Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f9r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N GLY 37.A O no hydrogen 2.772 N/A LYS 3.A NZ GLY 1.A O no hydrogen 2.945 N/A LYS 3.A NZ ALA 36.A O no hydrogen 2.832 N/A LEU 6.A N GLU 201.A O no hydrogen 2.990 N/A LEU 7.A N CYS 39.A O no hydrogen 2.786 N/A LEU 8.A N HIS 203.A O no hydrogen 2.809 N/A PHE 9.A N GLY 41.A O no hydrogen 2.887 N/A ASP 10.A N PHE 205.A O no hydrogen 3.046 N/A GLY 13.A N THR 16.A OG1 no hydrogen 3.180 N/A THR 14.A N VAL 11.A O no hydrogen 3.097 N/A LEU 15.A N VAL 11.A O no hydrogen 2.734 N/A THR 16.A OG1 ASP 12.A OD1 no hydrogen 3.155 N/A THR 16.A OG1 PRO 17.A O no hydrogen 2.785 N/A ARG 19.A N ASP 12.A OD1 no hydrogen 2.562 N/A ARG 19.A NE ASP 141.A OD1 no hydrogen 2.925 N/A ARG 19.A NH1 PRO 18.A O no hydrogen 3.498 N/A LEU 20.A N PRO 17.A O no hydrogen 3.137 N/A CYS 21.A SG GLU 53.A O no hydrogen 3.382 N/A CYS 21.A SG GLN 54.A O no hydrogen 4.016 N/A GLN 22.A N GLN 54.A O no hydrogen 2.789 N/A GLN 22.A NE2 LEU 55.A O no hydrogen 2.805 N/A GLN 22.A NE2 GLN 62.A OE1 no hydrogen 2.781 N/A THR 23.A OG1 GLU 25.A OE2 no hydrogen 2.687 N/A GLU 25.A N GLU 25.A OE1 no hydrogen 2.712 N/A MET 26.A N THR 23.A OG1 no hydrogen 3.370 N/A ARG 27.A N THR 23.A O no hydrogen 3.142 N/A ALA 28.A N ASP 24.A O no hydrogen 3.030 N/A LEU 29.A N GLU 25.A O no hydrogen 3.100 N/A ILE 30.A N MET 26.A O no hydrogen 2.998 N/A LYS 31.A N ARG 27.A O no hydrogen 3.072 N/A ARG 32.A N ALA 28.A O no hydrogen 2.875 N/A ARG 32.A NH2 GLU 240.A OE2 no hydrogen 2.944 N/A ALA 33.A N LEU 29.A O no hydrogen 2.883 N/A ARG 34.A N ILE 30.A O no hydrogen 2.963 N/A ARG 34.A NE ASP 64.A OD2 no hydrogen 3.284 N/A ARG 34.A NH2 ASP 64.A OD1 no hydrogen 3.157 N/A GLY 35.A N LYS 31.A O no hydrogen 2.711 N/A ALA 36.A N ARG 32.A O no hydrogen 2.883 N/A GLY 37.A N ARG 34.A O no hydrogen 3.046 N/A PHE 38.A N ALA 33.A O no hydrogen 3.052 N/A CYS 39.A N VAL 5.A O no hydrogen 2.953 N/A VAL 40.A N ASP 64.A OD2 no hydrogen 2.940 N/A GLY 41.A N LEU 7.A O no hydrogen 2.866 N/A THR 42.A N TYR 65.A O no hydrogen 2.896 N/A THR 42.A OG1 GLN 51.A OE1 no hydrogen 2.776 N/A VAL 43.A N PHE 9.A O no hydrogen 2.717 N/A GLY 44.A N PHE 67.A O no hydrogen 3.101 N/A SER 46.A OG.B ASP 47.A O no hydrogen 3.340 N/A LYS 50.A N ASP 47.A O no hydrogen 3.175 N/A LYS 50.A N ASP 47.A OD1 no hydrogen 3.014 N/A GLN 51.A N ASP 47.A O no hydrogen 3.423 N/A GLN 51.A NE2 PHE 67.A O no hydrogen 3.192 N/A VAL 52.A N PHE 48.A O no hydrogen 3.002 N/A GLU 53.A N ALA 49.A O no hydrogen 2.921 N/A GLN 54.A N LYS 50.A O no hydrogen 2.989 N/A GLN 54.A NE2.A ASP 12.A OD1 no hydrogen 2.856 N/A GLN 54.A NE2.B LYS 50.A O no hydrogen 3.012 N/A LEU 55.A N GLN 51.A O no hydrogen 2.745 N/A GLY 56.A N VAL 52.A O no hydrogen 2.830 N/A VAL 59.A N GLY 56.A O no hydrogen 3.097 N/A THR 61.A N ASP 58.A O no hydrogen 2.944 N/A GLN 62.A N ASP 58.A O no hydrogen 3.135 N/A GLN 62.A N VAL 59.A O no hydrogen 3.193 N/A GLN 62.A NE2 LEU 55.A O no hydrogen 2.865 N/A GLN 62.A NE2 ASP 58.A OD1 no hydrogen 2.722 N/A PHE 63.A N VAL 59.A O no hydrogen 3.195 N/A ASP 64.A N VAL 40.A O no hydrogen 2.801 N/A TYR 65.A N VAL 40.A O no hydrogen 3.057 N/A VAL 66.A N TYR 75.A O no hydrogen 2.970 N/A PHE 67.A N THR 42.A O no hydrogen 2.936 N/A ALA 68.A N LEU 73.A O no hydrogen 2.965 N/A GLU 69.A N SER 46.A O no hydrogen 2.966 N/A ASN 70.A N GLY 44.A O no hydrogen 2.776 N/A ASN 70.A ND2 TRP 186.A O no hydrogen 3.012 N/A GLY 71.A N ALA 68.A O no hydrogen 2.924 N/A LEU 72.A N GLU 69.A O no hydrogen 2.900 N/A LEU 73.A N ALA 68.A O no hydrogen 3.193 N/A ALA 74.A N HIS 82.A O no hydrogen 2.943 N/A TYR 75.A N VAL 66.A O no hydrogen 2.850 N/A ARG 76.A N LEU 79.A O no hydrogen 2.832 N/A ASN 77.A N ASP 64.A O no hydrogen 2.623 N/A ASN 77.A ND2 ASP 64.A OD1 no hydrogen 3.081 N/A LEU 79.A N ARG 76.A O no hydrogen 2.925 N/A ILE 81.A N ALA 74.A O no hydrogen 2.795 N/A HIS 82.A N ALA 74.A O no hydrogen 3.385 N/A HIS 82.A NE2 TYR 190.A OH no hydrogen 2.562 N/A ARG 83.A NE GLU 80.A OE2 no hydrogen 2.990 N/A ARG 83.A NH1 ASN 123.A OD1 no hydrogen 3.061 N/A ARG 83.A NH2 GLU 80.A OE1 no hydrogen 2.909 N/A GLN 84.A N LEU 72.A O no hydrogen 2.759 N/A GLN 84.A NE2 TYR 190.A OH no hydrogen 2.929 N/A SER 85.A N GLN 84.A OE1 no hydrogen 2.851 N/A LEU 86.A N ASN 123.A O no hydrogen 2.984 N/A ASN 88.A N SER 85.A O no hydrogen 2.944 N/A ASN 88.A ND2 GLN 84.A OE1 no hydrogen 2.766 N/A ALA 89.A N LEU 86.A O no hydrogen 3.089 N/A LEU 90.A N LEU 86.A O no hydrogen 2.952 N/A ILE 95.A N GLY 91.A O no hydrogen 3.142 N/A VAL 96.A N ASN 92.A O no hydrogen 2.964 N/A LYS 97.A N ASP 93.A O no hydrogen 3.029 N/A PHE 98.A N ARG 94.A O no hydrogen 2.936 N/A VAL 99.A N ILE 95.A O no hydrogen 2.889 N/A LYS 100.A N VAL 96.A O no hydrogen 3.036 N/A LYS 101.A N LYS 97.A O no hydrogen 3.229 N/A THR 102.A N PHE 98.A O no hydrogen 3.029 N/A THR 102.A OG1 PHE 98.A O no hydrogen 2.882 N/A LEU 103.A N VAL 99.A O no hydrogen 2.911 N/A ARG 104.A N LYS 100.A O no hydrogen 3.179 N/A LEU 105.A N LYS 101.A O no hydrogen 3.048 N/A ILE 106.A N THR 102.A O no hydrogen 2.965 N/A ALA 107.A N LEU 103.A O no hydrogen 2.955 N/A ASP 108.A N ARG 104.A O no hydrogen 3.129 N/A ASP 108.A N LEU 105.A O no hydrogen 3.165 N/A LEU 109.A N ILE 106.A O no hydrogen 3.071 N/A GLN 114.A NE2 ILE 106.A O no hydrogen 3.177 N/A GLN 114.A NE2 PRO 130.A O no hydrogen 3.028 N/A ARG 115.A N ILE 131.A O no hydrogen 2.852 N/A ARG 115.A NH1 GLN 114.A O no hydrogen 2.999 N/A ARG 115.A NH2 GLU 139.A OE2 no hydrogen 3.053 N/A THR 117.A OG1 ASN 134.A OD1 no hydrogen 2.754 N/A GLU 120.A N ASN 127.A O no hydrogen 2.779 N/A ARG 122.A N MET 125.A O no hydrogen 2.823 N/A ARG 122.A NE GLU 120.A OE1 no hydrogen 2.824 N/A ARG 122.A NH2 GLU 120.A OE1 no hydrogen 3.082 N/A ASN 123.A N GLU 69.A OE1 no hydrogen 2.757 N/A ASN 123.A ND2 GLU 69.A OE2 no hydrogen 2.728 N/A GLY 124.A N GLU 69.A OE1 no hydrogen 3.112 N/A ILE 126.A N VAL 181.A O no hydrogen 3.118 N/A ASN 127.A N GLU 120.A O no hydrogen 2.808 N/A ASN 127.A ND2 SER 178.A OG no hydrogen 2.876 N/A ASN 127.A ND2 ASP 180.A OD1 no hydrogen 2.842 N/A VAL 128.A N PHE 179.A O no hydrogen 2.796 N/A SER 129.A N PHE 118.A O no hydrogen 2.844 N/A SER 129.A OG ILE 177.A O no hydrogen 2.864 N/A GLY 132.A N SER 129.A OG no hydrogen 2.942 N/A ARG 133.A N THR 117.A O no hydrogen 2.836 N/A ARG 133.A NH1 ASN 127.A OD1 no hydrogen 3.006 N/A ASN 134.A N GLY 116.A O no hydrogen 2.997 N/A CYS 135.A N GLY 132.A O no hydrogen 3.217 N/A CYS 135.A SG GLY 132.A O no hydrogen 3.357 N/A CYS 135.A SG SER 136.A O no hydrogen 3.769 N/A SER 136.A N GLU 139.A OE1 no hydrogen 2.914 N/A GLN 137.A NE2 ASP 141.A OD1 no hydrogen 2.732 N/A GLN 137.A NE2 GLN 176.A OE1 no hydrogen 3.053 N/A GLU 139.A N SER 136.A OG no hydrogen 3.252 N/A ARG 140.A N SER 136.A O no hydrogen 2.959 N/A ARG 140.A NH2 ARG 133.A O no hydrogen 3.534 N/A ASP 141.A N GLN 137.A O no hydrogen 2.990 N/A GLU 142.A N ALA 138.A O no hydrogen 3.001 N/A PHE 143.A N GLU 139.A O no hydrogen 2.825 N/A GLU 144.A N ARG 140.A O no hydrogen 2.883 N/A VAL 145.A N ASP 141.A O no hydrogen 3.195 N/A TYR 146.A N GLU 142.A O no hydrogen 2.963 N/A ASP 147.A N PHE 143.A O no hydrogen 2.644 N/A ASN 148.A N GLU 144.A O no hydrogen 2.888 N/A GLU 149.A N VAL 145.A O no hydrogen 3.155 N/A HIS 150.A N TYR 146.A O no hydrogen 2.786 N/A ARG 151.A N ASP 147.A O no hydrogen 2.727 N/A ARG 153.A N ASP 147.A OD1 no hydrogen 2.756 N/A ARG 153.A NE ASP 147.A OD2 no hydrogen 2.909 N/A ARG 153.A NH1 GLY 175.A O no hydrogen 2.819 N/A ARG 153.A NH1 SER 178.A O no hydrogen 2.943 N/A ARG 153.A NH2 ASP 147.A OD2 no hydrogen 3.377 N/A ARG 153.A NH2 GLY 175.A O no hydrogen 3.505 N/A SER 155.A N ARG 151.A O no hydrogen 3.211 N/A SER 155.A OG ARG 151.A O no hydrogen 3.158 N/A LEU 156.A N VAL 152.A O no hydrogen 3.063 N/A ILE 157.A N ARG 153.A O no hydrogen 2.954 N/A ALA 158.A N ALA 154.A O no hydrogen 2.781 N/A GLU 159.A N SER 155.A O no hydrogen 2.907 N/A LEU 160.A N LEU 156.A O no hydrogen 2.916 N/A GLU 161.A N ILE 157.A O no hydrogen 2.781 N/A ASN 162.A N ALA 158.A O no hydrogen 3.073 N/A SER 163.A N GLU 159.A O no hydrogen 3.020 N/A SER 163.A OG GLU 159.A O no hydrogen 3.009 N/A PHE 164.A N LEU 160.A O no hydrogen 2.863 N/A PHE 167.A N PHE 164.A O no hydrogen 2.998 N/A LYS 170.A N PHE 182.A O no hydrogen 2.707 N/A SER 172.A N ASP 180.A O no hydrogen 2.922 N/A GLY 174.A N SER 178.A O no hydrogen 3.378 N/A GLN 176.A NE2 ASP 141.A OD1 no hydrogen 2.776 N/A GLN 176.A NE2 GLU 144.A OE1 no hydrogen 3.095 N/A PHE 179.A N VAL 128.A O no hydrogen 3.012 N/A ASP 180.A N SER 172.A O no hydrogen 2.873 N/A VAL 181.A N ILE 126.A O no hydrogen 2.756 N/A PHE 182.A N LYS 170.A O no hydrogen 3.165 N/A TRP 186.A N PRO 183.A O no hydrogen 2.919 N/A LYS 188.A NZ ASN 214.A O no hydrogen 3.033 N/A LYS 188.A NZ ASN 214.A OD1 no hydrogen 3.123 N/A LYS 188.A NZ ASP 215.A OD1 no hydrogen 3.008 N/A THR 189.A N ASP 187.A OD2 no hydrogen 2.923 N/A THR 189.A OG1 ASP 187.A OD1 no hydrogen 3.532 N/A THR 189.A OG1 ASP 187.A OD2 no hydrogen 2.610 N/A TYR 190.A N ASP 187.A O no hydrogen 2.838 N/A TYR 190.A OH HIS 82.A NE2 no hydrogen 2.562 N/A CYS 191.A N LYS 188.A O no hydrogen 3.127 N/A CYS 191.A SG LYS 188.A O no hydrogen 3.337 N/A LEU 192.A N THR 189.A O no hydrogen 2.991 N/A GLN 193.A NE2 TYR 190.A O no hydrogen 2.685 N/A PHE 194.A N CYS 191.A O no hydrogen 3.118 N/A VAL 195.A N LEU 192.A O no hydrogen 3.111 N/A GLU 196.A N LEU 192.A O no hydrogen 2.894 N/A ASP 198.A N VAL 195.A O no hydrogen 2.864 N/A GLU 200.A N ARG 4.A O no hydrogen 2.773 N/A HIS 203.A N LEU 6.A O no hydrogen 2.904 N/A HIS 203.A ND1 HIS 227.A NE2 no hydrogen 2.890 N/A HIS 203.A NE2 GLU 201.A OE1 no hydrogen 2.811 N/A PHE 204.A N ILE 225.A O no hydrogen 2.820 N/A PHE 205.A N LEU 8.A O no hydrogen 2.942 N/A GLY 206.A N HIS 227.A O no hydrogen 3.288 N/A ASP 207.A N ASP 215.A OD2 no hydrogen 3.152 N/A LYS 208.A N ASP 215.A OD2 no hydrogen 2.870 N/A GLY 213.A N GLN 210.A O no hydrogen 2.694 N/A ASN 214.A ND2 ILE 173.A O no hydrogen 3.196 N/A ASP 215.A N LYS 208.A O no hydrogen 2.921 N/A TYR 216.A N GLY 213.A O no hydrogen 3.104 N/A TYR 219.A N ASP 215.A O no hydrogen 2.833 N/A THR 220.A N TYR 216.A O no hydrogen 3.028 N/A THR 220.A OG1 TYR 216.A O no hydrogen 2.709 N/A THR 220.A OG1 GLU 217.A O no hydrogen 3.414 N/A ASP 221.A N ILE 218.A O no hydrogen 3.362 N/A ARG 223.A N ASP 221.A OD1 no hydrogen 2.788 N/A ARG 223.A NE ASP 221.A OD1 no hydrogen 2.862 N/A ARG 223.A NE ASP 221.A OD2 no hydrogen 3.454 N/A ARG 223.A NH1 GLU 196.A OE1 no hydrogen 2.905 N/A ARG 223.A NH2 ASP 221.A OD2 no hydrogen 2.739 N/A THR 224.A N ASP 221.A O no hydrogen 3.027 N/A THR 224.A OG1 ILE 218.A O no hydrogen 2.591 N/A THR 224.A OG1 TYR 219.A O no hydrogen 3.298 N/A THR 224.A OG1 ASP 221.A O no hydrogen 3.230 N/A ILE 225.A N ILE 202.A O no hydrogen 2.754 N/A HIS 227.A N PHE 204.A O no hydrogen 2.817 N/A HIS 227.A NE2 HIS 203.A ND1 no hydrogen 2.890 N/A VAL 229.A N GLY 206.A O no hydrogen 2.897 N/A THR 230.A N ASP 234.A OD2 no hydrogen 2.799 N/A THR 230.A OG1 ASP 234.A OD2 no hydrogen 2.713 N/A TYR 232.A OH GLU 25.A OE2 no hydrogen 2.882 N/A ASP 234.A N SER 231.A OG no hydrogen 3.163 N/A THR 235.A N SER 231.A O no hydrogen 3.156 N/A THR 235.A OG1 THR 14.A O no hydrogen 2.902 N/A THR 235.A OG1 SER 231.A O no hydrogen 3.207 N/A ILE 236.A N TYR 232.A O no hydrogen 2.949 N/A ALA 237.A N LYS 233.A O no hydrogen 3.047 N/A GLU 238.A N ASP 234.A O no hydrogen 3.093 N/A VAL 239.A N THR 235.A O no hydrogen 2.798 N/A GLU 240.A N ILE 236.A O no hydrogen 2.780 N/A ILE 242.A N GLU 238.A O no hydrogen 3.081 N/A ILE 243.A N VAL 239.A O no hydrogen 2.811 N/A ALA 244.A N GLU 240.A O no hydrogen 2.952 N/A MET 245.A N LYS 241.A O no hydrogen 3.123 N/A LYS 246.A N ILE 243.A O no hydrogen 3.097 N/A