| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: LEU_A_2(1OBC) / Model_4(1OBC/A) = [3.2]
| Download | 16638.56 | 20.85 | MSFQHKEIEKKWQTYWLENKTFATLDNNEKQKFYALDMFPYPSGAGLHVGHPEGYTATDILSRMKRMQGYDVLHPMGWDAFGLPAEQYALDTGNDPAVFTKQNIDNFRRQIQALGFSYDWDREINTTDPEYYKWTQWIFLKLYEKGLAYVDEVPVNWCPALGTVLANEEVIDGKSERGGHPVERRPMKQWMLKITAYADRLLEDLEELDWPESIKDMQRNWIGRSEGAHVHFAIDGHDDSFTVFTTRPDTLFGATYTVLAPEHALVENITTAEQKEAVEAYIKEIQSKSDLERTDLAKTKTGVFTGAYAINPVNGEKLPIWIADYVLASYGTGAVMAVPGHDERDFEFAKTFGLPVKEVVKGGNVEEAAYTGDGEHVNSDFLNGLHKQEAIEKVIAWLEETKNGEKKVTYRLRDWLFSRQRYWGEPIPVIHWEDGTSTAVPEEELPLILPKTDEIKPSGTGESPLANIKEWVEVTDPETGKKGRRETNTMPQWAGSCWYFLRYIDPHNPDQLASPEKLEKWLPVDMYIGGAEHAVLHLLYARFWHKFLYDIGVVPTKEPFQKLYNQGMILGENNEKMSKSKGNVVNPDEIVASHGADTLRLYEMFMGPLDASIAWSESGLDGARRFLDRVWRLFIEDSGELNGKIVEGAGETLERVYHETVMKVTDHYEGLRFNTGISQLMVFINEAYKATELPKEYMEGFVKLLSPVAPHLAEELWEKLGHSGTIAYEAWPVYDETKLVDDEVEIVVQLNGKVKAKLQVPADATKEQLEQLAQADEKVKEQLEGKTIRKIIAVPGKLVNIVAN |
| Complex: LEU_A_2(1H3N) / Model_3(1H3N/A) = [3.3]
| Download | 22397.53 | 20.89 | MSFQHKEIEKKWQTYWLENKTFATLDNNEKQKFYALDMFPYPSGAGLHVGHPEGYTATDILSRMKRMQGYDVLHPMGWDAFGLPAEQYALDTGNDPAVFTKQNIDNFRRQIQALGFSYDWDREINTTDPEYYKWTQWIFLKLYEKGLAYVDEVPVNWCPALGTVLANEEVIDGKSERGGHPVERRPMKQWMLKITAYADRLLEDLEELDWPESIKDMQRNWIGRSEGAHVHFAIDGHDDSFTVFTTRPDTLFGATYTVLAPEHALVENITTAEQKEAVEAYIKEIQSKSDLERTDLAKTKTGVFTGAYAINPVNGEKLPIWIADYVLASYGTGAVMAVPGHDERDFEFAKTFGLPVKEVVKGGNVEEAAYTGDGEHVNSDFLNGLHKQEAIEKVIAWLEETKNGEKKVTYRLRDWLFSRQRYWGEPIPVIHWEDGTSTAVPEEELPLILPKTDEIKPSGTGESPLANIKEWVEVTDPETGKKGRRETNTMPQWAGSCWYFLRYIDPHNPDQLASPEKLEKWLPVDMYIGGAEHAVLHLLYARFWHKFLYDIGVVPTKEPFQKLYNQGMILGENNEKMSKSKGNVVNPDEIVASHGADTLRLYEMFMGPLDASIAWSESGLDGARRFLDRVWRLFIEDSGELNGKIVEGAGETLERVYHETVMKVTDHYEGLRFNTGISQLMVFINEAYKATELPKEYMEGFVKLLSPVAPHLAEELWEKLGHSGTIAYEAWPVYDETKLVDDEVEIVVQLNGKVKAKLQVPADATKEQLEQLAQADEKVKEQLEGKTIRKIIAVPGKLVNIVAN |
| Complex: LMS_A_7(1OBC) / Model_4(1OBC/A) = [6.0]
| Download | 664.49 | 17.63 | MSFQHKEIEKKWQTYWLENKTFATLDNNEKQKFYALDMFPYPSGAGLHVGHPEGYTATDILSRMKRMQGYDVLHPMGWDAFGLPAEQYALDTGNDPAVFTKQNIDNFRRQIQALGFSYDWDREINTTDPEYYKWTQWIFLKLYEKGLAYVDEVPVNWCPALGTVLANEEVIDGKSERGGHPVERRPMKQWMLKITAYADRLLEDLEELDWPESIKDMQRNWIGRSEGAHVHFAIDGHDDSFTVFTTRPDTLFGATYTVLAPEHALVENITTAEQKEAVEAYIKEIQSKSDLERTDLAKTKTGVFTGAYAINPVNGEKLPIWIADYVLASYGTGAVMAVPGHDERDFEFAKTFGLPVKEVVKGGNVEEAAYTGDGEHVNSDFLNGLHKQEAIEKVIAWLEETKNGEKKVTYRLRDWLFSRQRYWGEPIPVIHWEDGTSTAVPEEELPLILPKTDEIKPSGTGESPLANIKEWVEVTDPETGKKGRRETNTMPQWAGSCWYFLRYIDPHNPDQLASPEKLEKWLPVDMYIGGAEHAVLHLLYARFWHKFLYDIGVVPTKEPFQKLYNQGMILGENNEKMSKSKGNVVNPDEIVASHGADTLRLYEMFMGPLDASIAWSESGLDGARRFLDRVWRLFIEDSGELNGKIVEGAGETLERVYHETVMKVTDHYEGLRFNTGISQLMVFINEAYKATELPKEYMEGFVKLLSPVAPHLAEELWEKLGHSGTIAYEAWPVYDETKLVDDEVEIVVQLNGKVKAKLQVPADATKEQLEQLAQADEKVKEQLEGKTIRKIIAVPGKLVNIVAN |
| Complex: LMS_A_3(1H3N) / Model_3(1H3N/A) = [6.1]
| Download | 717.15 | 19.38 | MSFQHKEIEKKWQTYWLENKTFATLDNNEKQKFYALDMFPYPSGAGLHVGHPEGYTATDILSRMKRMQGYDVLHPMGWDAFGLPAEQYALDTGNDPAVFTKQNIDNFRRQIQALGFSYDWDREINTTDPEYYKWTQWIFLKLYEKGLAYVDEVPVNWCPALGTVLANEEVIDGKSERGGHPVERRPMKQWMLKITAYADRLLEDLEELDWPESIKDMQRNWIGRSEGAHVHFAIDGHDDSFTVFTTRPDTLFGATYTVLAPEHALVENITTAEQKEAVEAYIKEIQSKSDLERTDLAKTKTGVFTGAYAINPVNGEKLPIWIADYVLASYGTGAVMAVPGHDERDFEFAKTFGLPVKEVVKGGNVEEAAYTGDGEHVNSDFLNGLHKQEAIEKVIAWLEETKNGEKKVTYRLRDWLFSRQRYWGEPIPVIHWEDGTSTAVPEEELPLILPKTDEIKPSGTGESPLANIKEWVEVTDPETGKKGRRETNTMPQWAGSCWYFLRYIDPHNPDQLASPEKLEKWLPVDMYIGGAEHAVLHLLYARFWHKFLYDIGVVPTKEPFQKLYNQGMILGENNEKMSKSKGNVVNPDEIVASHGADTLRLYEMFMGPLDASIAWSESGLDGARRFLDRVWRLFIEDSGELNGKIVEGAGETLERVYHETVMKVTDHYEGLRFNTGISQLMVFINEAYKATELPKEYMEGFVKLLSPVAPHLAEELWEKLGHSGTIAYEAWPVYDETKLVDDEVEIVVQLNGKVKAKLQVPADATKEQLEQLAQADEKVKEQLEGKTIRKIIAVPGKLVNIVAN |
| Complex: LMS_A_3(2V0C) / Model_6(2V0C/A) = [6.3]
| Download | 752.27 | 19.38 | MSFQHKEIEKKWQTYWLENKTFATLDNNEKQKFYALDMFPYPSGAGLHVGHPEGYTATDILSRMKRMQGYDVLHPMGWDAFGLPAEQYALDTGNDPAVFTKQNIDNFRRQIQALGFSYDWDREINTTDPEYYKWTQWIFLKLYEKGLAYVDEVPVNWCPALGTVLANEEVIDGKSERGGHPVERRPMKQWMLKITAYADRLLEDLEELDWPESIKDMQRNWIGRSEGAHVHFAIDGHDDSFTVFTTRPDTLFGATYTVLAPEHALVENITTAEQKEAVEAYIKEIQSKSDLERTDLAKTKTGVFTGAYAINPVNGEKLPIWIADYVLASYGTGAVMAVPGHDERDFEFAKTFGLPVKEVVKGGNVEEAAYTGDGEHVNSDFLNGLHKQEAIEKVIAWLEETKNGEKKVTYRLRDWLFSRQRYWGEPIPVIHWEDGTSTAVPEEELPLILPKTDEIKPSGTGESPLANIKEWVEVTDPETGKKGRRETNTMPQWAGSCWYFLRYIDPHNPDQLASPEKLEKWLPVDMYIGGAEHAVLHLLYARFWHKFLYDIGVVPTKEPFQKLYNQGMILGENNEKMSKSKGNVVNPDEIVASHGADTLRLYEMFMGPLDASIAWSESGLDGARRFLDRVWRLFIEDSGELNGKIVEGAGETLERVYHETVMKVTDHYEGLRFNTGISQLMVFINEAYKATELPKEYMEGFVKLLSPVAPHLAEELWEKLGHSGTIAYEAWPVYDETKLVDDEVEIVVQLNGKVKAKLQVPADATKEQLEQLAQADEKVKEQLEGKTIRKIIAVPGKLVNIVAN |
Consensus
[pKd Mean = 4.98] | - | 8233
(s=9391) | 19
(s=1) | MSFQHKEIEKKWQTYWLENKTFATLDNNEKQKFYALDMFPYPSGAGLHVGHPEGYTATDILSRMKRMQGYDVLHPMGWDAFGLPAEQYALDTGNDPAVFTKQNIDNFRRQIQALGFSYDWDREINTTDPEYYKWTQWIFLKLYEKGLAYVDEVPVNWCPALGTVLANEEVIDGKSERGGHPVERRPMKQWMLKITAYADRLLEDLEELDWPESIKDMQRNWIGRSEGAHVHFAIDGHDDSFTVFTTRPDTLFGATYTVLAPEHALVENITTAEQKEAVEAYIKEIQSKSDLERTDLAKTKTGVFTGAYAINPVNGEKLPIWIADYVLASYGTGAVMAVPGHDERDFEFAKTFGLPVKEVVKGGNVEEAAYTGDGEHVNSDFLNGLHKQEAIEKVIAWLEETKNGEKKVTYRLRDWLFSRQRYWGEPIPVIHWEDGTSTAVPEEELPLILPKTDEIKPSGTGESPLANIKEWVEVTDPETGKKGRRETNTMPQWAGSCWYFLRYIDPHNPDQLASPEKLEKWLPVDMYIGGAEHAVLHLLYARFWHKFLYDIGVVPTKEPFQKLYNQGMILGENNEKMSKSKGNVVNPDEIVASHGADTLRLYEMFMGPLDASIAWSESGLDGARRFLDRVWRLFIEDSGELNGKIVEGAGETLERVYHETVMKVTDHYEGLRFNTGISQLMVFINEAYKATELPKEYMEGFVKLLSPVAPHLAEELWEKLGHSGTIAYEAWPVYDETKLVDDEVEIVVQLNGKVKAKLQVPADATKEQLEQLAQADEKVKEQLEGKTIRKIIAVPGKLVNIVAN |