Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | ----------------------------------------------MKQAGFPLGILLLFWVSYVTDFSLVLLIKGGALSGTDTYQSLVNK--TFGFPGYLLLSVLQFLYPFIA---MISYNIIAGDTLSKVFQRIPGVDPENVFIGRHFII-GLSTVTFTLPLSL----YRNIAKLGKVSLISTGL--TTLILGIVMARAISLGPHIPKTEDAWVFAKPNAIQAVGVMSF----AFICHHNSFLVYSSLEEPTVAKWSRLIHMSIVISVFICIFFATCGYLTFTGFTQGDLFENYC-RNDDLVTFGR-FCYGVTVILTYPMECF---VTREVIANVFFGGNLS-----SVFHIVVTVMVITVA----TLVSLLIDCLGIV----LELNGVLCATPLIFIIPSACYLKLSEEP-----------RTHSDKIMSCVMLPIGAVVMVFGFVMAIT-----NTQDCTHGQEMFYCFPDNFS-----LTNTSESHVQQTTQLS--TLNISIFQ- |
| 4PE2 Chain:A ((3-498)) | IEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWA----HDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIA-YPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTD-YSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTF--------KGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTNAAASNINKAKVASVESDYSSVKSAALSYYSDKNTMPPSGELDALETYMDTLPDKADIGGGYKLLLVNNKLALKIGDGTAADSVTLTKAQIEKLLSDIGPKKIYTENTLKTELQKNSTLKDGTLYIVLIDN |
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General information:
TITO was launched using:
| RESULT:
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Template: 4PE2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -387197 for 2981 contacts (-129.9/contact) +
2D Compatibility (PS) -39182 + (NN) 5910 + (LL) 1488
1D Compatibility (HY) 4400 + (ID) 3700
Total energy: -418281.0 ( -140.32 by residue)
QMean score : 0.183
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