Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTDAIRYEKGQDNVVVLTMDMPGQSANTMNGVYREAMAKTIARLEAEKEGIAGVVLTSAKKTFFAGGDLNELIKVTKADAPAFYQGILELKGQLRRLETLGKPVVAAINGAALGGGWEICLACHHRIALDNPGVQLGLPEVTLGLLPGGGGIVRMVRLLGLEKALPYLAEGKKVRPAEALKAGLIHELADSPEEMLEKARAWILANPAAKQPWDSAGYKIPGGTPASPNVAQMLAIAPSVLRDKTKGCFPAPEKIMCAAVEGAQVDFDTAQLIEARYFTELTTGQVAKNMIGTFWFQLNEINAGKSRPQGYPVRATKKVGVLGAGMMGAGIAYVSAAAGIEVVLKDVSLEAAEKGKAYSARLLDKKVARGHLSAEKRDAFLARIVPSVSEADFEGCDLIIEAVFEDRALKGKVTAEAEKHALADAVVASNTSTLPITGLAQAVARPEKFIGLHFFSPVDKMPLVEIIRGEKTSDETLARGFDYVLQIKKTPIVVNDSRGFFTSRVFGTFTNEGIAMLGEGVSAAMIDNQARQAG--MPVGPLAISD----EVSLSLMTHIRNQTARDLEAEGKALPTHPAFAVIDLMVNEYKRP---GKAAGAGFYDYPANGRKHLWAELKSRFEKPDAQISAEDVRDRLLFIQAIETVRCVEEGVLHSTADANIGSIFGIGFAAWSGGALQFINQYGLKDFIARAQYLVEQYGERFEPPALLLEKAAKGELF |
4KUG Chain:B ((2-280)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KKVFVLGAGTMGAGIVQAFAAKGCEVIVRDIKEEFVDRGIATITKSLSKLVAKEKITEADKEEILSRISGTTDMKLAADCDLVVEAAIENMKIKKEIFAELDGICKPETILASNTSSLSITEVASATKRADKVIGMHFFNPAPVMKLVEVIRGAATSQETFDAVKEMSESIGKTPVEVAEAPGFVVNRILIPMINEATFILQEGVAKEEDIDAAMKLGANHPMGPLALGDLIGLDVCLAIMDVLYNETG-DTKYRASSL------------LRKYVRAGWLGRKTGKGFYDYSK----------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4KUG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -87221 for 2204 contacts (-39.6/contact) +
2D Compatibility (PS) -29469 + (NN) -10320 + (LL) 30572
1D Compatibility (HY) -17200 + (ID) 5250
Total energy: -118888.0 ( -53.94 by residue)
QMean score : 0.401
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