Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSYDVVIPAAGQGKRMKAGRNKLFIELKGDPVIIHTLRVFDSHRQCDKIILVINEQEREHFQQLLSDYPFQTSIELVAGGDERQHSVYKGLKAVK-QEKIVLVHDGARPFIKHEQIDELIAEAEQTGAAILAVPVKDTIKRVQ-DLQVSETIERSSLWAVQTPQAFRLSLLMKAHAEAERKGFLGTDDASLVEQMEGGSVRVVEGSYTNIKLTTPDDLTSAEAIMESESGNKHV
4NAI Chain:A ((4-226))
-SVSVILLAG----------PKQYIPLLGQPIALYSFFTFSRMPEVKEIVVVCDPFFRDIFEEY--EESIDVDLRFAIPGKERQDSVYSGLQEIDVNSELVCIHDSARPLVNTEDVEKVLKDGSAVGAAVLGVPAKATIKEVNSDSLVVKTLDRKTLWEMQTPQVIKPELLKKGFELVKSEGLEVTDDVSIVEYLK-HPVYVSQGSYTNIKVTTPDDLLLAERILSE-------
General information:
TITO was launched using:
RESULT:
Template:
4NAI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -126396 for 1708 contacts (-74.0/contact) +
2D Compatibility (PS) -23168 + (NN) -9747 + (LL) 592
1D Compatibility (HY) -19600 + (ID) 3900
Total energy: -182219.0 ( -106.69 by residue)
QMean score : 0.506
(partial model without unconserved sides chains):
PDB file :
Tito_4NAI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NAI-query.scw
PDB file :
Tito_Scwrl_4NAI.pdb
: