Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | VALEDKDLRSIQEVRNLIESANKAQKELAAMSQQQIDTIVKAIADAGYGAREKLAKMAHEETGFGIWQDKVIKNVFASKHVYNYIKDMK--TIGMLKEDNEKKVMEVAVPLGVVAGLIPSTNPTSTVIYKTLISIKAGNSIVFSPHPNALKAILETVRIISEAAEKAGCPKGAISCMTVPTIQGTDQLMKHKDTAVILATGGSAMVKAAY----SSGTPAIGVGPGNGPAFIERSANIPRAVKHILDSKTFDNGTICASEQSVVVERVNKEAVIAEFRKQG---------------AHFLSDAEAVQLGKFILRPNGSMNPAIVGKSVQHIANLAGLTVPADARVLIAEETKVGAKIP-YSREKLAPILAFYTAETWQEACELSMDILYHEGAGHTLIIHSEDKEIIREFALKKPVSRLLVNTPGALGGIGATTNLVPALTLGCG-AVGGSSSSDNIGPENLFNIRRIATGVLELEDIRKEENQATSELPVDADALIQSLVEKVLAELK |
| 3I44 Chain:A ((54-496)) | --CAVISLGSTRDADKAINAAKKAFQTWKTTSPHERLGFVEKILEIYEKRSSDMAKTISMEMGAPIDMALNAQTATGSSHIRNFIKAYKEFSFQEALIEGNEQAILHYDAIGVVGLITPWNWPMNQVTLKVIPALLAGCTMVLKPSEIAPLSAMLFAEIL----DEAALPSGVFNLINGDGANVGSYLSAHPDLEMISFTGSTRAGKDISKNASNTLKRVCLELGGKGANIIFADADIDALQ-RGVRHCFYNSGQSCNAPTRMLVEQAIYDKAIKTAKDIAEKTQVGPGHQTGNHIGPVVSKEQYDKIQDLIQSGIDEGATLVTGGTGLPMGMERGYYVRPT---VF---ADVKPHMRIFREEIFGPVLSLLPFNTEDEAVTLAND----TEYGLTNYIQSQDRSKCRRIAAQVRSGMVEVNGHEL----------PGGSYFGGVKFSGRAREGGLWGIKEFLDTKAISY--------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3I44.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -136378 for 3710 contacts (-36.8/contact) +
2D Compatibility (PS) -45306 + (NN) -19697 + (LL) 5896
1D Compatibility (HY) -8800 + (ID) 4000
Total energy: -208285.0 ( -56.14 by residue)
QMean score : 0.454
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