Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MARRTEPPDGGWGWVVVLSAFFQSALVFGVLRSFGVFFVEFVAAFEEQAARVSWIASIGIAVQQFGSPVGSALSTKFGPRPVVMTGGILAALGMLLASFAT----SLTHLYLSIGLLSGSGWALTFAPTLACLSCYFS-RRRSLATGLALTGVGLSSFTFAPFFQWLLS-HYAWRGSLLLVSALSLHLVACGALLRPPSLAE------DPAVG-GPRA---Q-L-TSLLHHGPFLRYTVALTLINTGYFIPYLHLVAHLQD-LDWDPLPAAFLLSVVAISDLVGRVVSGWLGDAVPGPVTRLLML-WTTLTGVSLALFPV--AQAPTALVALAVAYGFTSGALAPLAFSVLPELIGTRRIYCGLGLLQMIESIGGL-LGPPLSGYLRDVTGNYTASFVVAGAFLLSGSGILLTLPHFFCFSTTTSGPQDLVTEALDTKVPLPKEGLEED |
1PW4 Chain:A ((21-451)) | ------PTYRRLRWQIFLGIFFGYAAYYLVRKNFALAMPYL-VEQGFSRGDLGFALSGISIAYGFSKFIMGSVSDRSNPRVFLPAGLILAAAVMLFMGFVPWATSSIAVMFV-LLFLCGWFQGMGWPPCGRTMVHWWSQKERGGIVSVWNCAHNVGGGIPPLLFLLGMAWFNDWHAALYMPAFCAILVALFAFAMMRDTPQSCGLPPIEEYKND----TAKQIFMQYVLPNKLLWYIAIANVFVYLLRYGILDWSPTYLKEVKHFALDKSSWAYFLYEYAGIPGTLLCGWMSDKVFRGNRGATGVFFMTLVTIATIVYWMNPAGNPTVDMICMIVIGFLIYGPVMLIGLHALELAPKKAAGTAAGFTGLFGYLGGSVAASAIVGYTVDFFG-WDGGFMVMIGGSILAVILLIV-VMIGEKRRHEQLLQELVP----------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1PW4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -337738 for 3397 contacts (-99.4/contact) +
2D Compatibility (PS) -39929 + (NN) -5976 + (LL) 1756
1D Compatibility (HY) -18800 + (ID) 3100
Total energy: -403787.0 ( -118.87 by residue)
QMean score : 0.318
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