Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)


Input alignment information:
Query sequenceMNLFEKMTDQLHETLDSAIALALHHKNAEVTPMHMLFAMLNNSQGILIQALQKMPVDIEALKLSVQSELNKFAKVSQISKQNIQLNQALIQSLENAQGLMAKRGDSFIATDAYLLANMNLFESVLKPYLDTKELQKTLESLRKGRTIQDKNDDSNLESLEKFGIDLTQKALENKLDPVIGRDEEIIRMMQILIRKTKNNPILLGEPGVGKTAVVEGLAQRIVNKEVPKTLLNKRVVALDLSLLVAGAKYRGEFEERLKKVIEEVKKS-ANVILFIDEIHTIVGAGASEGGMDAANILKPALARGELHTIGATTLKEYRKYFEKDMALQRRFQPILLNEPSINEALQILRGLKETLETHHNITINDSALIASAKLSSRYITDRFLPDKAIDLIDEGAAQLKMQMESEPAKLSSVKRSIQRLEMEKQALEMENKESNHKRMQEILKELSDLKEEKIQLEAQFENEKEVFKEISRLKMEMEGLKKEAERFKRNGDYQQAAEIEYSKIPEKEKKEKELQHKWETMQQNGALLQNALTENNIAEIVSQWTHIPVQKMLQSEKNRVLNIESELQKRVVGQEKALKAIAKAIKRNKAGLSDSNKPIGSFLFLGPTGVGKTESAKALAQFLFDSDKNLIRIDMSEYMEKHAISRLIGAAPGYVGYEEGGQLTEAVRRKPYSVVLLDEVEKAHPDVFNLLLQVLDEGHLTDSKGVRVDFKNTILILTSNVASGALLEEDLSEADKQKAIKESLRQFFKPEFLNRLDEIISFNALDSHAIINIVGILFENVQKKALERGINITLDEKAKELIAEAGFDRFYGARPLKRALYEMVEDKLAELILEDKIKENDSVAFVVENNEIVPKIK
4HSE Chain:A ((14-395))------------------------------------------------------------------------------------------------------------------------------------------------------------NALEQYGIDLTRLAAEGKLDPVIGRDEEIRRVIQILLRRTKNNPVLIGEPGVGKTAIVEGLAQRIVKGDVPEGLKGKRIVSLQMGSLLAGAKYRGEFEERLKAVIQEVVQSQGEVILFIDELHTVVGA------VDAGNMLKPALARGELRLIGATTLDEYRE-IEKDPALERRFQPVYVDEPTVEETISILRGLKEKYEVHHGVRISDSAIIAAATLSHRYITERRLPDKAIDLIDEAAARLRMALESAPEEIDALERKKLQLEIEREAL-------SQERLKAIEAEIAKLTEEIAKLRAEWEREREILRKLREAQHRLDEVRREIELAERQYDLNRAAELRYGELPKLEAEVEALSEKL----RGARFVRLEVTEEDIAEIVSR--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4HSE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output 		3D Compatibility (PKB) -99754 for 2809 contacts (-35.5/contact) +
2D Compatibility (PS) -41453 + (NN) -25286 + (LL) 37632
1D Compatibility (HY) -37600 + (ID) 10150
Total energy: -176611.0 ( -62.87 by residue)
QMean score : 0.582

(partial model without unconserved sides chains):
PDB file : Tito_4HSE.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4HSE-query.scw
PDB file : Tito_Scwrl_4HSE.pdb: