Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
Complex: THM_A_5(2Z1A) / Model_1(2Z1A/A) = [5.0]
| Download | 475.61 | -5.75 | VKVNKFFKKTTHVLLVAGLTIGLTAPFTGTTAQAAADTVPIQILGINDFHGALETASKDASGSPIGGADYLATNLDNATNSFLQANPGATTDNAIRVQAGDMVGASPAVSGLLQDEPTMKVLQKMNFEVGTLGNHEFDEGLPEYKRILDGVSTNKFGPIVEAYPRVKSDMKIVAANVVNKGTNTVAEGFLPYYVKEIDGVKVGFIGIVTTEIPNLVLANHIKDYDFLDEAETIVKYSAELRGQGVNAIVVLSHVPALSTGNPNTGTKQDVAGEAANMMTKANELDPNNSVDLVLAGHNHQYTNGLVGKTRIVQSYNNGKAFSDVTGELDKTTGDFVSPPDAKITYNTRSVTPNADITAVTEDAKSRIEGVINETIGLANKDVISRDTNPDNKAIDDKESELGNMITDAQRYMANKAGADVDFAMTNNGGIRSDLTTRLANGQNEITWGAAQAVQPFGNILQVVEMTGADILEALNQQYLSNQTYFLQISGLKYTFTDTDDLDHAYKVASVTTEDGTPLKTDQKYKVVINDFLFGGGDGFSAFKKANLVTAIDPDTETFINYIKDQKAAGKVITAQKEGRKVYKSQAEIDKETKDAAIKAIKEATKINKLAEKDKTLTGTTLPGATVSVQKATANARMALAAGPNATADANGKFSVDVTSLNLKKGDQITTTITDPNGYSTTFQATVQAAATTPPDNGNGGTDNGNGNGNNGGTDGNGGTNNGNGSGTNGGTTTTEDPTTTTSNTSTTGTSSNTSLPTTGDTAGLATVFGVILTTTALYVLRKRS |
Complex: CTN_A_4(3IVE) / Model_44(3IVE/A) = [5.6]
| Download | 415.48 | 6.68 | VKVNKFFKKTTHVLLVAGLTIGLTAPFTGTTAQAAADTVPIQILGINDFHGALETASKDASGSPIGGADYLATNLDNATNSFLQANPGATTDNAIRVQAGDMVGASPAVSGLLQDEPTMKVLQKMNFEVGTLGNHEFDEGLPEYKRILDGVSTNKFGPIVEAYPRVKSDMKIVAANVVNKGTNTVAEGFLPYYVKEIDGVKVGFIGIVTTEIPNLVLANHIKDYDFLDEAETIVKYSAELRGQGVNAIVVLSHVPALSTGNPNTGTKQDVAGEAANMMTKANELDPNNSVDLVLAGHNHQYTNGLVGKTRIVQSYNNGKAFSDVTGELDKTTGDFVSPPDAKITYNTRSVTPNADITAVTEDAKSRIEGVINETIGLANKDVISRDTNPDNKAIDDKESELGNMITDAQRYMANKAGADVDFAMTNNGGIRSDLTTRLANGQNEITWGAAQAVQPFGNILQVVEMTGADILEALNQQYLSNQTYFLQISGLKYTFTDTDDLDHAYKVASVTTEDGTPLKTDQKYKVVINDFLFGGGDGFSAFKKANLVTAIDPDTETFINYIKDQKAAGKVITAQKEGRKVYKSQAEIDKETKDAAIKAIKEATKINKLAEKDKTLTGTTLPGATVSVQKATANARMALAAGPNATADANGKFSVDVTSLNLKKGDQITTTITDPNGYSTTFQATVQAAATTPPDNGNGGTDNGNGNGNNGGTDGNGGTNNGNGSGTNGGTTTTEDPTTTTSNTSTTGTSSNTSLPTTGDTAGLATVFGVILTTTALYVLRKRS |
Complex: A12_A_4(4H2I) / Model_5(4H2I/A) = [5.6]
| Download | 1373.86 | 4.53 | VKVNKFFKKTTHVLLVAGLTIGLTAPFTGTTAQAAADTVPIQILGINDFHGALETASKDASGSPIGGADYLATNLDNATNSFLQANPGATTDNAIRVQAGDMVGASPAVSGLLQDEPTMKVLQKMNFEVGTLGNHEFDEGLPEYKRILDGVSTNKFGPIVEAYPRVKSDMKIVAANVVNKGTNTVAEGFLPYYVKEIDGVKVGFIGIVTTEIPNLVLANHIKDYDFLDEAETIVKYSAELRGQGVNAIVVLSHVPALSTGNPNTGTKQDVAGEAANMMTKANELDPNNSVDLVLAGHNHQYTNGLVGKTRIVQSYNNGKAFSDVTGELDKTTGDFVSPPDAKITYNTRSVTPNADITAVTEDAKSRIEGVINETIGLANKDVISRDTNPDNKAIDDKESELGNMITDAQRYMANKAGADVDFAMTNNGGIRSDLTTRLANGQNEITWGAAQAVQPFGNILQVVEMTGADILEALNQQYLSNQTYFLQISGLKYTFTDTDDLDHAYKVASVTTEDGTPLKTDQKYKVVINDFLFGGGDGFSAFKKANLVTAIDPDTETFINYIKDQKAAGKVITAQKEGRKVYKSQAEIDKETKDAAIKAIKEATKINKLAEKDKTLTGTTLPGATVSVQKATANARMALAAGPNATADANGKFSVDVTSLNLKKGDQITTTITDPNGYSTTFQATVQAAATTPPDNGNGGTDNGNGNGNNGGTDGNGGTNNGNGSGTNGGTTTTEDPTTTTSNTSTTGTSSNTSLPTTGDTAGLATVFGVILTTTALYVLRKRS |
Complex: URI_A_5(3IVD) / Model_8(3IVD/A) = [6.7]
| Download | 451.58 | 3.13 | VKVNKFFKKTTHVLLVAGLTIGLTAPFTGTTAQAAADTVPIQILGINDFHGALETASKDASGSPIGGADYLATNLDNATNSFLQANPGATTDNAIRVQAGDMVGASPAVSGLLQDEPTMKVLQKMNFEVGTLGNHEFDEGLPEYKRILDGVSTNKFGPIVEAYPRVKSDMKIVAANVVNKGTNTVAEGFLPYYVKEIDGVKVGFIGIVTTEIPNLVLANHIKDYDFLDEAETIVKYSAELRGQGVNAIVVLSHVPALSTGNPNTGTKQDVAGEAANMMTKANELDPNNSVDLVLAGHNHQYTNGLVGKTRIVQSYNNGKAFSDVTGELDKTTGDFVSPPDAKITYNTRSVTPNADITAVTEDAKSRIEGVINETIGLANKDVISRDTNPDNKAIDDKESELGNMITDAQRYMANKAGADVDFAMTNNGGIRSDLTTRLANGQNEITWGAAQAVQPFGNILQVVEMTGADILEALNQQYLSNQTYFLQISGLKYTFTDTDDLDHAYKVASVTTEDGTPLKTDQKYKVVINDFLFGGGDGFSAFKKANLVTAIDPDTETFINYIKDQKAAGKVITAQKEGRKVYKSQAEIDKETKDAAIKAIKEATKINKLAEKDKTLTGTTLPGATVSVQKATANARMALAAGPNATADANGKFSVDVTSLNLKKGDQITTTITDPNGYSTTFQATVQAAATTPPDNGNGGTDNGNGNGNNGGTDGNGGTNNGNGSGTNGGTTTTEDPTTTTSNTSTTGTSSNTSLPTTGDTAGLATVFGVILTTTALYVLRKRS |
Consensus [pKd Mean = 5.72] | - | 679 (s=401) | 2 (s=4) | VKVNKFFKKTTHVLLVAGLTIGLTAPFTGTTAQAAADTVPIQILGINDFHGALETASKDASGSPIGGADYLATNLDNATNSFLQANPGATTDNAIRVQAGDMVGASPAVSGLLQDEPTMKVLQKMNFEVGTLGNHEFDEGLPEYKRILDGVSTNKFGPIVEAYPRVKSDMKIVAANVVNKGTNTVAEGFLPYYVKEIDGVKVGFIGIVTTEIPNLVLANHIKDYDFLDEAETIVKYSAELRGQGVNAIVVLSHVPALSTGNPNTGTKQDVAGEAANMMTKANELDPNNSVDLVLAGHNHQYTNGLVGKTRIVQSYNNGKAFSDVTGELDKTTGDFVSPPDAKITYNTRSVTPNADITAVTEDAKSRIEGVINETIGLANKDVISRDTNPDNKAIDDKESELGNMITDAQRYMANKAGADVDFAMTNNGGIRSDLTTRLANGQNEITWGAAQAVQPFGNILQVVEMTGADILEALNQQYLSNQTYFLQISGLKYTFTDTDDLDHAYKVASVTTEDGTPLKTDQKYKVVINDFLFGGGDGFSAFKKANLVTAIDPDTETFINYIKDQKAAGKVITAQKEGRKVYKSQAEIDKETKDAAIKAIKEATKINKLAEKDKTLTGTTLPGATVSVQKATANARMALAAGPNATADANGKFSVDVTSLNLKKGDQITTTITDPNGYSTTFQATVQAAATTPPDNGNGGTDNGNGNGNNGGTDGNGGTNNGNGSGTNGGTTTTEDPTTTTSNTSTTGTSSNTSLPTTGDTAGLATVFGVILTTTALYVLRKRS |