Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ------------MSDLAQNPPAVRTVLAGLMLSIFLSALDQTIVAVSLPAISADYADLDLLAWVISAYMVAMTVSMPIYGKLGDLYGRRRLMLFAIVVFTAASLLCGLAQSM----GQLVLARVLQGIGAGGLMAVSQAIIGDIVPPRERGRYQGYFSSMYAIASV-AGPVLGGLLTEYLSWHWVFWINLPIGLLALAISRRTLVGLPVPRRQPVIDYLGIVLMVVGLTALLLAITQIGQGAAWSDPALLGLFALAALALLLFVAQERRFREPLVPMQLFAVRAATLSWLVAFFASFQAISLTVLVPLRYQSVTGAGADSAALHLLPLVMGLPLGAYCCGRLTASL--GRYKPLILLGAVLLPCGIAGLALVPVGDHWLSGLCMLLTGIAIGTQFPTSLVAAQNAVEQRHIGVATSNATLFRSLGGAVGVALMSAILLALLKHLRIGGGLDQGFSESALLSSLDAASGPARVILQHVLADAFKVLFLVNAAVALLGLAVASALPDMTLRGRGATQPTAGE |
1PW4 Chain:A ((5-451)) | FKPAPHKARLPAAEIDPTYRRLRWQIFLGIFFGYAAYYLVRKNFALAMPYLVEQGFSRGDLGFALSGISIAYGFSKFIMGSVSDRSNPRVFLPAGLILAAAVMLFMGFVPWATSSIAVMFVLLFLCGWFQGMGWPPCGRTMVHWWSQKERGGIVSVWNCAHNVGGGIPPLLFLLGMAWFNDWHAALYMPAFCAILVALFAFAMMRDTPQSCGLPPIE-----------------------------------------------EYKNDTAKQIFMQYVLPNKLLWYIAIANVFVYLLRYGILDWSPTYLKEVKHFALDKSSWAYFLYEYAGIPGTLLCGWMSDKVFRGNRGATGVFFMTLVTIATIVYWMNPAGNPTVDMICMIVIGFLIYGPVMLIGLHALELAPKKAAGTAAGFTGLFGYLGGSVAASAIVGYTVDFFGW--------------------------------------DGGFMVMIGGSILAVILLIVVMIGEKRRHEQLLQELVP- |
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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) -383533 for 3556 contacts (-107.9/contact) +
2D Compatibility (PS) -42710 + (NN) -12860 + (LL) 7444
1D Compatibility (HY) -20000 + (ID) 2700
Total energy: -454359.0 ( -127.77 by residue)
QMean score : 0.324
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