Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDDAFSEEGSAQPRHDAQRPALAPRSDGFDIHTYHPDFVADPYPLLRLIRSRAPVCR---DQASIWWISRYADVSACLRDRRFSADPARLGAAGVRQGGASW---FGHQQLQPLARFYDNFMLFNDAPRHTRLRRLFAPAFGPDAVRRWEARIEVLVEELLDSLLERREPDLLRDFAEPLTIRVAAELFGFPREDTGQLLPWGRDLAAGLDLAASHGDAGQINRSAVAFSDYLQRQARGWSDGSSRPPSGAAPSILDGAAMLEAGLGLEDLVAAYAMVFMAAFETTISMVGNATLALLTHPDQLDLLRRCPELAANAVEELLRFDGAV-RGGVRCTLEEVEIGGQRIPPGEKVWLSFLAANRDPEMFAAPDRLQLQRANAKQHVAFAHGPHYCLGAYLARLELQCALRGLV--RRRFALASEPTDLRWRRSSVFRTLERLPIVPEGDAQKTCE |
3A50 Chain:C ((18-397)) | -------------------------------------FWQNPHPAYAALRAEDPVRKLALPDGPVWLLTRYADVREAFVDPRLSKD---------------WRHRLPEDQRADMPATPTPMMILMDPPDHTRLRKLVGRSFTVRRMNELEPRITEIADGLLAGLPTDGPVDLMREYAFQIPVQVICELLGLPAEDRDDFSAWSSVL---VDDSPADDKNAAMGKLHGYLSDLLERK-------RTEPDDALLSSLLAVSDMDGDRLSQEELVAMAMLLLIAGHETTVNLIGNGVLALLTHPDQRKLLAEDPSLISSAVEEFLRFDSPVSQAPIRFTAEDVTYSGVTIPAGEMVMLGLAAANRDADWMPEPDRLDITR-DASGGVFFGHGIHFCLGAQLARLEGRVAIGRLFADRPELALAVGLDELVYRRSTLVRGLSRMPVT---------- |
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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) -255043 for 3012 contacts (-84.7/contact) +
2D Compatibility (PS) -39818 + (NN) -19726 + (LL) 2028
1D Compatibility (HY) -32000 + (ID) 6950
Total energy: -351509.0 ( -116.70 by residue)
QMean score : 0.502
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