Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKYSAIP-TPCYALESERLEKNAKILEIVRQQSGAKVLLALKGYAFWREFGILRQKLNGCCASGLYEAKLAFEEFGGRESHKEICVYSPAFKEAEMSAILPLATS-IIFNSFHQYATYKDRILDKNKQLENLGLSPIKMGLRINPLYSEVTPAIYNPCSKMSRLGITPSGFEKGVKE--HGLEGVSGLHFHTHCEQN-ADALCRTLEHVERHFKPY---LENMAWVNFGGGHHITRSDYD-VNLLIQTIKDFKER-Y--HNTEVILEPGEAIGWQCGFLIASVIDIVQ-NDQEIAILDASFSAHMPDCLEMPY--RPSILKVSVENDEEIIEVEKGENQGAFSYFLGGPTCLAGDFMGS-FSFETPLKRGDKIVFQDMLHYTIVKNNSFNGVPLPSLAKIDSQGFKILKSFSYEDYKNRN |
2NVA Chain:A ((12-372)) | ----HPHQTKSFYVSSPKIVEDLIDQWTILFP--RVTPHYAVKCNNDEVLLKTMCDKNVNFDCASSSEIKKVIQI--GV-SPSRIIFAHTMKTIDDLIFAKDQGVDIATFDSSFELDKIHTYH------------PNCKMILRIRCDDPN------ATVQLGNKFGANEDEIRHLLEYAKQLDIEVIGISFHVGSGSRNPEAYYRAIKSSKEAFNEAISVGHKPYILDIGGGLHADID---LSTYMSDYINDAIKDFFPEDTVTIVAEPGRFFAEHYSVLATQVIGKRVRDGLYEYFFNESTYGGFSNVIFEKSVPTPQLLRDV------------PDDEEYVPSVLYGCTCDGVDVINHNVALP-ELHIGDWVYFPSWGAYTNVLTTSFNGFGEYDVYYI-------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2NVA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -185016 for 2875 contacts (-64.4/contact) +
2D Compatibility (PS) -36682 + (NN) -12010 + (LL) 3764
1D Compatibility (HY) -9200 + (ID) 2900
Total energy: -242044.0 ( -84.19 by residue)
QMean score : 0.433
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