Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPPAVGGPVGYTPPDGGWGWAVVIGAFISIGFSYAFPKSITVFFKEIEGIFHATTSEVSWISSIMLAVMYGGGPISSILVNKYGSRIVMIVGGCLSGCGLIAASFCNTVQQLYVCIGVIGGLGLAFNLNPALTMIGKYFYKRRPLANGLAMAGSPVFLCTLAPLNQVFFGIFGWRGSFLILGGLLLNCCVAGALMRPIGPKPTKAGKDKSKASLEKAGKSGVKKDLHDANTDLIGRHPKQEKRSVFQTINQFLDLTLFTHRGFLLYLSGNVIMFFGLFAPLVFLSSYGKSQHYSSEKSAFLLSILAFVDMVARPSMGLVANTKPIRPRIQYFFAASVVANGVCHMLAPLS----TTYVGFCVYAGFFGFAFGWLSSVLFETLMDLVGPQRFSSAVGLVTIVECCPVLLGPPLLGRLNDMYGDYKYTYWACGVVLIISGIYLFIGMGINYRLLAKEQKANEQKKESKEEETSIDVAGKPNEVTKAAESPDQKDTDGGPKEEESPV |
1PW4 Chain:A ((54-199)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YLVEQGFSRGDLGFALSGISIAYGFSKFIMGSVSDRSNPR-VFL-PA--GLILAAAVMLFMGFVPWATSSIAVMFVLLFLCGWFQGMGWPPCGRTMVHWWSQKERGGIVSVWNCAHNVGGGIPPLLFLLGMAWFNDWHAALYMPAFCAILVALFAFAMMRDTPQSCGLPPIEEYKNDTAKQIFMQYVLPNKLLWYIAIANVFVYLLRYGILDWSPTYL |
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General information:
TITO was launched using:
| RESULT:
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Template: 1PW4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -98484 for 950 contacts (-103.7/contact) +
2D Compatibility (PS) -14028 + (NN) -12 + (LL) 16788
1D Compatibility (HY) -9600 + (ID) 950
Total energy: -106286.0 ( -111.88 by residue)
QMean score : 0.054
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