Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAGGPGPGEPAAPGAQHFLYEVPPWVMCRFYKVMDALEPADWCQFAALIVRDQTELRLCERSGQRTASVLWPWINRNARVADLVHILTHLQLLRARDIITAWHPPAPLPSPGTTAPRPSSIPAPAEAEAWSPRKLPSSASTFLSPAFPGSQTHSGPELGLVPSPASLWPPPPSPAPSSTKPGPESSVSLLQGARPFPFCWPLCEISRGTHNFSEELKIGEGGFGCVYRAVMRNTVYAVKRLKENADLEWTAVKQSFLTEVEQLSRFRHPNIVDFAGYCAQNGFYCLVYGFLPNGSLEDRLHCQTQACPPLSWPQRLDILLGTARAIQFLHQDSPSLIHGDIKSSNVLLDERLTPKLGDFGLA-RFSRFAGSSPSQSSMVARTQTVRGTLAYLPEEYIKTGR---LAVDTDTFSFGVVVLETLAGQRAVKTHGARTKYLKDLVEEEAEEAGVALRSTQSTLQAGLAADAWAAPIAMQIYKKHLDPRPGPCPPELGLGLGQLACCCLHRRAKRRPPMTQVYERLEKLQAVVAGVPGHSEAASCIPPSPQENSYVSSTGRAHSGAAPWQPLAAPSGASAQAAEQLQRGPNQPVESDESLGGLSAALRSWHLTPSCPLDPAPLREAGCPQGDTAGESSWGSGPGSRPTAVEGLALGSSASSSSEPPQIIINPARQKMVQKLALYEDGALDSLQLLSSSSLPGLGLEQDRQGPEESDEFQS |
4G9R Chain:B ((43-234)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RIGSGSFGTVYKGKWHGDV-AVKMLNVTAPTPQQL--QAFKNEVGVLRKTRHVNILLFMGYSTKPQL-AIVTQWCEGSSLYHHLHIIETKFEMI---KLIDIARQTAQGMDYLH--AKSIIHRDLKSNNIFLHEDLTVKIGDFGLATEK---------------------GSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQ--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4G9R.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -72929 for 1268 contacts (-57.5/contact) +
2D Compatibility (PS) -18275 + (NN) -3001 + (LL) 24980
1D Compatibility (HY) -16800 + (ID) 3200
Total energy: -89225.0 ( -70.37 by residue)
QMean score : 0.260
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