Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C6_S1 |
Complex: CHD_A_9(2HRC) / Model_45(2HRC/A) = [3.1]
| Download | 1521.25 | 33.13 | MNLINEKLNNLENSATKSPKEAVVLLNMGGPNSLYEVGVFLKNMFDDPFILTIKNNFMRKMVGKMIVNSRIEKSKKIYEKLGGKSPLTPITFALTERLNELDPSRFYTYAMRYTPPYASMVLQDLALKEIESLVFFSMYPQYSSTTTLSSFNDAFNALKSLETFRPKVRVIERFYADKKLNEIILNTILSALNNCKSQDFVLIFSVHGLPKSIVDAGDTYQQECEHHVSLLKELMQQKNIPFKEVLLSYQSKLGPMKWLEPSTEELIEKHRKSNIIIYPLAFTIDNSETLYELDMQYRLMAERLAVKEYLVCPCLNDSIEFAKFIIELVKNLKSE |
Complex: CHD_B_8(2PNJ) / Model_47(2PNJ/B) = [3.2]
| Download | 1402.72 | 32.54 | MNLINEKLNNLENSATKSPKEAVVLLNMGGPNSLYEVGVFLKNMFDDPFILTIKNNFMRKMVGKMIVNSRIEKSKKIYEKLGGKSPLTPITFALTERLNELDPSRFYTYAMRYTPPYASMVLQDLALKEIESLVFFSMYPQYSSTTTLSSFNDAFNALKSLETFRPKVRVIERFYADKKLNEIILNTILSALNNCKSQDFVLIFSVHGLPKSIVDAGDTYQQECEHHVSLLKELMQQKNIPFKEVLLSYQSKLGPMKWLEPSTEELIEKHRKSNIIIYPLAFTIDNSETLYELDMQYRLMAERLAVKEYLVCPCLNDSIEFAKFIIELVKNLKSE |
Complex: CHD_B_9(4MK4) / Model_30(4MK4/B) = [3.4]
| Download | 1382.38 | 30.90 | MNLINEKLNNLENSATKSPKEAVVLLNMGGPNSLYEVGVFLKNMFDDPFILTIKNNFMRKMVGKMIVNSRIEKSKKIYEKLGGKSPLTPITFALTERLNELDPSRFYTYAMRYTPPYASMVLQDLALKEIESLVFFSMYPQYSSTTTLSSFNDAFNALKSLETFRPKVRVIERFYADKKLNEIILNTILSALNNCKSQDFVLIFSVHGLPKSIVDAGDTYQQECEHHVSLLKELMQQKNIPFKEVLLSYQSKLGPMKWLEPSTEELIEKHRKSNIIIYPLAFTIDNSETLYELDMQYRLMAERLAVKEYLVCPCLNDSIEFAKFIIELVKNLKSE |
Complex: CHD_A_4(3AQI) / Model_17(3AQI/A) = [3.4]
| Download | 1530.44 | 29.10 | MNLINEKLNNLENSATKSPKEAVVLLNMGGPNSLYEVGVFLKNMFDDPFILTIKNNFMRKMVGKMIVNSRIEKSKKIYEKLGGKSPLTPITFALTERLNELDPSRFYTYAMRYTPPYASMVLQDLALKEIESLVFFSMYPQYSSTTTLSSFNDAFNALKSLETFRPKVRVIERFYADKKLNEIILNTILSALNNCKSQDFVLIFSVHGLPKSIVDAGDTYQQECEHHVSLLKELMQQKNIPFKEVLLSYQSKLGPMKWLEPSTEELIEKHRKSNIIIYPLAFTIDNSETLYELDMQYRLMAERLAVKEYLVCPCLNDSIEFAKFIIELVKNLKSE |
Complex: CHD_A_3(1HRK) / Model_20(1HRK/A) = [3.5]
| Download | 1410.71 | 29.10 | MNLINEKLNNLENSATKSPKEAVVLLNMGGPNSLYEVGVFLKNMFDDPFILTIKNNFMRKMVGKMIVNSRIEKSKKIYEKLGGKSPLTPITFALTERLNELDPSRFYTYAMRYTPPYASMVLQDLALKEIESLVFFSMYPQYSSTTTLSSFNDAFNALKSLETFRPKVRVIERFYADKKLNEIILNTILSALNNCKSQDFVLIFSVHGLPKSIVDAGDTYQQECEHHVSLLKELMQQKNIPFKEVLLSYQSKLGPMKWLEPSTEELIEKHRKSNIIIYPLAFTIDNSETLYELDMQYRLMAERLAVKEYLVCPCLNDSIEFAKFIIELVKNLKSE |
Consensus [pKd Mean = 3.32] | - | 1449 (s=63) | 30 (s=1) | MNLINEKLNNLENSATKSPKEAVVLLNMGGPNSLYEVGVFLKNMFDDPFILTIKNNFMRKMVGKMIVNSRIEKSKKIYEKLGGKSPLTPITFALTERLNELDPSRFYTYAMRYTPPYASMVLQDLALKEIESLVFFSMYPQYSSTTTLSSFNDAFNALKSLETFRPKVRVIERFYADKKLNEIILNTILSALNNCKSQDFVLIFSVHGLPKSIVDAGDTYQQECEHHVSLLKELMQQKNIPFKEVLLSYQSKLGPMKWLEPSTEELIEKHRKSNIIIYPLAFTIDNSETLYELDMQYRLMAERLAVKEYLVCPCLNDSIEFAKFIIELVKNLKSE |