Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKSVKDFLNKHNLTLKGATIIVGVSGGPDSMALLHALHTLCGRSA--NVIAAHVDHRFRGAESEEDMRFVQAYCKAEQLVCETAQINVTAYAQEKGLNKQAAARDCRYQFFEEIMSKHQADYLALAHHGDDQVETMLMKLAKGTLGTGLAGMQPVRRFGTGRIIRPFLTITKEEILHYCHENGLSYRTDESNAKDDYTRNRFRKTVLPFLKQESPDVHKRFQKVSEALTEDEQFLQSLTKDEMNKVITSQSNTSVEINSSQLLALPMPLQRRGVQLILNYLYENVPSSFSAHHIQQFLDWAENGGPSGVLDFPKGLKVVKSYQTCLFTFEQWQCKNVPFEYQISGAADETAVLPNGYLIEARHYADSPEEHGNAVFITSEKKVRFPLTIRTRKAGDRIKLKGMNGSKKVKDIFIDKKLPLQERDNWPIVTDASGEIIWIPGLKKSIFEDLVIPNSDRIVLQYRQHEKCRGQAKS |
2E21 Chain:A ((27-272)) | -------------------VLIAFSGGVDSVVLTDVLLKLKNYFSLKEVALAHFNHMLRES-AERDEEFCKEFAKERNMKIFVGKEDVRAFAKENRMSLEEAGRFLRYKFLKEILESEGFDCIATAHHLNDLLETSLLFFTRGTGLDGLIGFLPKEEV----IRRPLYYVKRSEIEEYAKFKGLRWVEDETNYEVSIPRNRIRHRVIPELKRINENLEDTFLKMVKVLRAEREFLE----EEAQKLYKEVKKGNC-LDVKKLKEKPLALQRRVIR------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2E21.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -79229 for 1812 contacts (-43.7/contact) +
2D Compatibility (PS) -26258 + (NN) -10626 + (LL) 13876
1D Compatibility (HY) -17200 + (ID) 3750
Total energy: -123187.0 ( -67.98 by residue)
QMean score : 0.463
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