Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTRNVLAISGNDIFSGGGLHADLATYVVNKLHGFVAVTCLTAM---SDKGFEVIPIEASILKQQLESLKD-VEFGSIKLGLLPNVETAQVVLEFVKSKQECPVVLDPVLVCKENHDL----EVSQLREQLIAFFPYADVITPNLVEAQLLTGL-SIENLDQMKIAAEKLYDMGAKHVVIKGGNRLNAEEATDLYYDGERFETYVFPVVDANNT-GAGCTFASSIASQLAMGKNVEDAVKMSKGFVYQAIKASDKYGVVQHF
2I5B Chain:A ((3-250))
--MHKALTIAGSDSSGGAGIQADLKTFQEKNVYGMTALTVIVAMDPNNSWNHQVFPIDTDTIRAQLATITDGIGVDAMKTGMLPTVDIIELAAKTIKEKQLKNVVIDPVMVCKGANEVLYPEHAQALREQLA---PLATVITPNLFEASQLSGMDELKTVDDMIEAAKKIHALGAQYVVITGGGKLKHEKAVDVLYDGETAEVLESEMIDTPYTHGAGCTFSAAVTAELAKGAEVKEAIYAAKEFITAAIKESFPLNQYVGP
General information:
TITO was launched using:
RESULT:
Template:
2I5B.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -144918 for 2121 contacts (-68.3/contact) +
2D Compatibility (PS) -25921 + (NN) -11436 + (LL) 680
1D Compatibility (HY) -16800 + (ID) 4700
Total energy: -203095.0 ( -95.75 by residue)
QMean score : 0.605
(partial model without unconserved sides chains):
PDB file :
Tito_2I5B.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2I5B-query.scw
PDB file :
Tito_Scwrl_2I5B.pdb
: