Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKKQFLKSAAILSLAVTAVSTSQPVAGITKDYNNRNEKVKKYLQENNFGHKIAYGWKNKVEFDFRYLLDTAKYLVNKEEFQDPLYNDAREELISFIFPYEKFLINNRDITKLTVNQYEAIVNRMSVALQKFSKNIFEKQKVNKDLIPIAFWIEKSYRTVGTNEIAASVGIQGGF-YQNFHDYYNYSYLLNSLWHEGNVKEVVKDYENTIRQILSKKHEIEKILNQSTSDISIDDDDYEKGNKELLREKLNIILNLSKRDYRVTPYYEVNKLHTGLILLEDVPNLKIAKDKLFSLENSLKEYKGEKVNYEELRFNTEPLTSYLENKEKFLVPNIPYKNKLILREEDKYSFEDDEEEFGNELLSYNKLKNEVLPVNITTSTILKPFEQKKIVEDFNPYSNLDNLEIKKIRLNGSQKQKVEQEKTKSPTPQKETVKEQTEQKVSGNTQEVEKKSETVATSQQSSVAQTSVQQPAPVQSVVQESKASQEEINAAHDAISAYKSTVNIANTAGVTTAEMTTLINTQTSNLSDVEKALGNNKVNNGAVNVLREDTARLENMIWNRAYQAIEEFNVARNTYNNQIKTETVPVDNDIEAILAGSQAKISHLDNRIGARHMDQAFVASLLEVTEMSKSISSRIKE |
| 4OPD Chain:A ((207-246)) | --------------------------------------------------------------------------------------------------------------------------------------------IDQETSPGGYWW---YFPKGKNKVNVGLGIQGGMGYPSIHEYYKKYLDKYAPDVDKSKLLVKGGALVPTRRPLYTMAWNGIIVIGDSGFTVNPVHGGGKGSAMISGYCAAKAILSAFETGDFSASGLWDMNICYVNEYGAKQASLDIFRRFLQKLSNDDINYGMKKKIIKEEDLLEASEKGDLHLSVADKAMRVISGLGRPSLLFKLKAVAESMKKIKELYLNYPRSPSSLGSWRREVDNVLTEFNKSLS------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4OPD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -25253 for 187 contacts (-135.0/contact) +
2D Compatibility (PS) -4096 + (NN) -1356 + (LL) 26776
1D Compatibility (HY) -3600 + (ID) 700
Total energy: -8229.0 ( -44.01 by residue)
QMean score : 0.256
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