Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNYELVFLAAGQGKRMNAQKNKMWLELVGEPIFIHALRPFLADNRCSKVIVVCQEEERKHVKELMSQLNVAEHRIEIVKGGSERQYSVAAGLERCG-TGRVVLVHDGARPFITLDIIDRLLIGVEQSKAAICAVKVKDTVKRV-MNGVVQETVDRENLWQVQTPQAFELPILRKAHQLARKEQFLGTDEASLVERIPCPVAIVQGSYYNIKLTTPEDMPLAKAILGELGGIAND
4NAN Chain:A ((7-224))
----VILLAG----------PKQYIPLLGQPIALYSFFTFSRMPEVKEIVVVCDPFFRDIFEEYEESIDV---DLSFAIPGKERQDSVYSGLQEIDVNSELVCIHDSARPLVNTEDVEKVLKDGSAVGAAVLGVPAKATIKEVNSDSLVVK-----TLWEMQTPQVIKPELLKKGFELVKSEGLEVTDDVSIVEYLKHPVYVSQGSYTNIKVTTPDDLLLAERIL---------
General information:
TITO was launched using:
RESULT:
Template:
4NAN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -184929 for 1540 contacts (-120.1/contact) +
2D Compatibility (PS) -21431 + (NN) -1486 + (LL) 1340
1D Compatibility (HY) -18400 + (ID) 3450
Total energy: -228356.0 ( -148.28 by residue)
QMean score : 0.510
(partial model without unconserved sides chains):
PDB file :
Tito_4NAN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NAN-query.scw
PDB file :
Tito_Scwrl_4NAN.pdb
: