Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGRIQRNKIKVEIKKLSHGKDLPLPCYATMQSAGMDLYAALGNSIVLNPLERLLIPTGIVIVIPNGFEGQIRPRSGLAAKYGITVLNSPGTIDSDYRGEVKVCLINLSNQPYEIKRGDRIAQI----LIAPVFRVIWDDAERLCTEETERSAGGFGSSGR
3C3I Chain:B ((6-137))
------------VKKLVESATTPMR--GSEGAAGYDISSV--EDVVVPAMGRIAVSTGISIRVPDGTYGRIAPRSGLAYKYGIDVL--AGVIDSDYRGEVKVILYNTTERDYIIKKGDRIAQLILEQIVTPGVAVVLD------LSDTARGSGGFG----
General information:
TITO was launched using:
RESULT:
Template:
3C3I.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -58562 for 785 contacts (-74.6/contact) +
2D Compatibility (PS) -14262 + (NN) -6812 + (LL) 1528
1D Compatibility (HY) -11600 + (ID) 3050
Total energy: -92758.0 ( -118.16 by residue)
QMean score : 0.378
(partial model without unconserved sides chains):
PDB file :
Tito_3C3I.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3C3I-query.scw
PDB file :
Tito_Scwrl_3C3I.pdb
: