Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKKQFLKSAAILSLAVTAVSTSQPVAGITKDYNNRNEKVKKYLQENNFGHKIAYGWKNKVEFDFRYLLDTAKYLVNKEEFQDPLYNDAREELISFIFPYEKFLINNRDITKLTVNQYEAIVNRMSVALQKFSKNIFEKQKVNKDLIPIAFWIEKSYRTVGTNEIAASVGIQGGF-YQNFHDYYNYSYLLNSLWHEGNVKEVVKDYENTIRQILSKKHEIEKILNQSTSDISIDDDDYEKGNKELLREKLNIILNLSKRDYRVTPYYEVNKLHTGLILLEDVPNLKIAKDKLFSLENSLKEYKGEKVNYEELRFNTEPLTSYLENKEKFLVPNIPYKNKLILREEDKYSFEDDEEEFGNELLSYNKLKNEVLPVNITTSTILKPFEQKKIVEDFNPYSNLDNLEIKKIRLNGSQKQKVEQEKTKSPTPQKETVKEQTEQKVSGNTQEVEKKSETVATSQQSSVAQTSVQQPAPVQSVVQESKASQEEINAAHDAISAYKSTVNIANTAGVTTAEMTTLINTQTSNLSDVEKALGNNKVNNGAVNVLREDTARLENMIWNRAYQAIEEFNVARNTYNNQIKTETVPVDNDIEAILAGSQAKISHLDNRIGARHMDQAFVASLLEVTEMSKSISSRIKE |
| 3ATR Chain:A ((207-246)) | --------------------------------------------------------------------------------------------------------------------------------------------IDQETSPGGYWW---YFPKGKNKVNVGLGIQGGMGYPSIHEYYKKYLDKYAPDVDKSKLLVKGGALVPTRRPLYTMAWNGIIVIGDSGFTVNPVHGGGKGSAMISGYCAAKAILSAFETGDFSASGLWDMNICYVNEYGAKQASLDIFRRFLQKLSNDDINYGMKKKIIKEEDLLEASEKGDLHLSVADKAMRVISGLGRPSLLFKLKAVAESMKKIKELYLNYPRSPSSLGSWRREVDNVLTEFNKSLS------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3ATR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -25747 for 188 contacts (-137.0/contact) +
2D Compatibility (PS) -4169 + (NN) -1773 + (LL) 26776
1D Compatibility (HY) -3600 + (ID) 700
Total energy: -9213.0 ( -49.01 by residue)
QMean score : 0.235
|
|
|