Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTVRVGDPELVLDPYDYDFHEDPYPYYRRLRDEAPLYRNE--ERNFWAVSRHHDVLQGFRDSTALSNAYGVSLDPSSRTS-EAYRVMSMLAMDDPAHLRMRTLVSKGFTPRRIRELEPQVLELARIHLDSALQTESFDFVAEFAGKLPMDVISELIGVPDTDRARIRALADAVLHREDGVADVPPPAMAASIELMRYYADLIAEFRRRPANNLTSALLA-AELDGDRLSDQEIMAFLFLMVIAGNETTTKLLANAVYWAAHHPGQLARVFADHSRIPMWVEETLRYDTS-SQILARTVAHDLTLYDTTIPEGEVLLLLPGSANRDDRVFDDPDDYRIGREIGCKLVSFGSGAHFCLGAHLARMEARVALGALL--RRIRNYEVDDDNVVRVHSSNVRGFAHLPISVQAR |
3A50 Chain:D ((12-401)) | ------------DLFSGTFWQNPHPAYAALRAEDPVRKLALPDGPVWLLTRYADVREAFVDPR-LSKDWRHRLPEDQRADMPATPTPMMILMDPPDHTRLRKLVGRSFTVRRMNELEPRITEIADGLLAGLPTDGPVDLMREYAFQIPVQVICELLGLPAEDRDDFSAWSSVLV--DDSPADDKNAAMG---KLHGYLSDLLERKRTEPDDALLSSLLAVSDMDGDRLSQEELVAMAMLLLIAGHETTVNLIGNGVLALLTHPDQRKLLAEDPSLISSAVEEFLRFDSPVSQAPIRFTAEDVTYSGVTIPAGEMVMLGLAAANRDADWMPEPDRLDITRDASGG-VFFGHGIHFCLGAQLARLEGRVAIGRLFADRPELALAVGLDELVYRRSTLVRGLSRMPVTMGPR |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A50.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -235344 for 3149 contacts (-74.7/contact) +
2D Compatibility (PS) -41755 + (NN) -19244 + (LL) 1788
1D Compatibility (HY) -26800 + (ID) 7400
Total energy: -328755.0 ( -104.40 by residue)
QMean score : 0.438
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