| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: BEZ_A_2(6EF6) / Model_65(6EF6/A) = [3.2]
| Download | 400.82 | 27.14 | MRLLPNPERAWERAAHVQTLARAEIERRIPPFTGEVEVLSGGHANVNVRLGAERVLRVYRRDASAAPKEASLLAHGWRSFRVPAVLSAGDDFLVLEHVPHVPLQDTAMCGAAVGRALAEIHGVGYDSAGFLGPELAVSVPFADCIGALRGHVDAVLDRLAPALRGELSERVRAFLDANAEALRALASAPVLLHGDFKASNLHWLSSGELLVLDWEFAYAGPGLMDVGQLLRWSPGREFVAAFAGAYRESAPLPEEFERWAAAFDLFNLVGLLDGVEPGSRRAADVCGRISEVVER |
| Complex: EDO_A_7(3F7W) / Model_57(3F7W/A) = [3.2]
| Download | 413.08 | 14.53 | MRLLPNPERAWERAAHVQTLARAEIERRIPPFTGEVEVLSGGHANVNVRLGAERVLRVYRRDASAAPKEASLLAHGWRSFRVPAVLSAGDDFLVLEHVPHVPLQDTAMCGAAVGRALAEIHGVGYDSAGFLGPELAVSVPFADCIGALRGHVDAVLDRLAPALRGELSERVRAFLDANAEALRALASAPVLLHGDFKASNLHWLSSGELLVLDWEFAYAGPGLMDVGQLLRWSPGREFVAAFAGAYRESAPLPEEFERWAAAFDLFNLVGLLDGVEPGSRRAADVCGRISEVVER |
| Complex: ADN_A_5(2Q83) / Model_66(2Q83/A) = [3.4]
| Download | 1137.27 | 22.33 | MRLLPNPERAWERAAHVQTLARAEIERRIPPFTGEVEVLSGGHANVNVRLGAERVLRVYRRDASAAPKEASLLAHGWRSFRVPAVLSAGDDFLVLEHVPHVPLQDTAMCGAAVGRALAEIHGVGYDSAGFLGPELAVSVPFADCIGALRGHVDAVLDRLAPALRGELSERVRAFLDANAEALRALASAPVLLHGDFKASNLHWLSSGELLVLDWEFAYAGPGLMDVGQLLRWSPGREFVAAFAGAYRESAPLPEEFERWAAAFDLFNLVGLLDGVEPGSRRAADVCGRISEVVER |
| Complex: AMP_A_3(4R78) / Model_61(4R78/A) = [3.8]
| Download | 897.17 | 31.28 | MRLLPNPERAWERAAHVQTLARAEIERRIPPFTGEVEVLSGGHANVNVRLGAERVLRVYRRDASAAPKEASLLAHGWRSFRVPAVLSAGDDFLVLEHVPHVPLQDTAMCGAAVGRALAEIHGVGYDSAGFLGPELAVSVPFADCIGALRGHVDAVLDRLAPALRGELSERVRAFLDANAEALRALASAPVLLHGDFKASNLHWLSSGELLVLDWEFAYAGPGLMDVGQLLRWSPGREFVAAFAGAYRESAPLPEEFERWAAAFDLFNLVGLLDGVEPGSRRAADVCGRISEVVER |
| Complex: GMP_A_2(5IGI) / Model_52(5IGI/A) = [4.7]
| Download | 1046.39 | 16.60 | MRLLPNPERAWERAAHVQTLARAEIERRIPPFTGEVEVLSGGHANVNVRLGAERVLRVYRRDASAAPKEASLLAHGWRSFRVPAVLSAGDDFLVLEHVPHVPLQDTAMCGAAVGRALAEIHGVGYDSAGFLGPELAVSVPFADCIGALRGHVDAVLDRLAPALRGELSERVRAFLDANAEALRALASAPVLLHGDFKASNLHWLSSGELLVLDWEFAYAGPGLMDVGQLLRWSPGREFVAAFAGAYRESAPLPEEFERWAAAFDLFNLVGLLDGVEPGSRRAADVCGRISEVVER |
Consensus
[pKd Mean = 3.66] | - | 778
(s=313) | 22
(s=6) | MRLLPNPERAWERAAHVQTLARAEIERRIPPFTGEVEVLSGGHANVNVRLGAERVLRVYRRDASAAPKEASLLAHGWRSFRVPAVLSAGDDFLVLEHVPHVPLQDTAMCGAAVGRALAEIHGVGYDSAGFLGPELAVSVPFADCIGALRGHVDAVLDRLAPALRGELSERVRAFLDANAEALRALASAPVLLHGDFKASNLHWLSSGELLVLDWEFAYAGPGLMDVGQLLRWSPGREFVAAFAGAYRESAPLPEEFERWAAAFDLFNLVGLLDGVEPGSRRAADVCGRISEVVER |