Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKISKFVFLFLFCLGFNLQASGTLNIEEVITRKGFKFLFVENCDLPKVSLNISFKDAGYAYENVEKQGLTWFTSLAIQEGAGKNDAKDFAKKLEDKGISLNFIAGLEAFRASLNTLSENLEEAVSLLSDAIMHPKVDLEGLNRAFEKAKVNFNNLEKDPYFIAGKELNTLLFKKHPYSKSEYGILDTIMSITRDDVLAYVKRNFTKDNIVISVVGCTTKEEVSALLDKYLSKLPLKRSKVRKIPVKNNFGPAESKNIFMDIPQSVIFFAQKGIAYEDPDYYSASVLINALGGMGLNSILMKELRQNLGITYGVFAHIIPNKHGNAIVGNMSTDSSTAGKAILAVKDTLSRIKREGIDEQLFKDAKTILVNNLTFFLSNNTNTAMLLDDMQINDRDVNRINNYADIINDVKLEKVNELASSLLDPENLFFVKVGRNT |
3HDI Chain:A ((3-404)) | --------------------------NTMTLDNGVRIITEKMSTVRSVSIGIWVG-TGSRYESAEENGISHFLEHMFFKGTNTRSAQEIAEFFDSIGGQVNAFTSKEYTCYYAKVLDDHAGQAIDTLSDMFFHSTFQKEELEKERKVVFEEIKMVDDTPDDIVHDLLSSATYGKHSLGYPILGTVETLNSFNEGMLRHYMDRFYTGDYVVISVAGNVHD-ELIDKIKETFSQVKPTTYNYQGEK-PMFLP-NR-IVRKKETEQAHLCLGYPGLPIGDKDVYALVLLNNVLGG-SMSSRLFQDIREKRGLCYSVFSYHSSFRDSGMLTIYAGTGHDQLDDLVYSIQETTSALAEKGLTEKELENGKEQLKGSLMLSLESTNSRMSRNGKNELLLKKHRSLDEMIEQINAVQKQDVSRLAKILLSASP-SISLINANG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HDI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -121415 for 3389 contacts (-35.8/contact) +
2D Compatibility (PS) -43763 + (NN) -21129 + (LL) 2724
1D Compatibility (HY) -12400 + (ID) 3900
Total energy: -199883.0 ( -58.98 by residue)
QMean score : 0.487
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