Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTAKEEEKQERFQLLMTQIGLQDVTTYEEFTKDAKIEKLVADKKNKTWQFHLHVPQIFPAALFHMMDVGMKRAFSQIAETEMQIVPENQTINETLIQDYWNLIVEPIGKQSPMIGKLLMEQKPTFKEPHFIEVAVHNDMEEATIQQRFQTKIIESYGKAGFPRLAMKMHMLDQSETDEYKAFAQAKQEEDQKKAAEAVQVMQKRQAEGQSGGGGAAPLTGPFQIGYKIKDDEEVKRLGDIYDEERRITVQGLIFATEIRELRSGRSLLQFKITDYTSSMIIKMFSRDNEDAAMFQNLKKGMWVKVRGSVQNDTFVRDLIMMAQDVNEIAGVKRLDTAEEKRAELHLHSPMSQMDATSSVDSLFKQAADWGHKAIAITDHSVAQSFPEAYGAGQKYGLKVIFGIEANLIDDGVPIAYNDQHIALEDATYCVFDVETTGLSAVYDTIIELAGVKMKNGEIIDKFEAFIDPGHPLSATTINLTGITDDMVKGSDPIDVVLKRFKEWSGDDILVAHNASFDMGFINTAYEKVGLEKAENAVVDTLELARFLYPHFKNHRLNTLTKKFNIILEQHHRAVFDAEATAYLAWKLIKDAKEMHNIDFHDSLNDYMGEGDAYKRARPFHATIYAQTAVGLKNLFKLITMSNINYFY-RVPRIPRSQLKKLREGLIIGTACSQGELFEAMMQKGMQAAEKVAEFYDFIEVQPKPVYAPLIERELVRDEKALEEILKNIVRVGEKTGKPVVATGNVHYKDPVDKIYRKILIHSQGGAN--PLNR--AELPDVHFRTTDEMLKEFAFLGEEKAKEIVVTNANLVVDWMENLKPIKDELYTPKIDG----AEDEVRNMSYAMAHQLYGEKL---------PEIVEARLEKELKSIIGHGFAVIYLISHKLVKKSLVDGYLVGS-RGSVGSSFVATMTEITEVNPLPPHYLCPNCKDSEFFDDGSVGSGFDLPDKDCPHCGTAYQKEGQDIPFETFLGFKGDKVPDIDLNFSGDYQPVAHAYTKEIFGEDYVFRAGTIGTVAEKTAFGYVRNYER--------------D-MN------------------MTIRGAEIDRLVAGCTGVKRTTGQHPGGIIVIPDYMDVYDFTPVQFPADATDSEWKTTHFDFHSIHD-NVLKLDILGHDDPTAIRMLQDLSG----------IDPKTIPTDDPDVMKLFGSTESLGVKPADIDSKTGTLGIPEFGTRFVRQMLEQTKPTTFSELVQISGLSHGTDV-------WLGNA--EELIKNK-----TCELPDVIG-------CRDDIMVFLI-YQGLESSLAFKIMESVRKGKGLTD-E--------MEEAMMANKVPLWYI----ESCKK-IKYMFPKAHAAAYVLMAVRIAYFKVHYPLYFYATYFTVRADDFDLTSMVNGKEAVKATMKEVNDKGMEASTKEKNLLTVLEIANEMLARGFHFQKVDLYKSSADEFIID-GESLIPPFNAIPSLGTNVAKQIVAARE-NGEFLSKEDLQQRG---KVSKTIIQYMDDQGCLEGLPDQNQLSLF |
2HNH Chain:A ((3-895)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EPRFVHLRVHSDYSMIDGLAKTAPLVKKAAALGMPALAITDFTNLCGLVKFYGAGHGAGIKPIVGADFNVQCDLL----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GDELTHLTVLAANNTGYQNLTLLISKAYQRGYGAAGPIIDRDWLIELNEGLILLSGGRMGDVGRSLLRGNSALVDECVAFYE--EHFPDRYFLELIRTGR----PDEESYLHAAVELAEARGLPVVATNDVRFIDSSDFDAHEIRVAIHDGFTLDDPKRPRNYSPQQYMRSEEEMCELFADI------PEALANTVEIAKRCN-VTVRLGEYFLPQFPTGDMSTEDYLVKRAKEGLEERLAFLFPDEEERLKRRPEYDERLETELQVINQMGFPGYFLIVMEFIQWSKDNGVPVGPGRGSGAGSLVAYALKITDLDPLE-----------------------------------------FDLLFERFLNPERVSMPDFDVDFCMEKRDQVIEHVADMYGRDAVSQIITFGTMAAKAVIRDVGRVLGHPYGFVDRISKLIPPDPGMTLAKAFEAEPQLPEIYEADEEVKALIDMARKLEGVTRNAGKHAGGVVIAPT--KITDFAPLYCDEEG---KHPVTQFDKSDVEYAGLVKFDFLGLRTLTIINWALEMINKRRAKNGEPPLDIAAIPLDDKKSFDMLQRSETTAVF--QLE-SRG-----------MKDLIKRLQPDCFEDMIALVALFRPGPLQSGMVDNFIDRKHGREEISYPDVQWQHESLKPVLEPTYGIILYQEQVMQIAQVLSGYTLGGA----DMLRRAMGKKKPEEMAKQRSVFAEGAEKNGINAELAMKIFDLVEKFAGYGFNKSHSAAYALVSYQTLWLKAHYPAEFMAAVMTADMDNTE-----------------------------K----VVGLVDECWRMGLKILPPDINSGLY-HFHVNDDGEIVYGIGAIKGVGEGPIEAIIEARNKGGYFRELFDLCARTDTKKLNRRVLEKLIMSGAFDRLGPHR----- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2HNH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -361772 for 6677 contacts (-54.2/contact) +
2D Compatibility (PS) -85094 + (NN) -47357 + (LL) 46808
1D Compatibility (HY) -38800 + (ID) 9950
Total energy: -496165.0 ( -74.31 by residue)
QMean score : 0.467
|
|
|