Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNIIIIGAQASGKMTIGQEIAKQTGMTLFHNHDSIDFVLRF-M-PW-SPDSIALTESIRFKFFETFAKTGQK-MIFTIVIDFNDSRDVVFLEKIQTVFQSHNQEVLFVELETELSERLKRNRTENRLKHKPSKRD----IKWSENDICLTMDYAIFNPEVAPEALTYYHKINNTCLTATETAYLIIQKINQIKEKN
3VAA Chain:A ((28-195))
--IFLTGYMGAGKTTLGKAFARKLNVPFIDLDWYIEERFHKTVGELFTERGEAGFRELERNMLHEVAE-FENVVISTGGGAPC---FYDNM----EFMN---RTGKTVFLNVHPDVLFRRLRIAKQQRPILQGKEDDELMDFIIQALEKRAPFY----------TQAQYIFNADELEDRWQIESSVQRLQELLEL-
General information:
TITO was launched using:
RESULT:
Template:
3VAA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -87799 for 1212 contacts (-72.4/contact) +
2D Compatibility (PS) -16995 + (NN) -3589 + (LL) 1472
1D Compatibility (HY) -1200 + (ID) 950
Total energy: -109061.0 ( -89.98 by residue)
QMean score : 0.396
(partial model without unconserved sides chains):
PDB file :
Tito_3VAA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VAA-query.scw
PDB file :
Tito_Scwrl_3VAA.pdb
: