Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLEIKNLNCVLNSHFSLQNINISLSYSERVAIVGESGSGKSSIANLVMRLNPRFKPHNGEILFETTNLLKESEAFMQHLRGNIIAYIAQDPLSSLNPLHKIGKQMSEAYFLHHKNAS--QVLLKEQVLNA---MKQVQLD-EKFLDRYPYELSGGQRQRVCIAMGIINAPKLLICDEPTTALDAQIQNQILDLLKQLSVEKNIALLFISHDLKAVKRLADRVYVLKKGEIVETNLTKELFNDPKHEYSKLLIQASNLPAKNLKALDETLLEVKDFSVYYLQKRFFRPSLKKPLIASVDFSLKAKENIGIIGESGSGKSSLALGLLKLALNSGEEKILGQSVGLLNSKAFKPYRKILQMVFQDPYASLNPRLSIQSILIEALRFAYPKASQQEWHHLAELCLEEVCLNPELLNFYAYELSGGERQRVAIARAIALKPRIILLDEPTSALDKSIQKSVLELLLNLQEKQDLSYLFISHDLDVIKAFCDRVLVVSEGKIVETGAIEEVFDNPKHAYTKRLLESRL |
| 4S0F Chain:A ((505-725)) | ----------------LKNINLTIPKGKTVAIVGESGSGKTTLAKLLMNF---YSPEKGDILINGHSIKNIS---LELIRKKI-AFVSQD-------VFIFSGTVKENLCLGNENVDMDEIIKAAKMANAHDFIEKLPLKYDTFLNESGANLSEGQKQRLAIARALLKKPDILILDQATSNLDSITENHIKDAIYGL--EDDVTVIIIAHRLSTIVN-CDKIYLLKDGEIVESGSHTELIA-LKGCYFKMWKQTE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4S0F.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -101770 for 1628 contacts (-62.5/contact) +
2D Compatibility (PS) -22991 + (NN) -10985 + (LL) 22972
1D Compatibility (HY) -21600 + (ID) 3700
Total energy: -138074.0 ( -84.81 by residue)
QMean score : 0.375
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