Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAGGPGPGEPAAPGAQHFLYEVPPWVMCRFYKVMDALEPADWCQFAALIVRDQTELRLCERSGQRTASVLWPWINRNARVADLVHILTHLQLLRARDIITAWHPPAPLPSPGTTAPRPSSIPAPAEAEAWSPRKLPSSASTFLSPAFPGSQTHSGPELGLVPSPASLWPPPPSPAPSSTKPGPESSVSLLQGARPFPFCWPLCEISRGTHNFSEELKIGEGGFGCVYRAVMRNTVYAVKRLKENADLEWTAVKQSFLTEVEQLSRFRHPNIVDFAGYCAQNGFYCLVYGFLPNGSLEDRLHCQTQACPPLSWPQRLDILLGTARAIQFLHQDSPSLIHGDIKSSNVLLDERLTPKLGDFGLARF-SRFAGSSPSQSSMVARTQTVRGTLAYLPEEYIKTGR---LAVDTDTFSFGVVVLETLAGQRAVKTHGARTKYLKDLVEEEAEEAGVALRSTQSTLQAGLAADAWAAPIAMQIYKKHLDPRPGPCPPELGLGLGQLACCCLHRRAKRRPPMTQVYERLEKLQAVVAGVPGHSEAASCIPPSPQENSYVSSTGRAHSGAAPWQPLAAPSGASAQAAEQLQRGPNQPVESDESLGGLSAALRSWHLTPSCPLDPAPLREAGCPQGDTAGESSWGSGPGSRPTAVEGLALGSSASSSSEPPQIIINPARQKMVQKLALYEDGALDSLQLLSSSSLPGLGLEQDRQGPEESDEFQS |
4E4X Chain:A ((43-234)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RIGSGSFGTVYKGKWHGDV-AVKMLNVTAPTPQQL--QAFKNEVGVLRKTRHVNILLFMGYSTKPQL-AIVTQWCEGSSLYHHLHIIETKFEMI---KLIDIARQTAQGMDYLH--AKSIIHRDLKSNNIFLHEDLTVKIGDFGLATVKSRWS---------------LSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQ--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4E4X.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -86181 for 1318 contacts (-65.4/contact) +
2D Compatibility (PS) -18927 + (NN) -3395 + (LL) 24340
1D Compatibility (HY) -18400 + (ID) 3300
Total energy: -105863.0 ( -80.32 by residue)
QMean score : 0.240
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