Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MADVVVGIQWGDEGKGKIVDRIAKDYDFVVRYQGGHNAGHTIVHKGVKHSLHLMPSGVLYPKCKNIISSAVVVSVKDLCEEISAFED----LENRLFISDRAHVILPYHAKKDAFKEKSQN---IGTTKKGIGPCYEDKMARSGIRMGDLLDDKILEEKLNA-----HFKAIEPFKKAYDLGENYEKDLMGYFKTYAPKICPFIKDTTSMLIEANQKGEKILLEGAQGTLLDIDLGTYPFVTSSNTTSASACVSTGLNPKAINEVIGITKAYSTRVGNGPFPSEDTTPMGDHLRTKGVEFGTTTKRPRRCGWLDLVALKYACALNGCTQLALMKLDVLDGIDAIKVCVAYER-KGERLEAFP---SDLKDCTPIYQTFKGW-EKSVGVRKLDDLEPNAREYIRFIEKEVGVKIGLISTSPEREDTIFL |
1CG3 Chain:A ((5-425)) | ---VVLGTQWGDEGKGKIVDLLTERAKYVVRYQGGHNAGHTLVINGEKTVLHLIPSGILRENVTSIIGNGVVLSPAALMKEMKELEDRGIPVRERLLLSEACPLILDYHVALDNAREKARGAKAIGTTGRGIGPAYEDKVALRGLRVGDLFDKETFAEKLKEVMEYHNFQLVNYYKAE---AVDYQK-VLDDTMAVADILTSMVVDVSDLLDQARQRGDFVMFEGAQGTLLDIDHGTYPYVTSSNTTAGGVATGSGLGPRYVDYVLGILKAYSTRVGAGPFPTELFDETGEFLCKQGNEFGATTGRRRRTGWLDTVAVRRAVQLNSLSGFCLTKLDVLDGLKEVKLCVAYRMPDGREVTTTPLAADDWKGVEPIYETMPGWSESTFGVKDRSGLPQAALNYIKRIEELTGVPIDIISTGPDRTETMIL |
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General information:
TITO was launched using:
| RESULT:
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Template: 1CG3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -178149 for 3575 contacts (-49.8/contact) +
2D Compatibility (PS) -43070 + (NN) -6187 + (LL) 392
1D Compatibility (HY) -36000 + (ID) 9600
Total energy: -272614.0 ( -76.26 by residue)
QMean score : 0.501
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