Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MALTAGIVGLPNVGKSTLFNAITKAG-AEAANYPFATIDPNVGMVEVPDERLQKLTELITPKKTVPTTFEFTDIAGIVKGASKGEGLGNKFLANIREVDAIVHVVRAFDDENVMREQGREDAFVDPIADIDTINLELILADLESINKRYARVEKM----ARTQKDKESVAEFNVLQKIKPVLEDGKSA-RTIEFTEEEAKVVKGLFLLTTKPVLYVANVDEDKVADPDDIDYVNQIRAFAETENAE---VVVISARAEEEISELDDEDKLEFLEAIGLTESGVDKLTRAAYHLLGLGTYFTAGEKEVRAWTFKRGIKAPQAASIIHSDFERGFIRAVTMSYDDLIQYGSEKAVKEAGRLREEGKEYIVQDGDIMEFRFNV |
1NI3 Chain:A ((21-388)) | --LKTGIVGMPNVGKSTFFRAITKSVLGNPANYPYATIDPEEAKVAVPDERFDWLCEAYKPKSRVPAFLTVFDIAGLTKGASTGVGLGNAFLSHVRAVDAIYQVVRAFDDAEIIHVEGD----VDPIRDLSIIVDELLIKDAEFVEKHLEGLRKITSRGANTLEMKAKKEEQAIIEKVYQYLTETKQPIRKGDWSNREVEIINSLYLLTAKPVIYLVNMSERDFLRQKN-KYLPKIKKWID-ENSPGDTLIPMSVAFEERLTNFTEEEAIEECKKLN-TKSMLPKIIVTGYNALNLINYFTCGEDEVRSWTIRKGTKAPQAAGVIHTDFEKAFVVGEIMHYQDLFDYKTENACRAAGKYLTKGKEYVMESGDIAHWK--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NI3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -136579 for 2775 contacts (-49.2/contact) +
2D Compatibility (PS) -39203 + (NN) -12710 + (LL) 1332
1D Compatibility (HY) -34400 + (ID) 7550
Total energy: -229110.0 ( -82.56 by residue)
QMean score : 0.507
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