Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSYDVVIPAAGQGKRMKAGRNKLFIELKGDPVIIHTLRVFDSHRQCDKIILVINEQEREHFQQLLSDYPFQTSIELVAGGDERQHSVYKGLKAVK-QEKIVLVHDGARPFIKHEQIDELIAEAEQTGAAILAVPVKDTIKRVQ-DLQVSETIERSSLWAVQTPQAFRLSLLMKAHAEAERKGFLGTDDASLVEQMEGGSVRVVEGSYTNIKLTTPDDLTSAEAIMESESGNKHV
4NAK Chain:A ((4-224))
-SVSVILLAGG---------PKQYIPLLGQPIALYSFFTFSRMPEVKEIVVVCDPFFRDIFEEY--EESIDVDLSFAIPGKERQDSVYSGLQEIDVNSELVCIHDSARPLVNTEDVEKVLKDGSAVGAAVLGVPAKATIKEVNSDSLVVK-----TLWEMQTPQVIKPELLKKGFELVKSEGLEVTDDVSIVEYLK-HPVYVSQGSYTNIKVTTPDDLLLAERIL---------
General information:
TITO was launched using:
RESULT:
Template:
4NAK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -124954 for 1614 contacts (-77.4/contact) +
2D Compatibility (PS) -22465 + (NN) -9873 + (LL) 1272
1D Compatibility (HY) -19200 + (ID) 3850
Total energy: -179070.0 ( -110.95 by residue)
QMean score : 0.520
(partial model without unconserved sides chains):
PDB file :
Tito_4NAK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NAK-query.scw
PDB file :
Tito_Scwrl_4NAK.pdb
: