Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNLFEKMTDQLHETLDSAI--ALALHHKNAEVTPMHMLFAMLNNSQGILIQALQKMPVDIEALKLSVQSELNKFAKVSQISKQNIQLNQALIQSLENAQGLMAKRGDSFIATDAYLLANMNLFESVLKPYLDT------KELQKTLESL---RKGRTIQDKNDDSNLESLEKFGIDLTQKALENKLDPVIGRDEEIIRMMQILIRKTKNNPILLGEPGVGKTAVVEGLAQRIVNKEVPKTLLNKRVVALDLSLLVAGAKYRGEFEERLKKVIEEVKKSANVILFIDEIHTIVGAGASEGGMDAANILKPALARGELHTIGATTLKEYRKYFEKDMALQRRFQPILLNEPSINEALQILRGLKETLETHHNITINDSALIASAKLSSRYITDRFLPDKAIDLIDEGAAQLKMQMESEPAKLSSVKRSIQRLEMEKQALEMENKESNHKRMQEILKELSDLKEEKIQLEAQFENEKEVFKEISRLKMEMEGLKKEAERFKRNGDYQQAAEIEYSKIPEKEKKEKELQHKWETMQQNGALLQNALTENNIAEIVSQWTHIPVQKMLQSEKNRVLNIESELQKRVVGQEKALKAIAKAIKRNKAGLSDSNKPIGSFLFLGPTGVGKTESAKALAQFLFDSDKNLIRIDMSEYMEKHAISRLIGAAPGYVGYEEGGQLTEAVRRKPYSVVLLDEVEKAHPDVFNLLLQVLDEGHLTDSKGVRVDFKNTILILTSNVASGALLEEDLSEADKQKAIKESLRQFFKPEFLNRLDEIISFNALDSHAIINIVGILFENVQKKALERGINITLDEKAKELIAEAGFDRFYGARPLKRALYEMVEDKLAELILEDKIKENDSVAFVVENNEIVPKIK |
3PXI Chain:A ((3-804)) | ---FGRFTERAQKVLALAQEEALRLGHNN--IGTEHILLGLVREGEGIAAKALQALGLGSEKIQKEVESLIGRGQEMSQTIHYTPRAKKVIELSMDEARKL----GHSYVGTEHILLGLIREGEGVAARVLNNLGVSLNKARQQVLQLLGSNETGS-----NSNANTPTLDSLARDLTAIAKEDSLDPVIGRSKEIQRVIEVLSRRTKNNPVLIGEPGVGKTAIAEGLAQQIINNEVPEILRDKRVMTL---------------EDRLKKVMDEIRQAGNIILFID------------A--------KPSLARGELQCIGATTLDEYRKYIEKDAALERRFQPIQVDQPSVDESIQILQGLRDRYEAHHRVSITDDAIEAAVKLSDRYISDRFLPDKAIDLIDEAGSKVRLRSFT--PNLKELEQKLDEVRKEKDA-AVQSQE---------FEKAASLRDTEQRLREQVEDTKKSWKE-------------------KQG--QE---VTVDDI---------------------------------AMVVSSWT-------AQTETDKLLNMENILHSRVIGQDEAVVAVAKAVRRARAGLKDPKRPIGSFIFLGPTGVGKTELARALAESIFGDEESMIRIDMSEYMEKHSTS-----------------LTEKVRRKPYSVVLLDAIEKAHPDVFNILLQVLEDGRLT-----TVDFRNTILIMTSNVGA--------SEKDK---VMGELKRAFRPEFINRIDEIIVFH--EKKHLTEIVSLMSDQLTKRLKEQDLSIELTDAAKAKVAEEGVDLEYGARPLRRAIQKHVEDRLSEELLRGNIHKGQHIVLDVEDGEFVVKTT |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3PXI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -242381 for 5313 contacts (-45.6/contact) +
2D Compatibility (PS) -74797 + (NN) -32462 + (LL) 11980
1D Compatibility (HY) -59600 + (ID) 16550
Total energy: -413810.0 ( -77.89 by residue)
QMean score : 0.537
|
|
|