Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAETPNQRITEINLNKEMRTSFLDYAMSVIVARALPDVRDGLKPVHRRILYAMNDLGMTSDKAYKKSARIVGEVIGKYHPHGDTAVYFTMVRMAQDFSYRNMLVDGHGNFGSVDGDMAAAMRYTEARMSKISMELLRDINKDTIDYADNYDGSEREPVILPARFPNLLVNGSSGIAVGMATNIPTHHLGEVIDGVLALSHDPEITIRDLMEYIPGPDFPTAGMIMGRSGIRRAYESGRGSITVRGRVDIEEKKNGKETIVITEIPYQVNKARLVERIAELAREKKIDGITSLNDESDRSGMRIVIEVRRDISASVIVNNLFKMTALQTTFGINMLALVDNHPKVLNLKEILYYYLEHQKVVIRRRTEFELRKAEARAHILEGLRIALDNIDAIIKLIRGSKTSDVAKEGLMTQFNLSDKQAQAILDMRLQRLTGLEREKIEEEYQNLVALINDLKAILADDERILEIIREELEEIKVKYADKRRTEILAGDLVSLEDEDLIPEEEVAITLTKRGYIKRLPLSTYRSQRRGGRGIQGMSTHEDDFVEHLVATSTHDTLLFFTNTGKVYRSKGYEVPEYGRTAKGIPIINLLGIESQEQVNAVINLSEFTDDSYLFFTTKHGVVKRTTLSQFAKIRQSGLRAVELRENDELISVQMTDGSKNMIIATKHGQSIYFPEENIRVMGRTAAGVRGIRLREDDEVIGMEVLEDDEKVLVVTEKGYGKQTPASQYPLRNRGGMGVKTVTITEKNGNLVAMKTVTGEEDLMLMTVSGVLIRFEIDTVSQTGRSAMGVKLIRLDEDEKVATVAKVPKEEDEVELEEEIDETLITQVPDESFEDAPGSDIEE |
3KSB Chain:B ((4-483)) | --------IQNMSLEDIMGERFGRYSKYIIQDRALPDIRDGLKPVQRRILYSMNKDSNTFDKSYRKSAKSVGNIMGNFHPHGDSSIYDAMVRMSQNWKNREILVEMHGNNGSMDGDPPAAMRYTEARLSEIAGYLLQDIEKKTVPFAWNFDDTEKEPTVLPAAFPNLLVNGSTGISAGYATDIPPHNLAEVIDAAVYMIDHPTAKIDKLMEFLPGPDFPTGAIIQGRDEIKKAYETGKGRVVVRSKTEIEK------QIVITEIPYEINKANLVKKIDDVRVNNKVAGIA-VRDESDRDGLRIAI---KDANTELVLNYLFKYTDLQINYNFNMVAIDNFTPRQVGIVPILSSYIAHRREVILARSRFDKEKAEKRLHIVEGLIRVISILDEVIALIRASENKADAKENLKVSYDFTEEQAEAIVTLQLYRLTNTDVVVLQEEEAELREKIAMLAAIIGDERTMYNLMKKELREVKKKFATPR--------LSSLE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KSB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -239663 for 3675 contacts (-65.2/contact) +
2D Compatibility (PS) -50326 + (NN) -16210 + (LL) 24960
1D Compatibility (HY) -41200 + (ID) 11100
Total energy: -333539.0 ( -90.76 by residue)
QMean score : 0.574
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