Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLETLAVHAGYSPDPTTRAVAVPIYQTTSYAFDDTQHGADLFDLKVPGNIYTRIMNPTNDVLEQRVAALEGGVGALAVASGMAAITYAIQTVAEAGDNIVSVAKLYGGTYNLLAHTLPRIGIQARFAAHDDVAALEALIDERTKAVFCETIGNPAGNIIDLQALADAAHRHGVPLIVDNTVATPVLCRPFEHGADIVVHSLTKYMGGHGTSIGGIVVDSGKFDWAANKSRFPLLNTPDPSYHGVTYTEAFGPAAFIGRCRVVPLRNM-GAALSPFNAFLILQGLETLALRMERHCDNALAVARYLQQHPQVAWVKYAGLADNPEHALARRYLGGRPAAILSFGIQGGSAAGARFIDALKLVVRLVNIGDAKSLACHPASTTHRQLNAEELARAGVSDDMVRLSIGIEHIDDILADLDQALAAAAR |
3JWA Chain:A ((9-396)) | --FNTQIVHAGQQPDPSTGALSTPIFQTSTFVFDSAEQGAARFALEESGYIYTRLGNPTTDALEKKLAVLERGEAGLATASGISAITTTLLTLCQQGDHIVSASAIYGCTHAFLSHSMPKFGINVSFVDAAKPEEIRAAMRPETKVVYIETPANPTLSLVDIETVAGIAHQQGALLVVDNTFMSPYCQQPLQLGADIVVHSVTKYINGHGDVIGGIIV---------------------------------GKQEFIDQARFVGLKDITGGCMSPFNAWLTLRGVKTLGIRMERHCENALKIARFLEGHPSITRVYYPGLSSHPQYELGQRQM-SLPGGIISFEIAGGLEAGRRMINSVELCLLAVSLGDTETLIQHPASMTHSPVAPEERLKAGITDGLIRLSVGLEDPEDIINDLEHAIRKA-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3JWA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -301370 for 3470 contacts (-86.9/contact) +
2D Compatibility (PS) -42220 + (NN) -23172 + (LL) 1352
1D Compatibility (HY) -32400 + (ID) 8650
Total energy: -406460.0 ( -117.14 by residue)
QMean score : 0.524
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