Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGLNTAIATRVNGTPPPEVPIADIELGSLDFWALDDDVRDGAFAT---LRREAPISFWPTIELPGFVAGNGHWALTKYDDVFYASRHPDIFSSYPNITINDQTPELAEYFGSMIVLDDPRHQRLRSIVSRAFTPKVVARIEAAVRDRAHRLVSSMIANNPDRQADLVSELAGPLPLQIICDMMGIPKADHQRIFHWTNVILGFGDPDLATDFDEFMQVSADIGAYATALAEDRRVNHHDDLTSSLVE-AEVDGERLSSREIASFFILLVVAGNETTRNAITHGVLALSRYPEQRDRWWSDFDGLAPTAVEEIVRWASPV-VYMRRTLTQDIELRGTKMAAGDKVSLWYCSANRDESKFADPWTFDLARNPNPHLGFGGGGAHFCLGANLARREIRVAFDELRRQMPDVVATEEPARLL---SQFIHGIKTLPVTWS |
2C6H Chain:A ((35-425)) | ----------------------------LDLGALGQDFAADPYPTYARLRAEGPAHRVRTPE------GDEVWLVVGYDRARAVLADPRFSKDWRNSTTPLTEAE-AALNHNMLESDPPRHTRLRKLVAREFTMRRVELLRPRVQEIVDGLVDAMLAA-PDGRADLMESLAWPLPITVISELLGVPEPDRAAFRVWTDAFVFPDDPAQA------QTAMAEMSGYLSRLIDSKRGQDGEDLLSALVRTSDEDGSRLTSEELLGMAHILLVAGHETTVNLIANGMYALLSHPDQLAALRADMT-LLDGAVEEMLRYEGPVESATYRFPVEPVDLDGTVIPAGDTVLVVLADAHRTPERFPDPHRFDIRRDTAGHLAF-GHGIHFCIGAPLARLEARIAVRALLERCPDLALDVSPGELVWYPNPMIRGLKALPIRW- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C6H.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -201718 for 3130 contacts (-64.4/contact) +
2D Compatibility (PS) -40669 + (NN) -13982 + (LL) 1436
1D Compatibility (HY) -23600 + (ID) 6950
Total energy: -285483.0 ( -91.21 by residue)
QMean score : 0.432
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