Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIAGSMVALVTPFDAQGRLDWDSLAKLVDFHLQEGTNAIVAVGTTGESATLDVEEHIQVIRRVVDQVKGRIPVIAGTGANSTREAVALTEAAKSGGADACLLVTPYYNKPTQEGMYQHFRHIAEAVAIPQILYNVPGRTSCDMLPETVERLS-KVPNIIGIKEATGDLQRAKEVIERVGKDFLVYSGDDATAVELMLLGGKGNISVTANVAPRAMSDLCAAAMRGDAAAARAINDRLMPLHKALFIESNPIPVKWALHEMGLIPEG-IRLPLTWLSPRCHEPLRQAMRQTGVLA
3SI9 Chain:A ((22-313))
MLKGAVTALITPFDDNGAIDEKAFCNFVEWQITQGINGVSPVGTTGESPTLTHEEHKRIIELCVEQVAKRVPVVAGAGSNSTSEAVELAKHAEKAGADAVLVVTPYYNRPNQRGLYTHFSSIAKAISIPIIIYNIPSRSVIDMAVETMRDLCRDFKNIIGVKDATGKIERASEQREKCGKDFVQLSGDDCTALGFNAHGGVGCISVSSNVAPKLCAQLHAACLCSDYKTALKLNDLLMPLNRAVFIEPSPAGIKYAAAKLGLC-GTIVRSPIVPLSDTTKKIIDEALYHAGLLK
General information:
TITO was launched using:
RESULT:
Template:
3SI9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -195405 for 2669 contacts (-73.2/contact) +
2D Compatibility (PS) -32581 + (NN) -21537 + (LL) -140
1D Compatibility (HY) -25200 + (ID) 6700
Total energy: -281563.0 ( -105.49 by residue)
QMean score : 0.610
(partial model without unconserved sides chains):
PDB file :
Tito_3SI9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SI9-query.scw
PDB file :
Tito_Scwrl_3SI9.pdb
: