Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKKIISIAIIVLALVLSGCGVPTKSEVAQKSSKVEVKGERPTIHFLGQASYENDMNIVKDQLENAGFNVKMNIQPDYGSYRTQRQAGNYDIQIDDWMTVFGDPNYAMTALFSSTGSNSLLKDKHVDQLLNKASTQNEADVKQTYKQIEDEVVFDKGYMAPLYGSKKNLVYDNKVLDKNSVGLPNSRALIWQQFDYNNSRERDTRPLVMTQQDGEIPTLDPIRSIAPSVYSINMNMYTRLLLLDENDHLTTKGSLSRDYAVNKDNKAFYFLLRDDDYFAKVVNGQARNTGERVSAEDVKFSLDRARDKKSVPNNNTYNMHKHINDIKILKDEDIDQLRKEKDKDDKSIYDKLIKAYNVKSLTTDGQKVNNKDGIYQIVKITTDQSMPREVNYLTHSSAGILSKKFVNQVNQEYPKGYGDSSTIPANSDGKNALYASGAYIMTQKN-AYQATFQRNPGFNETEKGSYGSPKIKNITLKFNGDPNNALSELRNHSIDMLADVNQKHFDLIKSDKNLSIIRKNGRKSVFLMLNI-------------KKGIFKTHPNLRQAVVNAIDQDQFIK-FYRGDKFKIASPITPLVDTG---NEQRQDLEKVEKAINQ |
| 3RY3 Chain:A ((33-342)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TLQLAI-GDE--GFDPMLGWSHGS---YLLLHSPLLKQNEDFSWD--SLLLSQYQPSDDGKTWLLTLKPDLKFS---------DGSPLTAKDVAFTYNNAAASGGK------VDMGNFLSAEVID-------------------------------------------PL-NVRIHLKAPQSTFVNVLGS--LGIVSADKYNAK------------------TYAQKPIGAGPYRLVSFQPGQQMIVEANPYYAG------NKNDFDKLIFVFLDE-DSAFAAAQSGQLGVVR-IPPSMAVGS--VNNMKLWVRPSVENRGIVFPTTPAGKKDAHGYPIGN-DVTADVAIRRAINYAINRQLLADQIMEGHAIPAYTGVQGLPWNNPDSAIKDGDIDKAKQILEQ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3RY3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -41128 for 2011 contacts (-20.5/contact) +
2D Compatibility (PS) -30559 + (NN) -13034 + (LL) 14592
1D Compatibility (HY) -13200 + (ID) 2300
Total energy: -85629.0 ( -42.58 by residue)
QMean score : 0.383
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