Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLKIAIVGLPNAGKSTLFNRILGRKAAVVSNIPGITRDRQEGVGRISDLELKIIDTGGWNDQTNFFLQIVEQIEFSLFSADIIFFLVDAKVQNEQNKEFAKWLKRRTNKSVILIANKCESYKSENIDYLQFFDFIGPVYISAEHNLGMVDLYNALAGVIDSSTNFSSVIPKPLPVIKVAGTGIQEKNEQISTLHAENQSNQPNRLRVAIIGRPNVGKSTFLNSLLSENRLITSSEPGTTRDSVDITYNH-NGKLITLIDTAGIRRRANLIDNLELKFVKKSMESIKRSHVVVLMLDSLLGIKQQDLSIGEAA-IKGGKGIIIVLNKWDLINKDD-RSRLIKFVRQQEITRLFLEVPTVTISALKGIRCSDVIDKCLEVNEFLNKKISTAKVNK-----WLVDAL----G---RHPHPFVKGRAIRMKYIAQIGTKPPAFSLTCNVPEG--------VDESYKR--YLTNDLRKNFF-IDGIPVRLLLKKNKNPYVK |
3IEV Chain:A ((8-291)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKVGYVAIVGKPNVGKSTLLNNLLGTKVSIISPKAGTTRMRVLGVKNIPNEAQIIFLDTPGIYEPKKSD-VLGHSMVEIAKQSLEEADVILFMIDATEGWRPRDEEIYQNFIKPLNKPVIVVINKIDKIGPAKNVLPLIDEIHKK--H--PELTEIVPISALKGANLDELVKTILKYLPEGEPLFPEDMITDLPLRLLAAEIVREKAMMLTREEVP--TSIAVKINEIKPGDANPNMLVIKGEIIVDRENLKPIIIGKKGQRLKEIGKRARQELELILGRPVYLELWVKVVPDWR |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IEV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -112909 for 1932 contacts (-58.4/contact) +
2D Compatibility (PS) -27698 + (NN) -10525 + (LL) 14740
1D Compatibility (HY) -12000 + (ID) 3400
Total energy: -151792.0 ( -78.57 by residue)
QMean score : 0.453
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