Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f67_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N.A ARG 22.A O no hydrogen 2.843 N/A ILE 4.A N.B ARG 22.A O no hydrogen 2.825 N/A GLY 6.A N HIS 20.A O no hydrogen 2.864 N/A THR 8.A N ALA 18.A O no hydrogen 2.956 N/A THR 8.A OG1 SER 9.A O.A no hydrogen 3.309 N/A SER 12.A N GLU 15.A O.A no hydrogen 2.714 N/A SER 12.A N GLU 15.A O.B no hydrogen 2.865 N/A SER 12.A OG ASP 97.A OD1 no hydrogen 2.646 N/A GLU 15.A N.A SER 12.A O no hydrogen 2.972 N/A GLU 15.A N.B SER 12.A O no hydrogen 3.006 N/A ALA 18.A N THR 8.A O no hydrogen 2.957 N/A TYR 19.A N ALA 62.A O no hydrogen 2.988 N/A HIS 20.A N GLY 6.A O no hydrogen 2.879 N/A ALA 21.A N ALA 60.A O no hydrogen 2.950 N/A ARG 22.A N ILE 4.A O.A no hydrogen 2.972 N/A ARG 22.A N ILE 4.A O.B no hydrogen 2.883 N/A ARG 22.A NH1 HIS 108.A O no hydrogen 2.750 N/A ARG 22.A NH2 HIS 20.A ND1 no hydrogen 3.362 N/A ARG 22.A NH2 HIS 108.A O no hydrogen 3.078 N/A LYS 24.A N.A ALA 2.A O no hydrogen 2.927 N/A LYS 24.A N.B ALA 2.A O no hydrogen 2.902 N/A LEU 30.A N GLY 109.A O no hydrogen 2.882 N/A ILE 32.A N ARG 114.A O no hydrogen 2.943 N/A VAL 33.A N LEU 59.A O no hydrogen 2.829 N/A ILE 34.A N LEU 116.A O no hydrogen 2.949 N/A VAL 35.A N ILE 61.A O no hydrogen 2.798 N/A VAL 36.A N THR 118.A O no hydrogen 2.796 N/A GLN 37.A NE2 GLU 38.A O no hydrogen 2.955 N/A GLY 41.A N GLU 38.A O no hydrogen 3.437 N/A VAL 42.A N GLU 64.A OE1.A no hydrogen 2.922 N/A VAL 42.A N GLU 64.A OE1.B no hydrogen 2.900 N/A HIS 43.A N GLY 41.A O no hydrogen 2.770 N/A HIS 45.A N HIS 43.A ND1 no hydrogen 2.950 N/A ARG 47.A N.A HIS 43.A O no hydrogen 3.125 N/A ARG 47.A N.B HIS 43.A O no hydrogen 3.126 N/A ARG 47.A NE.B VAL 42.A O no hydrogen 3.056 N/A ARG 47.A NH1.A GLU 7.A OE2.A no hydrogen 3.062 N/A ARG 47.A NH1.A GLU 7.A OE2.B no hydrogen 3.166 N/A ARG 47.A NH1.B VAL 42.A O no hydrogen 2.806 N/A ARG 47.A NH2.A GLU 7.A OE2.A no hydrogen 2.878 N/A ARG 47.A NH2.A GLU 7.A OE2.B no hydrogen 3.068 N/A ARG 47.A NH2.B GLU 7.A OE1.B no hydrogen 2.611 N/A ASP 48.A N GLU 44.A O no hydrogen 2.890 N/A LEU 49.A N HIS 45.A O no hydrogen 2.983 N/A CYS 50.A N ILE 46.A O no hydrogen 2.978 N/A CYS 50.A SG ILE 46.A O no hydrogen 3.516 N/A ARG 51.A N ARG 47.A O.A no hydrogen 3.028 N/A ARG 51.A N ARG 47.A O.B no hydrogen 2.960 N/A ARG 51.A NH1 TYR 19.A OH no hydrogen 2.988 N/A ARG 51.A NH2 GLU 44.A OE2 no hydrogen 2.937 N/A ARG 52.A N ASP 48.A O no hydrogen 2.868 N/A LEU 53.A N LEU 49.A O no hydrogen 2.954 N/A ALA 54.A N CYS 50.A O no hydrogen 2.927 N/A GLN 55.A N ARG 51.A O no hydrogen 3.030 N/A GLU 56.A N LEU 53.A O no hydrogen 2.966 N/A GLY 57.A N ALA 54.A O no hydrogen 2.986 N/A TYR 58.A N LEU 53.A O no hydrogen 3.278 N/A LEU 59.A N PRO 31.A O no hydrogen 2.918 N/A ALA 60.A N ALA 21.A O no hydrogen 2.881 N/A ILE 61.A N VAL 33.A O no hydrogen 2.942 N/A ALA 62.A N TYR 19.A O no hydrogen 2.857 N/A GLU 64.A N.A PRO 17.A O no hydrogen 2.873 N/A GLU 64.A N.B PRO 17.A O no hydrogen 2.901 N/A LEU 65.A N GLN 37.A OE1 no hydrogen 3.151 N/A PHE 67.A N GLU 64.A O.A no hydrogen 3.233 N/A PHE 67.A N GLU 64.A O.B no hydrogen 3.250 N/A ARG 68.A NE GLU 15.A OE1.A no hydrogen 2.891 N/A ARG 68.A NH1 ASP 97.A OD2 no hydrogen 2.840 N/A ARG 68.A NH2 SER 12.A O no hydrogen 3.373 N/A ARG 68.A NH2 ASP 97.A OD1 no hydrogen 2.795 N/A GLN 69.A N TYR 66.A O no hydrogen 2.890 N/A GLN 69.A NE2 GLN 93.A OE1 no hydrogen 2.972 N/A GLY 70.A N TYR 66.A O no hydrogen 3.015 N/A ASN 73.A N ASP 71.A OD1 no hydrogen 2.931 N/A GLU 74.A N ASP 71.A O no hydrogen 2.868 N/A TYR 75.A N PRO 72.A O no hydrogen 3.111 N/A THR 80.A N ASP 77.A OD2 no hydrogen 2.889 N/A THR 80.A OG1 ASP 77.A OD1 no hydrogen 2.972 N/A THR 80.A OG1 ASP 77.A OD2 no hydrogen 2.772 N/A LEU 81.A N ASP 77.A O no hydrogen 3.089 N/A PHE 82.A N.A ILE 78.A O no hydrogen 2.853 N/A PHE 82.A N.B ILE 78.A O no hydrogen 2.857 N/A LYS 83.A N PRO 79.A O no hydrogen 2.946 N/A GLU 84.A N THR 80.A O no hydrogen 2.851 N/A LEU 85.A N LEU 81.A O no hydrogen 3.047 N/A VAL 86.A N LEU 81.A O no hydrogen 3.033 N/A SER 87.A N.A PHE 82.A O.A no hydrogen 2.908 N/A SER 87.A N.A PHE 82.A O.B no hydrogen 2.923 N/A SER 87.A N.B PHE 82.A O.A no hydrogen 2.911 N/A SER 87.A N.B PHE 82.A O.B no hydrogen 2.924 N/A SER 87.A OG.A PHE 82.A O.A no hydrogen 2.974 N/A SER 87.A OG.A PHE 82.A O.B no hydrogen 2.842 N/A SER 87.A OG.B PHE 82.A O.A no hydrogen 3.123 N/A SER 87.A OG.B PHE 82.A O.B no hydrogen 3.087 N/A SER 87.A OG.B LYS 83.A O no hydrogen 2.763 N/A LYS 88.A N LEU 85.A O no hydrogen 2.877 N/A VAL 89.A N VAL 86.A O no hydrogen 3.145 N/A ASP 91.A N ASN 154.A O.A no hydrogen 2.870 N/A ASP 91.A N ASN 154.A O.B no hydrogen 2.748 N/A GLN 93.A NE2 GLN 69.A OE1 no hydrogen 3.031 N/A VAL 94.A N PRO 90.A O no hydrogen 3.163 N/A LEU 95.A N ASP 91.A O no hydrogen 2.902 N/A ALA 96.A N ALA 92.A O no hydrogen 3.113 N/A ASP 97.A N GLN 93.A O no hydrogen 2.883 N/A LEU 98.A N VAL 94.A O no hydrogen 2.892 N/A ASP 99.A N LEU 95.A O no hydrogen 3.024 N/A HIS 100.A N ALA 96.A O no hydrogen 3.045 N/A HIS 100.A ND1 ALA 96.A O no hydrogen 2.810 N/A VAL 101.A N ASP 97.A O no hydrogen 2.989 N/A ALA 102.A N LEU 98.A O no hydrogen 3.016 N/A SER 103.A N.A ASP 99.A O no hydrogen 2.953 N/A SER 103.A N.B ASP 99.A O no hydrogen 2.942 N/A SER 103.A OG.A ASP 99.A O no hydrogen 3.257 N/A TRP 104.A N HIS 100.A O no hydrogen 2.947 N/A ALA 105.A N VAL 101.A O no hydrogen 2.815 N/A ALA 106.A N ALA 102.A O no hydrogen 3.173 N/A ARG 107.A N TRP 104.A O no hydrogen 3.035 N/A HIS 108.A N ALA 105.A O no hydrogen 3.048 N/A GLY 110.A N ALA 105.A O no hydrogen 2.838 N/A ASP 111.A N LEU 30.A O no hydrogen 2.778 N/A HIS 113.A N ASP 111.A OD1 no hydrogen 2.837 N/A ARG 114.A N ASP 111.A O no hydrogen 2.931 N/A ARG 114.A NE TYR 237.A OXT no hydrogen 2.805 N/A ARG 114.A NH2 TYR 237.A O no hydrogen 2.892 N/A LEU 116.A N ILE 32.A O no hydrogen 2.836 N/A ILE 117.A N ALA 139.A O no hydrogen 3.227 N/A THR 118.A N ILE 34.A O no hydrogen 2.941 N/A THR 118.A OG1 VAL 141.A O no hydrogen 2.811 N/A GLY 119.A N VAL 141.A O no hydrogen 3.218 N/A PHE 120.A N VAL 36.A O no hydrogen 3.177 N/A CYS 121.A N.A TRP 143.A O no hydrogen 2.908 N/A CYS 121.A N.B TRP 143.A O no hydrogen 2.945 N/A CYS 121.A SG.A HIS 209.A NE2 no hydrogen 2.707 N/A CYS 121.A SG.B GLU 38.A OE2 no hydrogen 2.702 N/A CYS 121.A SG.B HIS 209.A NE2 no hydrogen 3.353 N/A GLY 123.A N PHE 120.A O no hydrogen 2.832 N/A GLY 124.A N CYS 121.A O.A no hydrogen 2.870 N/A GLY 124.A N CYS 121.A O.B no hydrogen 2.856 N/A ARG 125.A N CYS 121.A O.A no hydrogen 3.251 N/A ARG 125.A N CYS 121.A O.B no hydrogen 3.209 N/A ARG 125.A NE HIS 158.A ND1 no hydrogen 2.956 N/A ARG 125.A NH1 ASP 91.A OD1 no hydrogen 3.136 N/A ARG 125.A NH2 ASP 91.A OD2 no hydrogen 2.762 N/A ARG 125.A NH2 LYS 157.A O no hydrogen 2.852 N/A ARG 125.A NH2 HIS 158.A ND1 no hydrogen 3.510 N/A ILE 126.A N TRP 122.A O no hydrogen 3.201 N/A THR 127.A N GLY 123.A O no hydrogen 2.879 N/A THR 127.A OG1 GLY 123.A O no hydrogen 2.801 N/A TRP 128.A N GLY 124.A O no hydrogen 3.345 N/A TRP 128.A NE1 TYR 174.A OH no hydrogen 2.938 N/A LEU 129.A N ARG 125.A O no hydrogen 3.149 N/A TYR 130.A N ILE 126.A O no hydrogen 2.766 N/A TYR 130.A OH ASP 99.A OD1 no hydrogen 2.663 N/A ALA 131.A N THR 127.A O no hydrogen 3.103 N/A ALA 132.A N LEU 129.A O no hydrogen 3.068 N/A HIS 133.A N TYR 130.A O no hydrogen 2.877 N/A HIS 133.A NE2 ASP 99.A OD2 no hydrogen 2.802 N/A ASN 134.A N TYR 130.A O no hydrogen 3.043 N/A ASN 134.A ND2 TYR 130.A OH no hydrogen 2.875 N/A GLN 136.A N.A ASN 134.A OD1 no hydrogen 2.835 N/A GLN 136.A N.B ASN 134.A OD1 no hydrogen 2.866 N/A GLN 136.A NE2.B ASN 134.A OD1 no hydrogen 3.440 N/A LEU 137.A N ASN 134.A O no hydrogen 3.096 N/A LYS 138.A N LEU 115.A O no hydrogen 2.798 N/A LYS 138.A NZ HIS 113.A O no hydrogen 3.288 N/A LYS 138.A NZ GLN 136.A O.A no hydrogen 3.324 N/A ALA 140.A N PRO 169.A O no hydrogen 2.971 N/A VAL 141.A N ILE 117.A O no hydrogen 2.970 N/A ALA 142.A N LEU 171.A O no hydrogen 2.812 N/A TRP 143.A N GLY 119.A O no hydrogen 2.891 N/A TRP 143.A NE1 THR 118.A OG1 no hydrogen 2.988 N/A TYR 144.A N LEU 173.A O no hydrogen 2.882 N/A GLY 145.A N TYR 174.A OH no hydrogen 3.091 N/A LYS 151.A NZ PRO 156.A O no hydrogen 3.222 N/A LYS 151.A NZ ASP 161.A OD2 no hydrogen 2.840 N/A SER 152.A N SER 155.A O no hydrogen 3.067 N/A ASN 154.A ND2.A SER 87.A O.A no hydrogen 2.944 N/A ASN 154.A ND2.A SER 87.A O.B no hydrogen 2.825 N/A ASN 154.A ND2.B SER 87.A O.A no hydrogen 3.468 N/A ASN 154.A ND2.B SER 87.A O.B no hydrogen 3.135 N/A SER 155.A N SER 152.A OG no hydrogen 2.964 N/A SER 155.A OG ASP 91.A OD1 no hydrogen 2.996 N/A SER 155.A OG ASP 91.A OD2 no hydrogen 3.477 N/A HIS 158.A N ASP 161.A OD2 no hydrogen 2.854 N/A HIS 158.A NE2 GLU 150.A O no hydrogen 2.803 N/A VAL 160.A N.A LEU 147.A O no hydrogen 3.113 N/A VAL 160.A N.B LEU 147.A O no hydrogen 3.100 N/A ASP 161.A N HIS 158.A O no hydrogen 2.796 N/A ILE 162.A N PRO 159.A O no hydrogen 3.130 N/A ASP 165.A N ILE 162.A O no hydrogen 2.692 N/A LEU 166.A N ALA 163.A O no hydrogen 3.295 N/A ASN 167.A N.A ALA 131.A O no hydrogen 2.887 N/A ASN 167.A N.B ALA 131.A O no hydrogen 2.930 N/A VAL 170.A N THR 198.A O no hydrogen 3.237 N/A LEU 171.A N ALA 140.A O no hydrogen 2.922 N/A GLY 172.A N GLU 200.A O.A no hydrogen 2.808 N/A GLY 172.A N GLU 200.A O.B no hydrogen 2.675 N/A LEU 173.A N ALA 142.A O no hydrogen 2.822 N/A TYR 174.A N VAL 202.A O no hydrogen 2.834 N/A TYR 174.A OH GLY 145.A O no hydrogen 2.596 N/A ALA 176.A N TYR 204.A O no hydrogen 2.887 N/A LYS 177.A N ALA 207.A O no hydrogen 2.872 N/A ASP 178.A N GLY 175.A O no hydrogen 3.134 N/A SER 180.A N ASP 178.A OD1 no hydrogen 2.935 N/A SER 180.A OG ASP 178.A OD1 no hydrogen 2.674 N/A ILE 181.A N ASP 178.A O no hydrogen 3.183 N/A GLN 183.A NE2 ILE 181.A O no hydrogen 3.592 N/A THR 185.A N PRO 182.A O no hydrogen 2.949 N/A THR 185.A OG1 PRO 182.A O no hydrogen 2.823 N/A VAL 186.A N PRO 182.A O no hydrogen 3.382 N/A GLU 187.A N GLN 183.A O no hydrogen 3.003 N/A THR 188.A N ASP 184.A O.A no hydrogen 2.917 N/A THR 188.A N ASP 184.A O.B no hydrogen 2.965 N/A THR 188.A OG1 ASP 184.A O.A no hydrogen 3.213 N/A THR 188.A OG1 ASP 184.A O.B no hydrogen 3.118 N/A ARG 189.A NH2 ILE 201.A O no hydrogen 2.779 N/A GLN 190.A N GLU 187.A O no hydrogen 2.889 N/A ALA 191.A N THR 188.A O no hydrogen 3.023 N/A ARG 193.A N ARG 189.A O no hydrogen 2.944 N/A ARG 193.A NH2 GLU 187.A OE2 no hydrogen 3.329 N/A ALA 194.A N GLN 190.A O no hydrogen 2.968 N/A ALA 195.A N ALA 191.A O no hydrogen 3.026 N/A ASN 196.A N.A ARG 193.A O no hydrogen 3.031 N/A ASN 196.A N.B ARG 193.A O no hydrogen 3.083 N/A ALA 197.A N LEU 192.A O no hydrogen 3.039 N/A GLU 200.A N.A VAL 170.A O no hydrogen 3.194 N/A GLU 200.A N.B VAL 170.A O no hydrogen 3.131 N/A VAL 202.A N GLY 172.A O no hydrogen 2.850 N/A TYR 204.A N TYR 174.A O no hydrogen 2.771 N/A TYR 204.A OH ASP 226.A OD2 no hydrogen 2.572 N/A ALA 207.A N TYR 204.A O no hydrogen 3.237 N/A HIS 209.A N ASP 208.A OD1 no hydrogen 2.623 N/A HIS 209.A ND1 ASP 178.A OD2 no hydrogen 2.701 N/A ASN 212.A N TYR 144.A OH no hydrogen 3.107 N/A ALA 213.A N ALA 210.A O no hydrogen 3.099 N/A ARG 216.A N ALA 213.A O no hydrogen 2.929 N/A ARG 216.A NH1 GLU 38.A OE2 no hydrogen 3.102 N/A ARG 216.A NH2 GLU 38.A OE1 no hydrogen 2.762 N/A ARG 216.A NH2 TYR 215.A OH no hydrogen 2.873 N/A SER 218.A OG ALA 210.A O no hydrogen 2.825 N/A TYR 219.A N ARG 216.A O no hydrogen 3.188 N/A HIS 220.A N PHE 211.A O no hydrogen 2.938 N/A HIS 220.A ND1 SER 223.A OG no hydrogen 2.755 N/A SER 223.A N HIS 220.A ND1 no hydrogen 3.403 N/A SER 223.A OG HIS 220.A ND1 no hydrogen 2.755 N/A ALA 224.A N HIS 220.A O no hydrogen 2.828 N/A LYS 225.A N GLU 221.A O no hydrogen 2.915 N/A LYS 225.A NZ GLU 221.A OE2 no hydrogen 3.068 N/A ASP 226.A N GLU 222.A O no hydrogen 3.044 N/A GLY 227.A N SER 223.A O no hydrogen 2.819 N/A TRP 228.A N ALA 224.A O no hydrogen 2.913 N/A GLN 229.A N LYS 225.A O no hydrogen 3.108 N/A ARG 230.A N ASP 226.A O no hydrogen 2.878 N/A ARG 230.A NE ASP 226.A OD2 no hydrogen 2.857 N/A ALA 232.A N GLN 229.A O no hydrogen 2.879 N/A TRP 233.A N ARG 230.A O no hydrogen 2.962 N/A TRP 233.A NE1 PRO 169.A O no hydrogen 3.053 N/A ALA 235.A N ALA 232.A O no hydrogen 3.326 N/A TYR 237.A N PHE 234.A O no hydrogen 3.056 N/A