Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLAKMSFMQNVKNIQEVDVNHKRVLIRVDFNVPLDENLNITDDTRIRESLPTIQFCIDNKAKDIILVSHLGRPKGVE--EKLSLKPFLKRLERLLNHEVVFSQNIA--QLKQALNENAPTRIFLLENIRF-----LKGEEENDENLAKD----------LASLCDVFVNDAFGTSHRKHASTYGTAKFAPIKVSGFLLKKEIDSFYQAFNHPLRPLLLIVGGAKVSSKLTLLKNILDLIDKLIIAGAMSNTFLKAL-GYDVQDSSVEDALINDALELLQSAKEKKVKVYLPIDAVTTDDILNPKHIKISPVQDIEPKHKIA-DIGPASLKLFSEVIESAPTILWNGPLGVHEKQEFARGTTFLAHKIANTYA---FSLIGGGDTIDAINRAGEKDNMSFISTGGGASLELLEGKILPCFEVLDKRH |
2PAA Chain:A ((8-413)) | -------------LDKVDLKGKRVIMRVDFNVPMKNN-QITNNQRIKAAIPSIKHCLDNGAKSVVLMSHLGRPDGIPMPDKYSLEPVADELKSLLNKDVIFLKDCVGPEVEQACANPDNGSIILLENLRFHVEEEGKGKDSSGKKISADPAKVEAFRASLSKLGDVYVNDAFGTAHRAHSSMVGVN--LPQKASGFLMKKELDYFSKALEKPERPFLAILGGAKVKDKIQLIKNMLDKVNFMIIGGGMAYTFLKELKNMQIGASLFDEEGATIVKEIMEKAEKNGVKIVFPVDFVTGDKFDENAKVGQATIESGIPSGWMGLDCGPESIKINAQIVAQAKLIVWNGPIGVFEWDAFAKGTKALMDEVVKATSNGCVTIIGGGDTATCCAKWGTEDKVSHVSTGGGASLELLEGKILPGVEALSNM- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PAA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -234049 for 3329 contacts (-70.3/contact) +
2D Compatibility (PS) -41158 + (NN) -16564 + (LL) 1624
1D Compatibility (HY) -36000 + (ID) 8250
Total energy: -334397.0 ( -100.45 by residue)
QMean score : 0.541
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