Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LSYEPNTKETMQKIKELTSIPSPTGNTGKIIEKLAKDLDASKIPYRLNNKGGLIVTLPGKDETKHRMLTAHVDTLGAMVKEIKADGRLLLTLIGGYRFNAIEGEYCTIETSAGDLYSGTILMHQTSVHVYKDAGTAERNDKNMEVRLDVKALDADKVRALGIEVGDFVSFDPRVQIINDEYIKSRHLDDKASVAILLQLINHIHENNLELPHTTHFLISNNEEIGYGGNSNIPAETVEYLAVDMGALGDGQTSDEYTVSICAKDGSGPYHLGLRKHLVELAKKNNIDYKVDIYPFYASDASAAINAGNDIIHGLIGPGIDASHAYERTHRDSLYHTEKLVYAYLFSNILK |
2GRE Chain:A ((3-346)) | ----HHTKETMELIKELVSIPSPSGNTAKIINFIENYVSEWNVETKRNNKGALILTVKGKNDAQHRLLTAHVDTLGAMVKEIKPDGRLSLSMIGGFRWNSVEGEYCEIETSSGKTYTGTILMH-----------------IE--VRIDERVFSADEVRELGIEVGDFVSFDPRVQITESGYIKSRHLDDKVSVAILLKLIKRLQDENVTLPYTTHFLISNNE----GGNSNIPEETVEYLAVDMGALGDG--SDEYTVSICAKDSSGPYHYALRKHLVELAKTNHIEYKVDIYPYY--------RAGFDVKHALIGAGIDSSHAFERTHESSIAHTEALVYAYVMSNL-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2GRE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -150814 for 2596 contacts (-58.1/contact) +
2D Compatibility (PS) -34573 + (NN) -23090 + (LL) 2812
1D Compatibility (HY) -36000 + (ID) 10850
Total energy: -252515.0 ( -97.27 by residue)
QMean score : 0.577
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