Study : T0693 (models@predictioncenter.org)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [Kd < -3] : 5 (5 maxi)

Complexes [Theoretical Kd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: SAI_B_2(1XTP) / Model_34(1RI1/A) = [-6.6] Download--MIDLAPLVRRLAGTPLAEWANGLQAQLDTKMSKGHGDLQRWQSALDALPALQPEKVDLTDSFTLETECDGETRTVLRKALLGLSPWRKGPFNVFGVHIDTEWRSDWKWSRVSPHLDLKGKRVLDVGCGNGYYQWRMLGAGADSVIGVDPNWLFFCQFQAMQRYLPDLPAWHLPFALEDLPANLEGFDTVFSMGVLYHRKSPIDHLLALKDCLVKGGELVMETLVIPGDVHQVLVPEDRYAQMRNVWFLPSVPALELWMRRAGFTDVRCVDVSHTTVEEQRSTEWMRFQSLGDYLDPNDHSKTVEGLPAPMRAVIVGRKP
Complex: SAM_A_2(3NDI) / Model_36(1UFK/A) = [-5.0] Download--MIDLAPLVRRLAGTPLAEWANGLQAQLDTKMSKGHGDLQRWQSALDALPALQPEKVDLTDSFTLETECDGETRTVLRKALLGLSPWRKGPFNVFGVHIDTEWRSDWKWSRVSPHLDLKGKRVLDVGCGNGYYQWRMLGAGADSVIGVDPNWLFFCQFQAMQRYLPDLPAWHLPFALEDLPANLEGFDTVFSMGVLYHRKSPIDHLLALKDCLVKGGELVMETLVIPGDVHQVLVPEDRYAQMRNVWFLPSVPALELWMRRAGFTDVRCVDVSHTTVEEQRSTEWMRFQSLGDYLDPNDHSKTVEGLPAPMRAVIVGRKP
Complex: SAI_B_2(1XTP) / Model_2(3SMQ/A) = [-4.8] Download--MIDLAPLVRRLAGTPLAEWANGLQAQLDTKMSKGHGDLQRWQSALDALPALQPEKVDLTDSFTLETECDGETRTVLRKALLGLSPWRKGPFNVFGVHIDTEWRSDWKWSRVSPHLDLKGKRVLDVGCGNGYYQWRMLGAGADSVIGVDPNWLFFCQFQAMQRYLPDLPAWHLPFALEDLPANLEGFDTVFSMGVLYHRKSPIDHLLALKDCLVKGGELVMETLVIPGDVHQVLVPEDRYAQMRNVWFLPSVPALELWMRRAGFTDVRCVDVSHTTVEEQRSTEWMRFQSLGDYLDPNDHSKTVEGLPAPMRAVIVGRKP
Complex: SAM_A_7(3E23) / Model_43(3M33/A) = [-4.6] Download--MIDLAPLVRRLAGTPLAEWANGLQAQLDTKMSKGHGDLQRWQSALDALPALQPEKVDLTDSFTLETECDGETRTVLRKALLGLSPWRKGPFNVFGVHIDTEWRSDWKWSRVSPHLDLKGKRVLDVGCGNGYYQWRMLGAGADSVIGVDPNWLFFCQFQAMQRYLPDLPAWHLPFALEDLPANLEGFDTVFSMGVLYHRKSPIDHLLALKDCLVKGGELVMETLVIPGDVHQVLVPEDRYAQMRNVWFLPSVPALELWMRRAGFTDVRCVDVSHTTVEEQRSTEWMRFQSLGDYLDPNDHSKTVEGLPAPMRAVIVGRKP
Complex: SAM_A_2(3NDI) / Model_34(1RI1/A) = [-4.6] Download--MIDLAPLVRRLAGTPLAEWANGLQAQLDTKMSKGHGDLQRWQSALDALPALQPEKVDLTDSFTLETECDGETRTVLRKALLGLSPWRKGPFNVFGVHIDTEWRSDWKWSRVSPHLDLKGKRVLDVGCGNGYYQWRMLGAGADSVIGVDPNWLFFCQFQAMQRYLPDLPAWHLPFALEDLPANLEGFDTVFSMGVLYHRKSPIDHLLALKDCLVKGGELVMETLVIPGDVHQVLVPEDRYAQMRNVWFLPSVPALELWMRRAGFTDVRCVDVSHTTVEEQRSTEWMRFQSLGDYLDPNDHSKTVEGLPAPMRAVIVGRKP
Consensus
[Kd Mean = -5.12]
-0
(s=0)
0
(s=0)
MIDLAPLVRRLAGTPLAEWANGLQAQLDTKMSKGHGDLQRWQSALDALPALQPEKVDLTDSFTLETECDGETRTVLRKALLGLSPWRKGPFNVFGVHIDTEWRSDWKWSRVSPHLDLKGKRVLDVGCGNGYYQWRMLGAGADSVIGVDPNWLFFCQFQAMQRYLPDLPAWHLPFALEDLPANLEGFDTVFSMGVLYHRKSPIDHLLALKDCLVKGGELVMETLVIPGDVHQVLVPEDRYAQMRNVWFLPSVPALELWMRRAGFTDVRCVDVSHTTVEEQRSTEWMRFQSLGDYLDPNDHSKTVEGLPAPMRAVIVGRKP