Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNEEILREVADIFIGDDRDSIYDYKTGNELVRFFNHYFNKGDIYQAPFPSRWLYVVKHLQTLIQERKINQFFTLILSNHYIKYELKIDEVEAAKQAAKALKLFNKRLNHYGYYITGTNNARYFMDKDEDTESIGYGGYANIYLQKST-----------GLAVKKLKEEYLTDSSIKSRFKREFDLTKSFDTNPLFINVFEFNE--SDYSYTMELAD-ETLKDYIESK------TISELEKVKIIMKILKAMSQAHSENKIHRDISSKNVLMFR-GKVKISDLGLGKNLDEIHSHQTFDTNGVGQYKYCAPEQMYSLKQADKQSDVFSLGRLINFIMT-GNVVNNH-----------------------HLFRGVSDKATNSSKEYRFEDANEMLKMLQRILEYHSSAKHVEKCQEKLKRGVFDDESEEFIMTRSDEQLCQMVLSSNNNEQACLIRYMQKNESSACDLIESINRKYQEFCGRFEDYDPFAKLAYMILCNNFSYRVNETAARVLNYVAWSVNRFSAQDLIKGLINRGVEPLIEEKLKDN |
2PSQ Chain:A ((81-365)) | ----------------------------------------------------------------------------------------------------------------------------DKLTLGKPLGEGCFGQVVMAEAVGIDKDKPKEAVTVAVKMLKDDA--TEKDLSDLVSEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASKGNLREYLRARRPPPEEQMTFKDLVSCTYQLARGMEYLASQKCIHRDLAARNVLVTENNVMKIADFGLARDINNIDY-YKKTTNGRLPVKWMAPEALFD-RVYTHQSDVWSFGVLMWEIFTLGGSPYPGIPVEELFKLLKEGHRMDKPANCTNELYMMMRDCWHAVPSQRP-TFKQLVEDLDRILTL------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PSQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -44205 for 1796 contacts (-24.6/contact) +
2D Compatibility (PS) -24472 + (NN) -7208 + (LL) 20904
1D Compatibility (HY) -16800 + (ID) 2800
Total energy: -74581.0 ( -41.53 by residue)
QMean score : 0.380
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