Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dmd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 2.A N ASP 267.A O no hydrogen 2.876 N/A LYS 4.A N ALA 268.A O no hydrogen 3.204 N/A LEU 5.A N ARG 269.A O no hydrogen 3.318 N/A ARG 6.A N PHE 2.A O no hydrogen 2.946 N/A ARG 6.A NH2 ARG 307.A O no hydrogen 3.235 N/A GLU 7.A N GLY 3.A O no hydrogen 2.970 N/A LYS 8.A N LYS 4.A O no hydrogen 3.310 N/A LYS 8.A N LEU 5.A O no hydrogen 3.253 N/A LYS 8.A NZ GLU 7.A OE2 no hydrogen 3.003 N/A LEU 9.A N LEU 5.A O no hydrogen 3.100 N/A LYS 10.A N ARG 6.A O no hydrogen 2.906 N/A SER 11.A N GLU 7.A O no hydrogen 3.131 N/A SER 11.A OG GLU 7.A O no hydrogen 3.185 N/A SER 11.A OG LYS 8.A O no hydrogen 2.938 N/A PHE 12.A N LYS 8.A O no hydrogen 3.082 N/A VAL 13.A N LEU 9.A O no hydrogen 3.077 N/A LYS 14.A N LYS 10.A O no hydrogen 3.018 N/A LYS 14.A NZ GLU 17.A OE1 no hydrogen 3.181 N/A ARG 15.A N SER 11.A O no hydrogen 2.802 N/A VAL 16.A N PHE 12.A O no hydrogen 2.963 N/A GLU 17.A N VAL 13.A O no hydrogen 2.999 N/A GLU 18.A N LYS 14.A O no hydrogen 3.242 N/A VAL 20.A N VAL 16.A O no hydrogen 2.918 N/A GLU 21.A N GLU 17.A O no hydrogen 2.763 N/A LYS 22.A N GLU 18.A O no hydrogen 2.814 N/A LYS 22.A NZ GLU 19.A OE2 no hydrogen 3.424 N/A GLU 23.A N VAL 20.A O no hydrogen 3.020 N/A GLU 24.A N VAL 20.A O no hydrogen 2.893 N/A GLU 25.A N GLU 21.A O no hydrogen 2.936 N/A GLU 26.A N GLU 23.A O no hydrogen 3.058 N/A VAL 27.A N GLU 23.A O no hydrogen 3.342 N/A THR 30.A OG1 VAL 75.A O no hydrogen 3.052 N/A VAL 31.A N VAL 75.A O no hydrogen 2.851 N/A ILE 33.A N LYS 73.A O no hydrogen 2.880 N/A LYS 34.A N ASP 37.A OD2 no hydrogen 2.866 N/A ASP 37.A N LYS 34.A O no hydrogen 2.537 N/A VAL 38.A N GLU 35.A O no hydrogen 3.020 N/A ASP 39.A N GLU 35.A O no hydrogen 3.142 N/A LEU 42.A N VAL 38.A O no hydrogen 2.747 N/A ASP 43.A N ASP 39.A O no hydrogen 2.937 N/A GLU 44.A N LYS 40.A O no hydrogen 3.046 N/A LEU 45.A N ALA 41.A O no hydrogen 2.855 N/A GLU 46.A N LEU 42.A O no hydrogen 2.874 N/A ILE 47.A N ASP 43.A O no hydrogen 3.222 N/A ASP 48.A N GLU 44.A O no hydrogen 3.041 N/A LEU 49.A N LEU 45.A O no hydrogen 2.810 N/A LEU 50.A N GLU 46.A O no hydrogen 3.030 N/A GLU 51.A N ILE 47.A O no hydrogen 3.069 N/A ALA 52.A N LEU 49.A O no hydrogen 2.789 N/A ASP 53.A N LEU 50.A O no hydrogen 3.338 N/A VAL 54.A N LEU 49.A O no hydrogen 3.073 N/A ALA 55.A N SER 275.A OG no hydrogen 3.044 N/A VAL 59.A N ALA 55.A O no hydrogen 2.873 N/A ASP 60.A N LEU 56.A O no hydrogen 2.840 N/A ALA 61.A N GLU 57.A O no hydrogen 3.086 N/A LEU 62.A N VAL 58.A O no hydrogen 2.969 N/A ARG 63.A N VAL 59.A O no hydrogen 2.996 N/A ARG 63.A NH1 ASP 43.A OD1 no hydrogen 2.742 N/A ARG 63.A NH2 ASP 43.A OD1 no hydrogen 2.729 N/A GLU 64.A N ASP 60.A O no hydrogen 2.985 N/A LYS 65.A N ALA 61.A O no hydrogen 2.998 N/A LYS 65.A NZ GLU 95.A OE1 no hydrogen 2.797 N/A ILE 66.A N LEU 62.A O no hydrogen 2.930 N/A LYS 67.A N ARG 63.A O no hydrogen 2.900 N/A GLN 68.A N GLU 64.A O no hydrogen 2.948 N/A LYS 69.A N LYS 65.A O no hydrogen 2.905 N/A LYS 69.A NZ GLU 91.A OE1 no hydrogen 3.263 N/A LYS 69.A NZ GLU 95.A OE2 no hydrogen 2.683 N/A LEU 70.A N ILE 66.A O no hydrogen 2.975 N/A VAL 71.A N LYS 67.A O no hydrogen 3.022 N/A GLY 72.A N ILE 33.A O no hydrogen 2.774 N/A LYS 73.A N LEU 70.A O no hydrogen 2.922 N/A VAL 75.A N VAL 31.A O no hydrogen 2.814 N/A GLY 78.A N GLU 24.A OE2 no hydrogen 2.743 N/A THR 79.A N ARG 76.A O no hydrogen 3.402 N/A THR 79.A OG1 ARG 76.A O no hydrogen 2.714 N/A LYS 81.A NZ GLU 24.A OE2 no hydrogen 2.460 N/A LYS 81.A NZ THR 79.A O no hydrogen 2.697 N/A GLY 82.A N GLU 17.A OE2 no hydrogen 3.043 N/A LYS 83.A N ASP 80.A OD1 no hydrogen 3.227 N/A ILE 84.A N ASP 80.A O no hydrogen 3.275 N/A ILE 85.A N LYS 81.A O no hydrogen 2.865 N/A GLU 86.A N GLY 82.A O no hydrogen 3.035 N/A GLU 87.A N LYS 83.A O no hydrogen 3.000 N/A ALA 88.A N ILE 84.A O no hydrogen 3.216 N/A VAL 89.A N ILE 85.A O no hydrogen 3.023 N/A LYS 90.A N GLU 86.A O no hydrogen 2.805 N/A GLU 91.A N GLU 87.A O no hydrogen 2.852 N/A ALA 92.A N ALA 88.A O no hydrogen 2.886 N/A VAL 93.A N VAL 89.A O no hydrogen 2.922 N/A SER 94.A N LYS 90.A O no hydrogen 2.902 N/A GLU 95.A N GLU 91.A O no hydrogen 2.905 N/A ILE 96.A N ALA 92.A O no hydrogen 3.072 N/A LEU 97.A N VAL 93.A O no hydrogen 3.254 N/A GLU 98.A N GLU 95.A O no hydrogen 2.966 N/A SER 100.A N ASP 281.A OD1 no hydrogen 3.309 N/A SER 100.A OG ASP 281.A OD1 no hydrogen 2.973 N/A SER 100.A OG ASP 281.A OD2 no hydrogen 3.042 N/A GLU 108.A N ASP 104.A O no hydrogen 2.893 N/A ILE 109.A N LEU 105.A O no hydrogen 2.914 N/A ARG 110.A N ILE 106.A O no hydrogen 2.984 N/A LYS 111.A N GLU 107.A O no hydrogen 3.046 N/A ALA 112.A N ILE 109.A O no hydrogen 3.026 N/A LYS 114.A NZ ILE 109.A O no hydrogen 2.931 N/A LYS 114.A NZ ARG 110.A O no hydrogen 3.391 N/A LYS 114.A NZ ALA 112.A O no hydrogen 2.662 N/A TYR 116.A N ASP 199.A O no hydrogen 2.718 N/A ILE 118.A N VAL 201.A O no hydrogen 2.891 N/A MET 119.A N LEU 230.A O no hydrogen 2.921 N/A PHE 120.A N ILE 203.A O no hydrogen 3.330 N/A VAL 121.A N ILE 232.A O no hydrogen 2.903 N/A ASN 124.A N GLY 207.A O no hydrogen 3.008 N/A SER 126.A N PHE 123.A O no hydrogen 3.294 N/A SER 126.A OG PHE 123.A O no hydrogen 2.779 N/A LYS 128.A NZ GLY 122.A O no hydrogen 2.763 N/A LYS 128.A NZ THR 205.A O no hydrogen 3.059 N/A LYS 128.A NZ THR 205.A OG1 no hydrogen 2.918 N/A THR 131.A N GLY 127.A O no hydrogen 2.947 N/A THR 131.A OG1 GLY 127.A O no hydrogen 2.561 N/A ILE 132.A N LYS 128.A O no hydrogen 3.008 N/A ALA 133.A N THR 129.A O no hydrogen 3.447 N/A LYS 134.A N THR 130.A O no hydrogen 3.036 N/A LYS 134.A NZ GLY 292.A O no hydrogen 3.204 N/A LEU 135.A N THR 131.A O no hydrogen 2.876 N/A ALA 136.A N ILE 132.A O no hydrogen 2.878 N/A ASN 137.A N ALA 133.A O no hydrogen 2.947 N/A TRP 138.A N LYS 134.A O no hydrogen 2.991 N/A LEU 139.A N LEU 135.A O no hydrogen 2.929 N/A LYS 140.A N ALA 136.A O no hydrogen 2.944 N/A LYS 140.A NZ ILE 169.A O no hydrogen 3.506 N/A LYS 140.A NZ GLY 170.A O no hydrogen 2.951 N/A ASN 141.A N ASN 137.A O no hydrogen 2.976 N/A HIS 142.A N TRP 138.A O no hydrogen 3.265 N/A HIS 142.A N LEU 139.A O no hydrogen 3.137 N/A HIS 142.A ND1 TRP 138.A O no hydrogen 2.838 N/A GLY 143.A N LYS 140.A O no hydrogen 2.691 N/A PHE 144.A N LEU 139.A O no hydrogen 3.157 N/A SER 145.A N ASP 199.A OD2 no hydrogen 2.763 N/A SER 145.A OG ASP 199.A OD2 no hydrogen 3.023 N/A VAL 147.A N VAL 200.A O no hydrogen 2.830 N/A ILE 148.A N LYS 172.A O no hydrogen 3.033 N/A ALA 149.A N LEU 202.A O no hydrogen 2.830 N/A ALA 150.A N ILE 174.A O no hydrogen 2.843 N/A SER 151.A N ALA 149.A O no hydrogen 2.945 N/A SER 151.A OG PRO 182.A O no hydrogen 2.847 N/A THR 153.A OG1 ALA 180.A O no hydrogen 2.739 N/A ARG 155.A N ASP 152.A O no hydrogen 3.276 N/A ARG 155.A NH1 ASP 152.A OD2 no hydrogen 2.796 N/A ILE 159.A N ARG 155.A O no hydrogen 3.112 N/A GLU 160.A N ALA 156.A O no hydrogen 3.091 N/A GLN 161.A N GLY 157.A O no hydrogen 3.088 N/A LEU 162.A N ALA 158.A O no hydrogen 2.922 N/A GLU 163.A N ILE 159.A O no hydrogen 2.911 N/A GLU 164.A N GLU 160.A O no hydrogen 2.942 N/A HIS 165.A N GLN 161.A O no hydrogen 3.112 N/A ALA 166.A N LEU 162.A O no hydrogen 2.874 N/A LYS 167.A N GLU 163.A O no hydrogen 3.002 N/A ARG 168.A N GLU 164.A O no hydrogen 3.199 N/A ILE 169.A N HIS 165.A O no hydrogen 3.281 N/A ILE 169.A N ALA 166.A O no hydrogen 3.218 N/A GLY 170.A N LYS 167.A O no hydrogen 3.371 N/A VAL 171.A N ALA 166.A O no hydrogen 2.883 N/A ILE 174.A N ILE 148.A O no hydrogen 2.769 N/A LYS 175.A NZ GLU 163.A OE2 no hydrogen 3.285 N/A HIS 176.A NE2 ASP 188.A OD2 no hydrogen 2.850 N/A TYR 178.A OH PHE 154.A O no hydrogen 3.427 N/A GLY 179.A N THR 153.A O no hydrogen 2.800 N/A ALA 180.A N SER 177.A O.A no hydrogen 3.266 N/A ALA 180.A N SER 177.A O.B no hydrogen 3.147 N/A ALA 184.A N ASP 181.A OD2 no hydrogen 2.904 N/A VAL 185.A N ASP 181.A O no hydrogen 3.204 N/A ALA 186.A N PRO 182.A O no hydrogen 3.162 N/A TYR 187.A N ALA 183.A O no hydrogen 2.886 N/A ASP 188.A N ALA 184.A O no hydrogen 2.943 N/A ALA 189.A N VAL 185.A O no hydrogen 2.908 N/A ILE 190.A N ALA 186.A O no hydrogen 2.987 N/A GLN 191.A N TYR 187.A O no hydrogen 2.970 N/A GLN 191.A NE2 TYR 187.A O no hydrogen 3.664 N/A HIS 192.A N ASP 188.A O no hydrogen 3.016 N/A ALA 193.A N ALA 189.A O no hydrogen 2.925 N/A LYS 194.A N ILE 190.A O no hydrogen 2.975 N/A LYS 194.A NZ GLN 191.A OE1 no hydrogen 2.766 N/A ALA 195.A N GLN 191.A O no hydrogen 2.924 N/A ARG 196.A N HIS 192.A O no hydrogen 2.842 N/A ARG 196.A N ALA 193.A O no hydrogen 3.134 N/A GLY 197.A N LYS 194.A O no hydrogen 2.996 N/A ILE 198.A N ALA 193.A O no hydrogen 2.882 N/A ASP 199.A N SER 145.A OG no hydrogen 2.668 N/A VAL 200.A N SER 145.A O no hydrogen 2.954 N/A VAL 201.A N TYR 116.A O no hydrogen 3.033 N/A LEU 202.A N VAL 147.A O no hydrogen 2.847 N/A ILE 203.A N ILE 118.A O no hydrogen 2.831 N/A ASP 204.A N ALA 149.A O no hydrogen 2.980 N/A THR 205.A OG1 PHE 120.A O no hydrogen 2.547 N/A ARG 208.A NE GLU 210.A OE2 no hydrogen 2.925 N/A ARG 208.A NH2 GLU 210.A OE2 no hydrogen 3.366 N/A THR 211.A N GLU 210.A OE1 no hydrogen 3.419 N/A LEU 215.A N SER 209.A OG no hydrogen 2.951 N/A MET 216.A N ASN 214.A OD1 no hydrogen 3.268 N/A ASP 217.A N ASN 214.A O no hydrogen 2.928 N/A GLU 218.A N ASN 214.A O no hydrogen 3.020 N/A MET 219.A N LEU 215.A O no hydrogen 2.906 N/A LYS 220.A N MET 216.A O no hydrogen 3.177 N/A LYS 221.A N ASP 217.A O no hydrogen 2.870 N/A LYS 221.A NZ ASP 181.A OD1 no hydrogen 2.701 N/A ILE 222.A N GLU 218.A O no hydrogen 3.000 N/A ALA 223.A N MET 219.A O no hydrogen 2.909 N/A ARG 224.A N LYS 220.A O no hydrogen 2.896 N/A VAL 225.A N LYS 221.A O no hydrogen 2.975 N/A THR 226.A N ILE 222.A O no hydrogen 2.869 N/A THR 226.A OG1 ILE 222.A O no hydrogen 2.847 N/A LYS 227.A N ALA 223.A O no hydrogen 2.732 N/A ASN 229.A N VAL 117.A O no hydrogen 2.727 N/A ASN 229.A ND2 PRO 115.A O no hydrogen 3.629 N/A ASN 229.A ND2 VAL 117.A O no hydrogen 3.670 N/A LEU 230.A N VAL 117.A O no hydrogen 3.220 N/A VAL 231.A N ASP 257.A OD2 no hydrogen 2.741 N/A ILE 232.A N MET 119.A O no hydrogen 2.819 N/A PHE 233.A N GLY 258.A O no hydrogen 2.951 N/A VAL 234.A N VAL 121.A O no hydrogen 2.892 N/A GLY 235.A N ILE 260.A O no hydrogen 2.996 N/A ALA 237.A N THR 262.A O no hydrogen 2.969 N/A LEU 238.A N ASP 236.A OD1 no hydrogen 2.782 N/A ALA 239.A N ASP 236.A O no hydrogen 2.812 N/A ALA 242.A N ALA 239.A O no hydrogen 3.000 N/A ILE 243.A N ALA 239.A O no hydrogen 3.002 N/A GLN 246.A N ALA 242.A O no hydrogen 2.862 N/A ALA 247.A N ILE 243.A O no hydrogen 2.859 N/A ARG 248.A N VAL 244.A O no hydrogen 2.990 N/A ARG 248.A NH1 GLU 245.A OE1 no hydrogen 3.102 N/A GLN 249.A N GLU 245.A O no hydrogen 2.996 N/A PHE 250.A N GLN 246.A O no hydrogen 3.045 N/A ASN 251.A N ALA 247.A O no hydrogen 2.739 N/A GLU 252.A N ARG 248.A O no hydrogen 3.059 N/A GLU 252.A N GLN 249.A O no hydrogen 3.234 N/A ALA 253.A N PHE 250.A O no hydrogen 2.861 N/A VAL 254.A N PHE 250.A O no hydrogen 2.888 N/A ILE 256.A N ASN 251.A OD1 no hydrogen 2.980 N/A ASP 257.A N VAL 231.A O no hydrogen 2.863 N/A GLY 258.A N VAL 231.A O no hydrogen 3.314 N/A ILE 259.A N PRO 283.A O no hydrogen 2.870 N/A ILE 260.A N PHE 233.A O no hydrogen 2.845 N/A LEU 261.A N PHE 286.A O no hydrogen 3.382 N/A THR 262.A N GLY 235.A O no hydrogen 2.837 N/A THR 262.A OG1 SER 126.A O no hydrogen 2.799 N/A THR 262.A OG1 GLY 235.A O no hydrogen 3.451 N/A LEU 264.A N GLY 288.A O no hydrogen 2.805 N/A ALA 266.A N LYS 263.A O no hydrogen 3.100 N/A ASP 267.A N LEU 264.A O no hydrogen 2.917 N/A ARG 269.A N ASP 267.A OD1 no hydrogen 3.039 N/A ARG 269.A NE ASP 53.A OD2 no hydrogen 3.132 N/A ARG 269.A NH2 GLU 51.A O no hydrogen 2.924 N/A ARG 269.A NH2 ASP 53.A OD1 no hydrogen 2.968 N/A ARG 269.A NH2 ASP 53.A OD2 no hydrogen 3.438 N/A GLY 270.A N ASP 267.A OD1 no hydrogen 3.065 N/A LEU 274.A N GLY 270.A O no hydrogen 2.917 N/A SER 275.A N ALA 272.A O no hydrogen 2.970 N/A SER 275.A OG GLY 271.A O no hydrogen 2.712 N/A ILE 276.A N ALA 272.A O no hydrogen 2.931 N/A SER 277.A OG.A ALA 282.A O no hydrogen 3.232 N/A SER 277.A OG.B ALA 282.A O no hydrogen 2.663 N/A VAL 279.A N SER 275.A O no hydrogen 3.131 N/A ILE 280.A N ILE 276.A O no hydrogen 3.166 N/A ASP 281.A N SER 277.A O.A no hydrogen 2.747 N/A ALA 282.A N SER 277.A O.A no hydrogen 3.298 N/A ALA 282.A N SER 277.A O.B no hydrogen 3.281 N/A LEU 285.A N ILE 259.A O no hydrogen 2.818 N/A VAL 287.A N ARG 297.A O no hydrogen 2.890 N/A GLY 288.A N LEU 261.A O no hydrogen 2.757 N/A VAL 289.A N ASP 295.A O no hydrogen 2.915 N/A GLY 292.A N ASP 295.A OD2 no hydrogen 2.739 N/A ASP 295.A N GLY 292.A O no hydrogen 2.873 N/A ARG 297.A N VAL 287.A O no hydrogen 2.912 N/A ARG 297.A NE ASP 294.A O no hydrogen 2.793 N/A ARG 297.A NH2 ASP 295.A OD1 no hydrogen 3.089 N/A PHE 299.A N LEU 285.A O no hydrogen 2.919 N/A LYS 301.A NZ SER 94.A O no hydrogen 3.408 N/A PHE 304.A N GLU 300.A O no hydrogen 3.136 N/A LEU 305.A N LYS 301.A O no hydrogen 2.979 N/A GLU 306.A N GLU 302.A O no hydrogen 2.927 N/A ARG 307.A N TRP 303.A O no hydrogen 3.148 N/A ILE 308.A N PHE 304.A O no hydrogen 3.128 N/A ILE 308.A N LEU 305.A O no hydrogen 3.049 N/A PHE 309.A N LEU 305.A O no hydrogen 2.977 N/A