Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKTILLSALLAFSCAHALSDMDLIKKAKESQLEPMPMGKALKEYQIKKTRDVGIGAKNSEIMTSAQ------VELGKMLYFDPRISTSYLVSCNTCHNLGLGGVDLIPSAIGSQWKKNPHLLSSPTVYNSVFNDVQFWDGRVTHLNEQAQGPIQSSFEMGADPKVVVEKINSIPGYVKLFRKAYGSKVKIDFKLIADSIAMFEATLITP-SRYDDFLRGNPKALSKAEKEGLDLFISKGCVACHNGINLGGTM-QPFGVVKPYKFANVGDFKGDKNG------LVKVPTLRNITETMPYFHNGQFWDVKDAIKEMGSIQLGIEISDAEAKKIETFFEALKGKKPKIIYPELPVMTDKTPKPSF |
3O5C Chain:C ((11-312)) | ---------------------------------------------------------EPIEVITPA-ITEPEKVELGKMLFFEPRLSKSGFISCNSCHNLSTGGVDALPTSIGHHWQEGP--INSPTVLNADFMLAQFWDGRASNLKEQAAGPIANPKEMGFTHELATETIASMPAYRARFAKVYGDE-KVDIDRLTDAIAAFEKTLVTPNSPFDQYLLGKQDAISGDAKAGYQLFKDKGCVSCHNGPAVGGTMFMKMGLIKPFHTNNPAEGRKGVTGKDADKFVFKVPTLRNIELTYPYFHDGSVWTLEEAVNTMADIQLGQKLTEKETKEMVAFLNSLTGEQPQISLPILPPSNKETPRPVP |
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General information:
TITO was launched using:
| RESULT:
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Template: 3O5C.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -57662 for 2391 contacts (-24.1/contact) +
2D Compatibility (PS) -30836 + (NN) -14226 + (LL) 5308
1D Compatibility (HY) -22800 + (ID) 6700
Total energy: -126916.0 ( -53.08 by residue)
QMean score : 0.417
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