Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPSKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQ-AGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDT-GEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKEEKEEEKEKEEKESDDKPEIEDVGSDEEEEEKKDGDKKKKKKIKEKYIDQEELNKTKPIWTRNPDDITNEEYGEFYKSLTNDWEEHLAVKHFSVEGQLEFRALLFVPRRAPFDLFENRKKKNNIKLYVRRVFIMDNCEELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNLVKKCLELFTELAEDKENYKKFYEQFSKNIKLGIHEDSQNRKKLSELLRYYTSASGDEMVSLKDYCTRMKENQKHIYFITGETKDQVANSAFVERLRKHGLEVIYMIEPIDEYCVQQLKEFEGKTLVSVTKEGLELPEDEEEKKKQEEKKTKFENLCKIMKDILEKKVEKVVVSNRLVTSPCCIVTSTYGWTANMERIMKAQALRDNSTMGYMAAKKHLEINPDHSIIETLRQKAEADKNDKSVKDLVILLYETALLSSGFSLEDPQTHANRIYRMIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSRMEEVD |
3PEH Chain:A ((21-281)) | --------------ESMESHQYQTEVTRLMDIIVNSLYTQKEVFLRELISNAADALEKIRFLSLSDESVLGEEKKLEIRISANKEKNILSITDTGIGMTKVDLINNLGTIAKSGTSNFLEAISKSGGDMSLIGQFGVGFYSAFLVADKVIVYTKNNDDEQYIWESTADAKFTIYKDPRGATLKRGTRISLHLKEDATNLLNDKKLMDLISKYSQFIQFPIYLLHENVYTEEVLADIAKDMVN-----D----PNYDSVKVEETDDP----------NKKTRTVEKKVKKWTLMN--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PEH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -55141 for 1975 contacts (-27.9/contact) +
2D Compatibility (PS) -28267 + (NN) -10972 + (LL) 34564
1D Compatibility (HY) -25600 + (ID) 6350
Total energy: -91766.0 ( -46.46 by residue)
QMean score : 0.211
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