Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LDQKIKDIYHIDDSFSIDNEKYNKWLKSLLNKTRGEITENDVYTMLLQQELEDLAIEKAIEFIKIDPLAGEMWDGQFLEQLAGISVDKLVAYKEELQKLIPYMDNQINEILWDFETEKEEFLFRYAKFKDKVANL----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
2OCE Chain:A ((2-730)) | DSINTRIAEELSALPSGRVQPQQVAAAVALLDEGSTVPFIARYRKEVTGSLDDTQLRMLEERLRYLRELEERRGAILASIEEQGKLTPELARDIKLADTKTRLEDLYLPYKQKRRTKGQIALEAGLGALADALFDDPTLVPESEAARFVDAEKGFADVKAVLEGAKYILMERFAEDATLLDKLRVFMKNEATLTARVVPGKEQEGAKFSDYFEHDEPLKSAPSHRALAIFRGRNEGVLSASLKVGEEAPGTLHPCEVMIAERFGLSNQGRAADKWLAEVVRWTWKVKLYTHLETDLFGELRDGAEDEAISVFARNLHDLLLAAPAGPRATLGLDPGLRTGVKVAVVDATGKLLDTATVYPHAPKNQWDQTLAVLAALCAK-HQVE-LIAIGNGTASRETDKLAGELIKKYPGMKLTKIMVS--------EAGASVYSASELAAKEFPELDVSLRGAVSIARRLQ--DPLAELVKIEPKSIGVGQYQHDVSQLKLARSLDAVVEDCVNAVGVDVNTASAALLARISGLNSTLAQNIVAHRDANGAFRTRDELKKVSRLGEKTFEQAAGFLRVMNGDNPLDASAVHPETYPLVQRIAADTERDIRSLIGDSAFLKRLDPKKFTDETFGLPTVTDILKELDKPGRDPRPEFKTAEFQEGVESLKDLKPGMVLEGVVTNVTNFGAFVDIGVHQDGLVHISALSEKFVKDPYEVVKAGDIVKVKVMEVDIPRNRVGLSMRMSDTPG |
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General information:
TITO was launched using:
| RESULT:
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Template: 2OCE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -18827 for 775 contacts (-24.3/contact) +
2D Compatibility (PS) -13133 + (NN) -7118 + (LL) 1236
1D Compatibility (HY) -4000 + (ID) 600
Total energy: -42442.0 ( -54.76 by residue)
QMean score : 0.264
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