Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | --MKIIYCITKAD--NGGAQTHLIQLANHFCVH-HDVYVIVGNHGPMIEQLDARVNVIILEHL-VGPIDFKQDILAVKVLAQLFSKIKP---------DVIHLHSSKAGTVGRIAKFISKSKDTRVVFTAHGWAFTE-GVKPAKKFLYLVIEKLMSCITDSIICV-SDFDKQLALKYRFNRLKLTTIHNGIADVPAVKQTLKSQSHNNIGEVVGMLPNKQDLQINAPTKHQFVMIARFAYPKLPQNLIAAIEILKLHNSNHAHFTFIGDGPTLNDCQQQVVQAGLENDVTFLGNV--INASHLLSQYDTFILISKHEGLPISIIEAMATGLPVIASHVGGISELVADN--GICMMNNQPETIAKVLEKYLIDSDYIKMSNQSRKRYLECFTEEKMIKEVEDVYNGKSTQ---------- |
| 3C48 Chain:A ((19-438)) | SHMRVAMISMHTSPLQQGMNVYILSTATELAKQGIEVDIYTRATRPSQGEIVRVAENLRVINIAAGPYEGLSKEELPTQLAAFTGGMLSFTRREKVTYDLIHSHY---WLSGQVGWLLRDLWRIPLIHTAHTLAAVKNSYDTPESEARRICEQQLVDNADVLAVNTQEEMQDLMHHYDADPDRISVVSPGADVELYSPGTERSRRELGIP----------------LHTKVVAFVGRLQPFKGPQVLIKAVAALFDRDPD-RNLRVIICGGPSDTYRHMAEELGVEKRIRFLDPRPPSELVAVYRAADIVAVPSFNESFGLVAMEAQASGTPVIAARVGGLPIAVAEGETGLLVDGHSPHAWADALATLLDDDETRIRMGEDAVEHARTFSWAATAAQLSSLYNDAIANENVDGETHHG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C48.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -266236 for 3125 contacts (-85.2/contact) +
2D Compatibility (PS) -40334 + (NN) -18558 + (LL) 1376
1D Compatibility (HY) -3200 + (ID) 3250
Total energy: -330202.0 ( -105.66 by residue)
QMean score : 0.511
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