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:A ((11-312)) | ---------------------------------------------------------EPIEVITPAKITEPEKVELGKMLFFEPRLSKSGFISCNSCHNLSTGGVDALPTSIGHHWQEGP--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) -53419 for 2394 contacts (-22.3/contact) +
2D Compatibility (PS) -30721 + (NN) -15231 + (LL) 5188
1D Compatibility (HY) -22800 + (ID) 6700
Total energy: -123683.0 ( -51.66 by residue)
QMean score : 0.443
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