Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSYDVVIPAAGQGKRMKAGRNKLFIELKGDPVIIHTLRVFDSHRQCDKIILVINEQEREHFQQLLSDYPFQTSIELVAGGDERQHSVYKGLKAVK-QEKIVLVHDGARPFIKHEQIDELIAEAEQTGAAILAVPVKDTIKRVQ-DLQVSETIERSSLWAVQTPQAFRLSLLMKAHAEAERKGFLGTDDASLVEQMEGGSVRVVEGSYTNIKLTTPDDLTSAEAIMESESGNKHV
2YC3 Chain:A ((3-226))
KSVSVILLAGGQG-------PKQYIPLLGQPIALYSFFTFSRMPEVKEIVVVCDPFFRDIFEEYEESIDV-D-LSFAIPGKERQDSVYSGLQEIDVNSELVCIHDSARPLVNTEDVEKVLKDGSAVGAAVLGVPAKATIKEVNSDSLVVKTLDRKTLWEMQTPQVIKPELLKKGFELVKSEGLEVTDDVSIVEYLK-HPVYVSQGSYTNIKVTTPDDLLLAERILSE-------
General information:
TITO was launched using:
RESULT:
Template:
2YC3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -126192 for 1703 contacts (-74.1/contact) +
2D Compatibility (PS) -23483 + (NN) -10043 + (LL) 552
1D Compatibility (HY) -19600 + (ID) 4050
Total energy: -182816.0 ( -107.35 by residue)
QMean score : 0.512
(partial model without unconserved sides chains):
PDB file :
Tito_2YC3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2YC3-query.scw
PDB file :
Tito_Scwrl_2YC3.pdb
: