Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSAEVRLRRLQQLVLDPGFLGLEPLLDLLLGVHQELGASELAQDKYVADFLQWAEPIVVRLKEVRLQRDDFEILKVIGRGAFSEVAVVKMKQTG----QVYAMKIMNKWDMLKRGEVSCFREERDVLVNGDRRWITQLHFAFQDENYLYLVMEYYVGGDLLTLLSK---FGERIPAEMARFYLAEIVMAIDSVHRLGYVHRDIKPDNILLDRCGHIRLADFGSCLKLRADGTVRSLVAVGTPDYLSPEILQAVGGGPGTGSYGPECDWWALGVFAYEMFYGQTPFYADSTAETYGKIVHYKEHLSLPLVDEGVPEEARDFIQRLLC-PPETRLGRG--GAGDFRTHPFFFGLDWDGL--RDSVPPFTPDFEGATDTCNFDLVEDGLTAMVSGGGETLSDIREGAPLGVHLPFVGYSYSCMALRDSEVPGPTPMELEAEQLLEPHVQAPSLEPSVSPQDETAEVAVPAAVPAAEAEAEVTLRELQEALEEEVLTRQSLSREMEAIRTDNQNFASQLREAEARNRDLEAHVRQLQERMELLQAEGATAVTGVPSPRATDPPSHLDGPPAVAVGQCPLVGPGPMHRRHLLLPARVPRPGLSEALSLLLFAVVLSRAAALGCIGLVAHAGQLTAVWRRPGAARAP |
| 4NUS Chain:A ((17-322)) | -------------------------------------------THHVKEGHEKADP------------SQFELLKVLGQGSFGKVFLVK-KISGSDARQLYAMKVLKKATLKVRDRVRT-KMERDILVEVNHPFIVKLHYAFQTEGKLYLILDFLRGGDLFTRLSKEVMFTE----EDVKFYLAELALALDHLHSLGIIYRDLKPENILLDEEGHIKLTDFGLS-KESIDHEKKAYSFCGTVEYMAPEVVNRRG-------HTQSADWWSFGVLMFEMLTGTLPFQGKDRKETMTMIL--KAKLGMP---QFLSPEAQSLLRMLFKRNPANRLGAGPDGVEEIKRHSFFSTIDWNKLYRREIHPPFKPAT------FYFDP-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4NUS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -155293 for 2214 contacts (-70.1/contact) +
2D Compatibility (PS) -31326 + (NN) -17843 + (LL) 23772
1D Compatibility (HY) -24800 + (ID) 6100
Total energy: -211590.0 ( -95.57 by residue)
QMean score : 0.438
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