Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPAIVLIGAQWGDEGKGKATDLLGGRVQWVVRYQGGNNAGHTVVLPTGENFALHLIPSGVLTPGVTNVIGNGVVIDPGVLLNELRGLQDRGVDT-AKLLISADAHLLMPYHIAIDKVTERYMGSKKIGTTGRGIGPCYQDKIARIGIRVADVLDPEQLTHKVEAACEFKNQVLVKIYNRKALDPAQVVDALLEQAEGFKHRIADTRLLLNAALEAGETVLLEGSQGTLLDVDHGTYPYVTSSNPTAGGAAVGSGIGPTRIGTVLGILKAYTTRVGSGPFPTELFDEHGEYLSKTGREFGVTTGRRRRCGWFDAVIARYAARVNGITDYFLTKLDVLSSLESVPVCVGYEI-DGRRTRDMPMTQRDLCRAKPVYEELPGWWEDISGAREFDDLPAKARDYVLRLEQLAGAPVSCIGVGPGREQTIVRRDVLQDRP |
1HOP Chain:B ((4-427)) | ---VVVLGTQWGDEGKGKIVDLLTERAKYVVRYQGGHNAGHTLVI-NGEKTVLHLIPSGILRENVTSIIGNGVVLSPAALMKEMKELEDRGIPVRERLLLSEACPLILDYHVALDNAREKARGAKAIGTTGRGIGPAYEDKVARRGLRVGDLFDKETFAEKLKEVMEYHNFQLVNYYKAEAVDYQKVLDDTMAVADILTSMVVDVSDLLDQARQRGDFVMFEGAQGTLLDIDHGTYPYVTSSNTTAGGVATGSGLGPRYVDYVLGILKAYSTRVGAGPFPTELFDETGEFLCKQGNEFGATTGRRRRTGWLDTVAVRRAVQLNSLSGFCLTKLDVLDGLKEVKLCVAYRMPDGREVTTTPLAADDWKGVEPIYETMPGWSESTFGVKDRSGLPQAALNYIKRIEELTGVPIDIISTGPDRTETMILRD------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1HOP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -211258 for 3494 contacts (-60.5/contact) +
2D Compatibility (PS) -45474 + (NN) -20965 + (LL) 444
1D Compatibility (HY) -38400 + (ID) 10850
Total energy: -326503.0 ( -93.45 by residue)
QMean score : 0.510
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