Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qml_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ ASP 59.A O no hydrogen 3.066 N/A LYS 2.A NZ GLN 62.A O.A no hydrogen 3.195 N/A LYS 2.A NZ GLN 62.A O.B no hydrogen 3.178 N/A LEU 3.A N THR 63.A OG1 no hydrogen 2.888 N/A PHE 6.A N PHE 19.A O no hydrogen 3.045 N/A VAL 8.A N LEU 17.A O no hydrogen 2.817 N/A ASP 10.A N LYS 15.A O no hydrogen 2.800 N/A HIS 11.A NE2 LYS 181.A O no hydrogen 2.718 N/A VAL 13.A N ASP 10.A OD1 no hydrogen 3.072 N/A LYS 15.A N ASP 10.A O no hydrogen 3.139 N/A LYS 16.A N ASN 69.A OD1 no hydrogen 2.941 N/A LEU 17.A N VAL 8.A O no hydrogen 2.746 N/A SER 18.A N ALA 67.A O no hydrogen 3.056 N/A PHE 19.A N PHE 6.A O no hydrogen 2.845 N/A ARG 20.A N VAL 65.A O no hydrogen 3.010 N/A ARG 20.A NH1 HIS 21.A O no hydrogen 3.080 N/A ARG 20.A NH1 ASP 25.A OD1 no hydrogen 3.485 N/A ARG 20.A NH1 ASP 25.A OD2 no hydrogen 2.881 N/A ARG 20.A NH2 ASP 25.A OD1 no hydrogen 2.803 N/A ARG 20.A NH2 ASP 25.A OD2 no hydrogen 3.536 N/A HIS 21.A NE2 LEU 3.A O no hydrogen 2.702 N/A VAL 22.A N LEU 64.A O no hydrogen 2.903 N/A THR 23.A N ASP 25.A OD2 no hydrogen 2.922 N/A ASP 25.A N THR 23.A O no hydrogen 2.976 N/A HIS 29.A N VAL 26.A O no hydrogen 2.881 N/A HIS 29.A NE2 ILE 44.A O no hydrogen 2.840 N/A SER 30.A N ASP 27.A O no hydrogen 3.058 N/A HIS 32.A NE2 ILE 44.A O no hydrogen 2.967 N/A GLU 33.A N TRP 31.A O no hydrogen 3.018 N/A HIS 35.A NE2 ILE 102.A O no hydrogen 2.739 N/A VAL 36.A N GLU 33.A O no hydrogen 2.960 N/A ILE 37.A N GLU 33.A O no hydrogen 3.041 N/A TYR 39.A N VAL 36.A O no hydrogen 3.024 N/A TRP 40.A N VAL 36.A O no hydrogen 3.057 N/A LYS 41.A N ILE 37.A O no hydrogen 2.868 N/A LYS 41.A NZ PRO 38.A O no hydrogen 2.903 N/A LYS 41.A NZ ASP 161.A O no hydrogen 3.233 N/A TYR 49.A N PRO 45.A O no hydrogen 2.886 N/A LYS 50.A N LEU 46.A O no hydrogen 2.857 N/A LYS 51.A N.A VAL 47.A O no hydrogen 3.390 N/A LYS 51.A N.B VAL 47.A O no hydrogen 3.408 N/A HIS 52.A N ASP 48.A O no hydrogen 2.908 N/A LEU 53.A N TYR 49.A O no hydrogen 2.821 N/A GLN 54.A N LYS 50.A O no hydrogen 2.926 N/A THR 55.A N LYS 51.A O.A no hydrogen 3.170 N/A THR 55.A N LYS 51.A O.B no hydrogen 3.157 N/A THR 55.A OG1 LYS 51.A O.A no hydrogen 2.826 N/A THR 55.A OG1 LYS 51.A O.B no hydrogen 2.935 N/A PHE 56.A N HIS 52.A O no hydrogen 3.012 N/A LEU 57.A N LEU 53.A O no hydrogen 2.861 N/A ASN 58.A N GLN 54.A O no hydrogen 3.149 N/A ASN 58.A N THR 55.A O no hydrogen 3.162 N/A ASP 59.A N PHE 56.A O no hydrogen 3.170 N/A HIS 61.A N ASP 59.A OD1 no hydrogen 2.853 N/A HIS 61.A ND1 ASP 59.A OD1 no hydrogen 2.821 N/A HIS 61.A NE2 ASP 83.A OD1 no hydrogen 3.010 N/A GLN 62.A NE2.A ASP 59.A OD2 no hydrogen 3.118 N/A GLN 62.A NE2.B PHE 56.A O no hydrogen 3.162 N/A THR 63.A N SER 77.A O no hydrogen 2.822 N/A VAL 65.A N ARG 20.A O no hydrogen 2.909 N/A GLY 66.A N SER 73.A O no hydrogen 2.920 N/A ALA 67.A N SER 18.A O no hydrogen 2.743 N/A ILE 68.A N.A VAL 71.A O no hydrogen 3.051 N/A ILE 68.A N.B VAL 71.A O no hydrogen 3.027 N/A ASN 69.A N LYS 16.A O no hydrogen 2.827 N/A VAL 71.A N ILE 68.A O.A no hydrogen 3.034 N/A VAL 71.A N ILE 68.A O.B no hydrogen 2.972 N/A SER 73.A OG GLY 66.A O no hydrogen 3.074 N/A TYR 74.A N LEU 101.A O no hydrogen 2.892 N/A TYR 74.A OH GLU 76.A OE2 no hydrogen 2.501 N/A TRP 75.A NE1 SER 73.A OG no hydrogen 2.795 N/A GLU 76.A N HIS 99.A O no hydrogen 2.923 N/A SER 77.A N THR 63.A O no hydrogen 2.897 N/A TYR 78.A N GLY 97.A O no hydrogen 3.124 N/A TRP 79.A N HIS 61.A O no hydrogen 3.097 N/A VAL 80.A N ASP 95.A O no hydrogen 2.996 N/A LYS 81.A NZ GLU 93.A OE1 no hydrogen 3.297 N/A LYS 81.A NZ GLU 93.A OE2 no hydrogen 2.940 N/A GLU 82.A N TRP 79.A O no hydrogen 3.331 N/A ASP 83.A N VAL 80.A O no hydrogen 2.799 N/A ILE 85.A N ASP 83.A OD2 no hydrogen 3.023 N/A ALA 86.A N ASP 83.A O no hydrogen 3.148 N/A ASN 87.A N ILE 84.A O no hydrogen 3.166 N/A ASN 87.A ND2 ILE 84.A O no hydrogen 2.941 N/A TYR 88.A N ILE 85.A O no hydrogen 3.014 N/A TYR 88.A OH GLU 158.A O no hydrogen 2.791 N/A TYR 89.A OH ASP 95.A OD2 no hydrogen 2.621 N/A PHE 91.A N TYR 89.A O no hydrogen 2.866 N/A GLU 92.A N ASP 95.A OD2 no hydrogen 2.987 N/A ASP 95.A N GLU 92.A O no hydrogen 2.994 N/A GLN 96.A N THR 131.A O no hydrogen 3.182 N/A GLN 96.A NE2 LYS 123.A O no hydrogen 3.058 N/A GLN 96.A NE2 THR 129.A OG1 no hydrogen 2.927 N/A GLY 97.A N TYR 78.A O no hydrogen 2.837 N/A ILE 98.A N VAL 133.A O no hydrogen 3.193 N/A HIS 99.A N GLU 76.A O no hydrogen 2.866 N/A LEU 101.A N TYR 74.A O no hydrogen 2.947 N/A GLN 105.A NE2 GLU 33.A OE1 no hydrogen 3.016 N/A GLU 106.A N.A GLU 106.A OE1.A no hydrogen 3.079 N/A TYR 107.A N PRO 104.A O no hydrogen 2.989 N/A LEU 108.A N GLN 105.A O no hydrogen 2.978 N/A GLN 110.A NE2 GLU 106.A O.A no hydrogen 2.808 N/A GLN 110.A NE2 GLU 106.A O.B no hydrogen 2.508 N/A GLN 110.A NE2 LEU 108.A O no hydrogen 2.943 N/A TYR 114.A N GLY 111.A O no hydrogen 3.413 N/A LEU 116.A N LEU 112.A O no hydrogen 3.511 N/A LEU 117.A N ILE 113.A O no hydrogen 2.856 N/A LEU 118.A N TYR 114.A O no hydrogen 2.905 N/A ALA 119.A N PRO 115.A O no hydrogen 3.010 N/A ILE 120.A N LEU 116.A O no hydrogen 3.105 N/A GLN 121.A NE2 GLU 174.A OE1.A no hydrogen 2.875 N/A GLN 121.A NE2 GLU 174.A OE1.B no hydrogen 2.871 N/A GLN 122.A N.A ALA 119.A O no hydrogen 3.115 N/A GLN 122.A N.B ALA 119.A O no hydrogen 3.088 N/A GLN 122.A NE2.A ALA 119.A O no hydrogen 3.201 N/A LYS 123.A N ILE 120.A O no hydrogen 2.966 N/A LYS 123.A NZ SER 77.A OG no hydrogen 2.770 N/A LYS 123.A NZ GLN 96.A OE1 no hydrogen 2.869 N/A LYS 123.A NZ GLY 97.A O no hydrogen 2.916 N/A GLN 125.A N GLN 122.A O.A no hydrogen 3.464 N/A GLN 125.A N GLN 122.A O.B no hydrogen 2.848 N/A GLN 125.A NE2 GLN 121.A O no hydrogen 2.958 N/A GLU 126.A N LYS 123.A O no hydrogen 3.268 N/A THR 129.A N GLU 126.A O no hydrogen 3.131 N/A THR 129.A OG1 HIS 94.A O no hydrogen 2.685 N/A THR 131.A OG1 GLU 169.A OE1 no hydrogen 2.458 N/A ILE 132.A N CYS 168.A O no hydrogen 2.859 N/A VAL 133.A N GLN 96.A O no hydrogen 2.770 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.726 N/A ARG 138.A N ILE 163.A O no hydrogen 2.824 N/A ARG 138.A NH1 GLU 156.A OE2 no hydrogen 3.036 N/A ARG 139.A N ASP 137.A OD1 no hydrogen 2.884 N/A ARG 139.A NE ASP 137.A OD1 no hydrogen 2.815 N/A ARG 139.A NH2 ASP 137.A OD2 no hydrogen 2.916 N/A ASN 140.A N ASP 137.A O no hydrogen 2.902 N/A LYS 141.A N ARG 139.A O no hydrogen 2.933 N/A HIS 144.A N LYS 141.A O no hydrogen 2.898 N/A VAL 145.A N LYS 142.A O no hydrogen 2.969 N/A LYS 147.A N ILE 143.A O no hydrogen 2.924 N/A LYS 148.A N HIS 144.A O no hydrogen 2.937 N/A CYS 149.A N VAL 145.A O no hydrogen 3.026 N/A CYS 149.A N PHE 146.A O no hydrogen 3.007 N/A CYS 149.A SG VAL 145.A O no hydrogen 3.403 N/A GLY 150.A N LYS 147.A O no hydrogen 3.033 N/A PHE 151.A N PHE 146.A O no hydrogen 3.054 N/A GLN 152.A N LYS 167.A O no hydrogen 2.852 N/A VAL 154.A N LEU 166.A O no hydrogen 2.760 N/A LYS 155.A NZ TYR 88.A O no hydrogen 2.608 N/A VAL 157.A N GLY 164.A O no hydrogen 2.858 N/A LEU 159.A N LYS 162.A O no hydrogen 2.940 N/A LYS 162.A NZ GLU 135.A O no hydrogen 2.795 N/A LYS 162.A NZ GLU 135.A OE2 no hydrogen 2.807 N/A GLY 164.A N VAL 157.A O no hydrogen 2.861 N/A LEU 165.A N PRO 136.A O no hydrogen 2.815 N/A LEU 166.A N LYS 155.A O no hydrogen 2.823 N/A CYS 168.A N ILE 132.A O no hydrogen 2.735 N/A CYS 168.A SG CYS 149.A O no hydrogen 3.822 N/A CYS 168.A SG GLU 169.A O no hydrogen 3.972 N/A GLN 170.A N ASN 130.A O no hydrogen 2.869 N/A GLN 170.A NE2 GLU 174.A OE2.B no hydrogen 3.139 N/A PHE 173.A N GLU 169.A O no hydrogen 3.027 N/A GLU 174.A N.A GLN 170.A O no hydrogen 2.919 N/A GLU 174.A N.B GLN 170.A O no hydrogen 2.912 N/A LYS 175.A N ASN 171.A O.A no hydrogen 3.357 N/A LYS 175.A N ASN 171.A O.B no hydrogen 3.432 N/A ARG 176.A N VAL 172.A O no hydrogen 3.085 N/A ARG 176.A NE LYS 148.A O no hydrogen 2.835 N/A ARG 176.A NH1 ASP 179.A OD2 no hydrogen 2.885 N/A ARG 176.A NH1 PHE 184.A OXT no hydrogen 3.255 N/A ARG 176.A NH2 LYS 148.A O no hydrogen 2.937 N/A ARG 176.A NH2 PHE 184.A OXT no hydrogen 2.985 N/A TRP 177.A N PHE 173.A O no hydrogen 2.701 N/A SER 178.A N.A GLU 174.A O.A no hydrogen 2.880 N/A SER 178.A N.A GLU 174.A O.B no hydrogen 2.949 N/A SER 178.A N.B GLU 174.A O.A no hydrogen 2.842 N/A SER 178.A N.B GLU 174.A O.B no hydrogen 2.912 N/A SER 178.A OG.A GLU 174.A O.A no hydrogen 2.838 N/A SER 178.A OG.A GLU 174.A O.B no hydrogen 2.812 N/A ASP 179.A N LYS 175.A O no hydrogen 2.841 N/A TRP 180.A N ARG 176.A O no hydrogen 2.942 N/A TRP 180.A NE1 ASP 10.A OD2 no hydrogen 2.876 N/A LYS 181.A N TRP 177.A O no hydrogen 3.058 N/A LYS 181.A NZ ASP 10.A OD2 no hydrogen 2.913 N/A LYS 183.A N ASP 179.A O no hydrogen 2.767 N/A