Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKTLPKDFIFGGATAAYQAEGATHTDGKGPVAWDKYLEDNYWYTAEP-----ASDFYHKYPVDLALAEEYGVNGIRISIAWSRIFPTG--YGEVNLKGVEFYHKLFEECHKRHVEPFVTLHHFDTPEALHS--NGDFLNRDNIEHFVNYAAFCFEEFPE-VNYWTTFNEIGPIGDGQYLVGKFPPGIQYDLAK-----------VFQSHHNMMVSHARAVKLYKDK---GYKGEIGVVHALPTKYPLDPENSADVRAAELEDIIHNKFILDATYLGYYSEMTMAGVKHILKENGGELDLREEDFQALEAAKDLNDFLGINYYMSDWMQAFDGETEIIHNGKGEKGSSKYQIKGVGRRVAPDYVPKTDWDWI-IYPQGLYDQIMRVKNDYPNYKKIYITENGLGYKDEFVDNTV------YDDGRIDYVKQHLEVLSEAISDGANVKGYFIWSLMDVFSWSNGYEKRYGLFYVDF-ETQERYPKKSAHWYKQVAKTQIIE |
3PTM Chain:B ((32-501)) | --RSFPKGFIFGTASSSYQYEGGAAEGGRGPSIWDTFTHQHPEKIADRSNGDVASDSYHLYKEDVRLMKDMGMDAYRFSISWTRILPNGSLRGGVNKEGIKYYNNLINELLSKGVQPFITLFHWDSPQALEDKYNG-FLSPNIINDFKDYAEICFKEFGDRVKNWITFNEPWTFCSNGYATGLFAPGRCSPWEKGNCSVGDSGREPYTACHHQLLAHAETVRLYKAKYQALQKGKIGITLVSHWFVPFSRSKSNNDAAKRAIDFMFGWF-MDPLIRGDY-PLSMRGLV------GNRLPQFTKEQSKL--VKGAFDFIGLNYYTANYADNLPPS-----NGLNNSYTTDSRANLTGVRNGIPIGPQAASPWLYVYPQGFRDLLLYVKENYGN-PTVYITENGV---DEFNNKTLPLQEALKDDARIEYYHKHLLSLLSAIRDGANVKGYFAWSLLDNFEWSNGYTVRFGINFVDYNDGRKRYPKNSAHWFKKFLLK---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PTM.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -141294 for 3870 contacts (-36.5/contact) +
2D Compatibility (PS) -46334 + (NN) -16901 + (LL) 2256
1D Compatibility (HY) -28800 + (ID) 8700
Total energy: -239773.0 ( -61.96 by residue)
QMean score : 0.666
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