Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNTKFPDGFMWGGATAANQFEGGYNLGGKGLACADLFTGGTHTEPRRITAQLEESTFYPSHE-----AVDFYHHYKEDIKLMAEAGFKVFRMSINWTRIFPTGKEAEPNEEGLQFYEDVFNELKKHQIEPLVTIAHFDIPLALTNEVNGWASRDLIDYYLHFCEVIFKRYKHLVKHWLTFNEINTATMEIGNYLSLGIRHAEGDFLHQKDDPKVRYQALHHQFVASAKAVKLGHSINPDFMIGCMIAYMPRYPRTCEPSDVLLAKQTEAMHSHFCGDVHVKGYYPFYAKTFFKDNGIELEFDPEDEQILREGTVDFYTFSYYLTLCASNDPAYKNSGKSVIGGAENPYLKTNDWGMQTDPVGLRIALNDLYTRYNIPLMVVENGLGAFDKLEDDG----TINDPYRIDYFKEHILQMHKAIQDGVDLIGFTIWGCIDLVSASTGEMAKRYGIIYVDKYDDGTGDYSRKKKASYYWYKDVISSNGEIGLEE |
4IPN Chain:E ((18-483)) | ---TIFPDDFLWGGAVAANQVEGAYNEDGKGLSVQDVLPKGG----------LGEATENPTEDNLKLIGIDFYHKYKEDISLFSEMGFNVFRTSIAWSRIFPKGDEEEPNEAGLKYYDELFDELHAHGIEPLVTLSHYETPLYLARKYHGWVDRRMIHFYEKFARTVLERYKDKVKYWLTFNEVNSV-------LELPFTSGGIDIPKENLSKQELYQAIHHELVASSLVTKIAREINSEFKVGCMVLAMPAYPMTPNPKDVWATHEYENLNYLFS-DVHVRGYYPNYAKRYFKENDINIEFAAEDAELLKNYTVDFLSFSYYMSVTQSALPTQYNSG-----GLVNPYLESSEWGWQIDPIGLRIILNRYYDRYQIPLFIVENGLGAKDQLIKDELNNLTVQDDYRIQYMKEHLLQVAEALQDGVEIMGYTSWGCIDCVSMSTAQLSKRYGLIYVDRNDDGSGTLNRYKKMSFTWYKEVIESNGE----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4IPN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -233081 for 3946 contacts (-59.1/contact) +
2D Compatibility (PS) -47793 + (NN) -17177 + (LL) 1792
1D Compatibility (HY) -47200 + (ID) 11800
Total energy: -355259.0 ( -90.03 by residue)
QMean score : 0.528
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