEAGATNAALTALRILSIEDQNLADALAHFHEEQGKIAEESSNELI-----------
1O4V Chain:A ((14-182))
---PRVGIIMGSDSDLPVMKQAAEILEEFGIDYEITIVSAHRTPDRMFEYAKNAEERGIEVIIAGAGGAAHLPGMVASITHLPVIGVPVKTSTLNGLDSLFSIVQMPGGVPVATVAIN--NAKNAGILAASILGIKYPEIARKVKEYKERMKREVLEKAQRLEQIGYKEYLNQK
General information:
TITO was launched using:
RESULT:
Template:
1O4V.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -125444 for 1298 contacts (-96.6/contact) +
2D Compatibility (PS) -17649 + (NN) -9742 + (LL) 572
1D Compatibility (HY) -16400 + (ID) 4500
Total energy: -173163.0 ( -133.41 by residue)
QMean score : 0.573
(partial model without unconserved sides chains):
PDB file :
Tito_1O4V.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1O4V-query.scw
PDB file :
Tito_Scwrl_1O4V.pdb
: