Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKTKTLFIFSAILTLSIFAPNETFAQTAGNLIEPKIINAETAQFSTKKLRKVDQMIERDIA-AGFPGAVLVVVKDGRIIKKAAYGYSKKYEGSELLRRPAKMKTRTMFDLASNTKMYATNFALQRLVSQGKLDVYEKVSAYLPGFKDQP------------GDLIKGKDKIRVIDVLQHQSGLPSSFYFYTPEK------AGKYYSQERDKTIEYLTKIPLDYQTGTKHVYSDIGYMLLGCIVEKLTGKPLDVYTEQELYKPLRLKHTLYNPLQKGFKPKQFAATERMGNTRDGVIQFPNIRTNTLQGEVHDEKAFYSMDGVSGHAGLFSNADDMAILLQVMLNKGSYRNISLFDQKTADLFTAPSAT---------------DPTFALGWRRNGSKSMEWMFGPHASENAYGHTGWTGTVTIIDPAYNLGIALLTNKKHTPVIDPEENPNVFEGDQFPTGSYGSVITAIYEAME |
4IVK Chain:A ((37-425)) | -----------------------------------------AGFTSEGLARIDAYLKNEIQAKTMPGAVMMIKRNGETAYFSSFGLRDP-------DTKEPMTAETIFRIYSMSKPIT-TVAAMMLVEEGKLQLDEPVSKYIPSFANVKVGVETKGENGMALETGPVKRAITIQDLMRHTSGITYGFVGDGLVKKAYIASNLFDGDFDNAEFAERIAKLPLVYQPGTTWDYGH-STDILGRVVEVVSGKSLYQFEKERLLDPLGMKDTGFYVTDPAK--KSLVAEAMPNDRKIGG------------SEMFDPR--VQKKWEPGGQGMVSTIGDYARFTQMVLNGGTLDGKRYLSPKTIAYMGSNHIPQASGIVPGAYYLPGPGVGFGLGFAVRTEAGVTPV---EGSVGDLSWGGAGGTVFWIDPKENLTVVFMAPMVSPRA-----------------RVWRTLRNIVYGAFD |
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General information:
TITO was launched using:
| RESULT:
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Template: 4IVK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -105481 for 3115 contacts (-33.9/contact) +
2D Compatibility (PS) -37225 + (NN) -10446 + (LL) 5400
1D Compatibility (HY) -19600 + (ID) 4400
Total energy: -171752.0 ( -55.14 by residue)
QMean score : 0.430
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