Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKYDFKNVEKFYQDRWD---FSIGKN--NEQGKCYVLEMFPYPSGKIHMGHLRNYVIGDVIARYKRACGFEVLHPIGWDAFGLPAENAARDNNVNPAAWTKENIDNMRAQLKSIGLSYNWERELSTCEADYYKHEQKFFLDFLKQGLVYRKKSWVNWDPIDQTVLANEQVVDGKGWR-SGAIVEKRELSQWFLKITDFAEDLLECLQGLENWPEKVKMMQDRWIGKSEGVTIEFKIVGLNKKLKVFTTCPHTLFGASFCAVAIEHPIVQDLMSKEIQDLI----------SSIKIQGKNNEKVGIYTGLNVKHPFLDKELPLYVANFVLMEYREGAIFGCPAHDQRDFEFAQEYDLPIIPVISSARLGIIPACDQGSYTGSQCQATRMADGLNEEYTNNSIMFNSEFLNGLTVSEARKVIVEKLEEKGIGKKTINYRLHDWGVSRQRYWGCPIPVIYCKNCGTVPVPEEDLPVTLPTDVDF----TSGGNPLDKHPTWKFVNCPKCKEQAERETDTFDTFFESSWYFAAFCSENKS---IDKNACNRFMPVDYYIGGIEHAILHLLYSRFFCRALTKCGYFNVKEPFSTLITQGMVCHVT--------------YKDKNGKWLFPEEAKRL---ITQGAKIQ--------VGKVEKMSKSKKNTVDPNFIIEKYGADTARLFVLSDTPPEKDMEWSNDGVEGCSRYINKLWRMVMQFKPVVILNQSPVKQVADTEIQKEDMLSHAGMIPDKNVTGKFLGYRKKIHKLLHGLTDDLENCRLNCVVAKFREMTNLIAEIDV-KTGKSLINEGICILIRVVEPFIPHLAESLWREIGGEGMLYLQPWPKAAKSLLIDDVVTVAVQINGKLRATIEVAINLHQEELKQIAINSVSNRVDQSKVRAVYAVSNKIVNIVT |
1H3N Chain:A ((3-814)) | -KYNPHAIEAKWQRFWEEKGFMKAKDLPGGRGKQYVLVMFPYPSGDLHMGHLKNYTMGDVLARFRRMQGYEVLHPMGWDAFGLPAENAALKFGVHPKDWTYANIRQAKESLRLMGILYDWDREVTTCEPEYYRWNQWIFLKMWEKGLAYRAKGLVNWCPKCQTVLANEQVVEGRCWRHEDTPVEKRELEQWYLRITAYAERLLKDLEGL-NWPEKVKAMQRAWIGRSEGAEILFPVEGKEVRIPVFTTRPDTLFGATFLVLAPEHPLTLELAAPEKREEVLAYVEAAKRKTEIERQAEGREKTGVFLGAYALNPATGERIPIWTADYVLFGYGTGAIMAVPAHDQRDYEFARKFGLPIKKVIERP-------------------GEPLPEPLERAYEEPGIMVNSGPFDGTESEEGKRKVIAWLEEKGLGKGRVTYRLRDWLISRQRYWGTPIPMVHCEACGVVPVPEEELPVLLPDLKDVEDIRPKGKSPLEAHPEFYETTCPKCGGPAKRDTDTMDTFFDSSWYYLRYTDPHNDRLPFDPEKANAWMPVDQYIGGVEHAVLHLLYSRFFTKFLHDLGMVKVEEPFQGLFTQGMVLAWTDFGPVEVEGSVVRLPEPTRIRLEIPESALSLEDVRKMGAELRPHEDGTLHLWKPAVMSKSKGNGVMVGPFVKEQGADIARITILFAAPPENEMVWTEEGVQGAWRFLNRIYRRVAE--------------------DREALLETSGVFQAEALEGKDRELYGKLHETLKKVTEDLEALRFNTAIAALMEFLNALYEYRKDRPVTPVYRTAIRYYLQMLFPFAPHLAEELWHWFWPDS-LFEAGWPELDEKALEK------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1H3N.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -418021 for 6442 contacts (-64.9/contact) +
2D Compatibility (PS) -81468 + (NN) -28354 + (LL) 8712
1D Compatibility (HY) -64000 + (ID) 17100
Total energy: -600231.0 ( -93.17 by residue)
QMean score : 0.479
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