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:E ((2-250))
-SMHKALTIAGSDSSGGAGIQADLKTFQEKNVYGMTALTVIVAMDPNNSWNHQVFPIDTDTIRAQLATITDGIGVDAMKTGMLPTVDIIELAAKTIKEKQLKNVVIDPVMVCKGANEVLYPEHAQALREQLA---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) -145796 for 2142 contacts (-68.1/contact) +
2D Compatibility (PS) -25940 + (NN) -10752 + (LL) 616
1D Compatibility (HY) -16800 + (ID) 4700
Total energy: -203372.0 ( -94.94 by residue)
QMean score : 0.618
(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
: