Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKKFLSLTLGSLLVSALSAEDNGFFVSAGYQIGESAQMVKNTKGIQDLSDSYERLNNLLTNYSVLNALIRQSADPNAINNARGNLNASAKNLINDKKNSPAYQAVLLALNAAAGLWQVMSYAISPCGPGKDTSKNGGVQTFHNTPSNQWGGTTITCGTTGYEPGPYSILSTENYAKINKAYQIIQKAFGSSGKDIPALSDTNTELKFTINKNNGNTNTNNNGEEIVTKNNAQVLLEQASTIITTLNSACPWINNGGAGGASSGSLWEGIYLKGDGSACGIFKNEISAIQ---DMIKNAAIAVEQSKIVAANAQNQRNLDTGKTFNPYKDAN---FAQSMFANAKAQAEILNRAQAVVKDFER----IPAEFVKDSLGVCHEVQNGHLRGTPS-GTVTDNTWGAGCAYVGETVTNLKDSIAHFGD-QAERIHNARN-LAYTLANFSSQYQKLGEHYDSITAAI-SSLP-DAQSLQNVVSKKTNPNSP-QG-IQDNYYIDSNIHSQVQSRSQELGSNPFRRAGLIAASTTNNGAMNGIGFQVGYKQFFGKNKRWGARYYGFVDYNHTYNKSQFFNASSDVWTYGVGSDLLVNFINDKATKHNKISFGAFGGIALAGTSWLNSQYVNLANVNNYYKAKINTANFQFLFNLGLRMNLARKKHRATDNAAQHGIELGTKIPTINTNYYSLLGTTLQYRRLYSVYLNYVFAY |
4NQI Chain:A ((14-243)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NPVIEITLKTINNLKVNSPPLFTEVIKAANKYQQQAQALSQAGLVLADTLTRLTIHNGGDFGEGFKKLADAIKDLENRRDDVAKVLLNEFITPNKQAIEDDQKAIATFEKNYKKDRDQMR--QDILKLEAKTRKAGKITELNDKIKESEQLNANKLRDVVLMERRKHATFLSQFNQFLEKEIELSADTMSKFSTNLNTHRDLINSQSQLPLEMESMISKQER------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4NQI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) 2926 for 1142 contacts (2.6/contact) +
2D Compatibility (PS) -21037 + (NN) -3257 + (LL) 23724
1D Compatibility (HY) -1200 + (ID) 1550
Total energy: -394.0 ( -0.35 by residue)
QMean score : 0.297
|
|
|