Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVSRDQAHLGPKYVGLWDFKSRTDEELSFRAGDVFHVARKEEQWWWATLLDEAGGAVAQGYVPHNYLAERETVESEPWFFGCISRSEAVRRLQAEGNATGAFLIRVSEKPSADYVLSVRDTQAVRHYKIWRRAGGRLHLNEAVSFLSLPELVNYHRAQSLSHGLRLAAPCRKHEPEPLPHWDDWERPREEFTLCRKLGSGYFGEVFEGLWKD------RVQVAIKVISRDNLL-HQQMLQSEIQAMKKL-RHKHILALYAVVSVGDPVYIITELMAKGSLLELLRDSD--------EKVLPVSELLDIAWQVAEGMCYLESQNYIHRDLAARNILVGENTLCKVGDFGLARLIKEDVYLS--HDHNIPYKWTAPEALSRGHYSTKSDVWSFGILLHEMFSRGQVPYPGMSNHEAFLRVDAGYRMPCPLECPPSVHKLMLTCWCRDPEQRPCFKALRERLSSFTSYENPT |
2PVF Chain:A ((23-318)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ELPEDPKWEFPRDKLTLGKPLGEGAFGQVVMAEAVGIDKDKP-VTVAVKMLKDDATEKDLSDLVSEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASKGNLREYLRARRPPGMEYSY--QMTFKDLVSCTYQLARGMEYLASQKCIHRDLAARNVLVTENNVMKIADFGLARDINNIDYYKKTTNGRLPVKWMAPEALFDRVYTHQSDVWSFGVLMWEIFTLGGSPYPGIPVEELFKLLKEGHRMDKPANCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRILTLTT-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PVF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -187378 for 2112 contacts (-88.7/contact) +
2D Compatibility (PS) -29150 + (NN) -18586 + (LL) 13044
1D Compatibility (HY) -23200 + (ID) 5600
Total energy: -250870.0 ( -118.78 by residue)
QMean score : 0.455
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