Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDDAFSEEGSAQPRHDAQRPALAPRSDGFDIHTYHPDFVADPYPLLRLIRSRAPVCR---DQASIWWISRYADVSACLRDRRFSADPARLGAAGVRQGGASW---FGHQQLQPLARFYDNFMLFNDAPRHTRLRRLFAPAFGPDAVRRWEARIEVLVEELLDSLLERREPDLLRDFAEPLTIRVAAELFGFPREDTGQLLPWGRDLAAGLDLAASHGDAGQINRSAVAFSDYLQRQARGWSDGSSRPPSGAAPSILDGAAMLEAGLGLEDLVAAYAMVFMAAFETTISMVGNATLALLTHPDQLDLLRRCPELAANAVEELLRFDGAV-RGGVRCTLEEVEIGGQRIPPGEKVWLSFLAANRDPEMFAAPDRLQLQRANAKQHVAFAHGPHYCLGAYLARLELQCALRGLV--RRRFALASEPTDLRWRRSSVFRTLERLPIVPEGDAQKTCE |
3A51 Chain:B ((18-397)) | -------------------------------------FWQNPHPAYAALRAEDPVRKLALPDGPVWLLTRYADVREAFVDPRLSKD---------------WRHRLPEDQRADMPATPTPMMILMDPPDHTRLRKLVGRSFTVRRMNELEPRITEIADGLLAGLPTDGPVDLMREYAFQIPVQVICELLGLPAEDRDDFSAWSSVL---VDDSPADDKNAAMGKLHGYLSDLLERK-------RTEPDDALLSSLLAVSDMDGDRLSQEELVAMAMLLLIAGHETTVNLIGNGVLALLTHPDQRKLLAEDPSLISSAVEEFLRFDSPVSQAPIRFTAEDVTYSGVTIPAGEMVMLGLAAANRDADWMPEPDRLDITR-DASGGVFFGHGIHFCLGAQLARLEGRVAIGRLFADRPELALAVGLDELVYRRSTLVRGLSRMPVT---------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A51.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -256880 for 3002 contacts (-85.6/contact) +
2D Compatibility (PS) -39876 + (NN) -20280 + (LL) 2028
1D Compatibility (HY) -32000 + (ID) 6950
Total energy: -353958.0 ( -117.91 by residue)
QMean score : 0.483
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