Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKLIAIDMDGTLLNDEKKIPKENIQAIKEATQAGIKIVLCTGRPMSGILPYFNELGLTKE-EYIIMNNGCSTYSTKDWQLIDSATLTHDELIFLEEVVKEFPNVCLTLTAENTFYAVGEEVPEIVAYDA-----DLVFTKAKSTSLDALRNQEEIVFQAMYMGLDADVTAFQEAVEEALISKFSGVRSQDYIYEIMPQGVTKARGLKSLIAKLGLDINQVMAIGDAPNDIELLDLVPNSVAMGNASDEIKSRCKYITVDNNKAGVAKAIYDYALR
1RKQ Chain:A ((5-271))
-IKLIAIDMDGTLLLPDHTISPAVKNAIAAARARGVNVVLTTGRPYAGVHNYLKELHMEQPGDYCITYNGALVQKAADGSTVAQTALSYDDYRFLEKLSREVGSHFHALD-RTTLYTANRDISYYTVHESFVATIPLVFCEAEK--MDPNTQFLKVMMIDEPAILDQAIARIPQEVKE----KYTVLKSAPYFLEILDKRVNKGTGVKSLADVLGIKPEEIMAIGDQENDIAMIEYAGVGVAVDNAIPSVKEVANFVTKSNLEDGVAFAIEKYVLN
General information:
TITO was launched using:
RESULT:
Template:
1RKQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -177360 for 2308 contacts (-76.8/contact) +
2D Compatibility (PS) -28276 + (NN) -10321 + (LL) 872
1D Compatibility (HY) -19600 + (ID) 4300
Total energy: -238985.0 ( -103.55 by residue)
QMean score : 0.579
(partial model without unconserved sides chains):
PDB file :
Tito_1RKQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1RKQ-query.scw
PDB file :
Tito_Scwrl_1RKQ.pdb
: