Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ddm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N PHE 68.A O no hydrogen 2.885 N/A ALA 6.A N GLU 28.A O no hydrogen 2.857 N/A ARG 7.A N GLU 28.A O no hydrogen 3.455 N/A ARG 7.A NH2 GLU 26.A OE1 no hydrogen 3.413 N/A ARG 9.A N GLU 26.A O no hydrogen 3.195 N/A ALA 10.A N GLU 56.A OE2 no hydrogen 3.150 N/A HIS 11.A N LEU 24.A O no hydrogen 2.866 N/A PHE 13.A N ALA 22.A O no hydrogen 2.948 N/A ARG 14.A NE ASP 19.A OD2 no hydrogen 2.857 N/A ARG 14.A NH1 GLU 49.A OE2 no hydrogen 3.031 N/A ARG 14.A NH2 ASP 19.A OD2 no hydrogen 3.521 N/A ARG 14.A NH2 ALA 45.A O no hydrogen 2.295 N/A TYR 15.A N ARG 20.A O no hydrogen 2.855 N/A VAL 17.A N HIS 18.A O no hydrogen 3.327 N/A ARG 20.A N TYR 15.A O no hydrogen 2.871 N/A ARG 20.A NH1 ASP 320.A OD2 no hydrogen 2.682 N/A LEU 24.A N HIS 11.A O no hydrogen 2.949 N/A VAL 25.A N GLY 37.A O no hydrogen 2.831 N/A GLU 26.A N ARG 9.A O no hydrogen 3.046 N/A VAL 27.A N GLY 35.A O no hydrogen 2.903 N/A GLU 28.A N ARG 7.A O no hydrogen 2.796 N/A ASP 29.A N ALA 33.A O no hydrogen 2.537 N/A SER 30.A N ASP 29.A OD2 no hydrogen 2.610 N/A SER 30.A OG ASP 29.A OD2 no hydrogen 3.488 N/A GLY 32.A N ASP 29.A O no hydrogen 3.148 N/A GLY 35.A N VAL 27.A O no hydrogen 3.010 N/A TRP 36.A N ASP 108.A OD2 no hydrogen 2.681 N/A GLY 37.A N VAL 25.A O no hydrogen 2.777 N/A VAL 39.A N VAL 23.A O no hydrogen 2.943 N/A TRP 40.A N ALA 265.A O no hydrogen 3.187 N/A GLY 47.A N PRO 44.A O no hydrogen 3.049 N/A GLU 49.A N GLU 49.A OE1 no hydrogen 2.689 N/A HIS 50.A NE2 GLU 91.A OE1 no hydrogen 2.584 N/A ARG 51.A N GLY 47.A O no hydrogen 3.338 N/A ARG 51.A NE GLN 97.A OE1 no hydrogen 2.764 N/A ARG 51.A NH1 GLY 47.A O no hydrogen 3.105 N/A ARG 51.A NH2 GLN 97.A OE1 no hydrogen 2.707 N/A ALA 52.A N ALA 48.A O no hydrogen 3.113 N/A ARG 53.A N GLU 49.A O no hydrogen 2.862 N/A LEU 54.A N HIS 50.A O no hydrogen 2.860 N/A VAL 55.A N ARG 51.A O no hydrogen 3.131 N/A GLU 56.A N ALA 52.A O no hydrogen 3.106 N/A THR 57.A N ARG 53.A O no hydrogen 2.695 N/A THR 57.A OG1 ARG 53.A O no hydrogen 2.895 N/A VAL 58.A N LEU 54.A O no hydrogen 2.883 N/A LEU 59.A N LEU 54.A O no hydrogen 3.104 N/A ALA 60.A N VAL 55.A O no hydrogen 2.786 N/A LEU 63.A N LEU 59.A O no hydrogen 2.953 N/A THR 64.A N ALA 60.A O no hydrogen 2.790 N/A THR 64.A OG1 ALA 60.A O no hydrogen 3.223 N/A ARG 66.A NE ALA 67.A O no hydrogen 2.987 N/A ARG 66.A NH2 ALA 67.A O no hydrogen 3.240 N/A PHE 68.A N ILE 3.A O no hydrogen 2.856 N/A GLN 73.A N ASP 70.A OD1 no hydrogen 2.965 N/A ALA 74.A N ASP 70.A O no hydrogen 3.288 N/A PHE 75.A N PRO 71.A O no hydrogen 2.809 N/A ALA 76.A N ALA 72.A O no hydrogen 2.990 N/A HIS 77.A N GLN 73.A O no hydrogen 2.966 N/A LEU 78.A N ALA 74.A O no hydrogen 3.031 N/A GLU 79.A N PHE 75.A O no hydrogen 3.071 N/A ALA 80.A N ALA 76.A O no hydrogen 3.258 N/A ARG 81.A N HIS 77.A O no hydrogen 2.889 N/A THR 82.A N GLU 79.A O no hydrogen 3.070 N/A THR 82.A OG1 LEU 78.A O no hydrogen 2.820 N/A THR 82.A OG1 GLU 79.A O no hydrogen 3.305 N/A ALA 86.A N THR 82.A O no hydrogen 2.908 N/A ILE 87.A N ALA 83.A O no hydrogen 3.328 N/A GLN 88.A N VAL 84.A O no hydrogen 3.015 N/A THR 89.A N LEU 85.A O no hydrogen 3.149 N/A THR 89.A OG1 LEU 85.A O no hydrogen 2.812 N/A THR 89.A OG1 ALA 86.A O no hydrogen 3.557 N/A GLY 90.A N ALA 86.A O no hydrogen 2.619 N/A GLU 91.A N ALA 86.A O no hydrogen 3.343 N/A LEU 95.A N GLU 91.A O no hydrogen 3.356 N/A ALA 96.A N PRO 92.A O no hydrogen 3.095 N/A GLN 97.A N GLY 93.A O no hydrogen 2.871 N/A ALA 98.A N PRO 94.A O no hydrogen 2.884 N/A ILE 99.A N LEU 95.A O no hydrogen 2.860 N/A ALA 100.A N ALA 96.A O no hydrogen 2.684 N/A GLY 101.A N GLN 97.A O no hydrogen 2.942 N/A LEU 102.A N ALA 98.A O no hydrogen 3.117 N/A ASP 103.A N ILE 99.A O no hydrogen 3.002 N/A ASP 103.A N ALA 100.A O no hydrogen 3.125 N/A ILE 104.A N ALA 100.A O no hydrogen 3.065 N/A ALA 105.A N GLY 101.A O no hydrogen 3.250 N/A LEU 106.A N LEU 102.A O no hydrogen 3.039 N/A CYS 107.A N ASP 103.A O no hydrogen 2.905 N/A CYS 107.A SG ASP 103.A O no hydrogen 3.425 N/A CYS 107.A SG ASP 103.A OD1 no hydrogen 3.623 N/A ASP 108.A N ILE 104.A O no hydrogen 2.987 N/A LEU 109.A N ALA 105.A O no hydrogen 2.799 N/A ALA 110.A N LEU 106.A O no hydrogen 2.912 N/A ALA 111.A N CYS 107.A O no hydrogen 2.805 N/A ARG 112.A N ASP 108.A O no hydrogen 2.910 N/A ARG 112.A NH1 PRO 348.A O no hydrogen 2.461 N/A ARG 112.A NH2 THR 353.A OG1 no hydrogen 3.058 N/A ARG 113.A N LEU 109.A O no hydrogen 2.975 N/A ARG 113.A NH1 ASP 29.A OD1 no hydrogen 3.054 N/A ARG 113.A NH1 ASP 31.A OD2 no hydrogen 2.552 N/A ALA 114.A N ALA 110.A O no hydrogen 3.125 N/A GLY 115.A N ARG 112.A O no hydrogen 2.583 N/A GLN 116.A N ALA 111.A O no hydrogen 2.751 N/A LEU 118.A N GLY 349.A O no hydrogen 2.761 N/A TRP 119.A N HIS 303.A ND1 no hydrogen 3.016 N/A TRP 119.A NE1 GLY 345.A O no hydrogen 3.032 N/A ALA 120.A N PRO 117.A O no hydrogen 2.855 N/A TRP 121.A N PRO 117.A O no hydrogen 3.126 N/A LEU 122.A N LEU 118.A O no hydrogen 2.904 N/A GLY 123.A N ALA 120.A O no hydrogen 2.840 N/A GLY 124.A N TRP 119.A O no hydrogen 2.857 N/A ILE 129.A N ILE 342.A O no hydrogen 2.856 N/A VAL 131.A N GLY 340.A O no hydrogen 3.251 N/A TYR 132.A N LEU 317.A O no hydrogen 2.994 N/A ALA 133.A N ALA 155.A O no hydrogen 2.808 N/A SER 134.A N VAL 319.A O no hydrogen 2.734 N/A ILE 136.A N LYS 157.A O no hydrogen 3.169 N/A ASN 137.A ND2 GLU 139.A OE1 no hydrogen 3.362 N/A ASN 140.A ND2 GLU 142.A OE1 no hydrogen 3.270 N/A ASP 143.A N ASN 140.A O no hydrogen 3.194 N/A VAL 144.A N ASN 140.A O no hydrogen 3.461 N/A VAL 145.A N PRO 141.A O no hydrogen 2.857 N/A ALA 146.A N GLU 142.A O no hydrogen 3.092 N/A ARG 147.A N ASP 143.A O no hydrogen 3.117 N/A LYS 148.A N VAL 144.A O no hydrogen 2.766 N/A LYS 148.A NZ GLU 151.A OE1 no hydrogen 2.739 N/A LYS 148.A NZ ALA 321.A O no hydrogen 2.896 N/A ALA 149.A N VAL 145.A O no hydrogen 2.936 N/A ALA 150.A N ALA 146.A O no hydrogen 2.935 N/A GLU 151.A N ARG 147.A O no hydrogen 3.069 N/A GLY 152.A N LYS 148.A O no hydrogen 3.198 N/A GLY 152.A N ALA 149.A O no hydrogen 3.015 N/A TYR 153.A N LYS 148.A O no hydrogen 2.940 N/A ARG 154.A NH1 ALA 149.A O no hydrogen 2.877 N/A ARG 154.A NH1 TYR 153.A O no hydrogen 2.610 N/A PHE 156.A N PRO 183.A O no hydrogen 3.163 N/A LYS 157.A N ALA 133.A O no hydrogen 2.829 N/A LYS 157.A NZ TYR 132.A OH no hydrogen 2.916 N/A LYS 157.A NZ GLU 213.A OE1 no hydrogen 2.735 N/A LYS 157.A NZ GLU 213.A OE2 no hydrogen 3.442 N/A LEU 158.A N MET 185.A O no hydrogen 3.050 N/A LYS 159.A N ILE 136.A O no hydrogen 3.176 N/A LYS 159.A NZ ASP 187.A OD2 no hydrogen 2.832 N/A LYS 159.A NZ ASN 189.A OD1 no hydrogen 2.928 N/A VAL 160.A N ASP 187.A O no hydrogen 2.913 N/A GLY 161.A N ASP 167.A OD2 no hydrogen 2.771 N/A ARG 166.A N ASP 163.A OD2 no hydrogen 2.697 N/A ARG 166.A NH2 GLU 139.A O no hydrogen 2.801 N/A ASP 167.A N ASP 163.A O no hydrogen 2.927 N/A VAL 168.A N ASP 164.A O no hydrogen 3.292 N/A ARG 169.A N ALA 165.A O no hydrogen 3.154 N/A ASN 170.A N ARG 166.A O no hydrogen 2.812 N/A ASN 170.A ND2 PRO 138.A O no hydrogen 3.024 N/A ALA 171.A N ASP 167.A O no hydrogen 2.842 N/A LEU 172.A N VAL 168.A O no hydrogen 3.184 N/A HIS 173.A N ARG 169.A O no hydrogen 2.756 N/A VAL 174.A N ASN 170.A O no hydrogen 2.849 N/A ARG 175.A N ALA 171.A O no hydrogen 3.203 N/A ARG 175.A NE ALA 207.A O no hydrogen 2.750 N/A ARG 175.A NH1 THR 182.A O no hydrogen 2.700 N/A ARG 175.A NH2 THR 182.A O no hydrogen 3.156 N/A ARG 175.A NH2 ALA 207.A O no hydrogen 3.255 N/A ARG 175.A NH2 GLN 208.A O no hydrogen 3.167 N/A GLU 176.A N LEU 172.A O no hydrogen 3.038 N/A LEU 177.A N HIS 173.A O no hydrogen 3.032 N/A LEU 178.A N VAL 174.A O no hydrogen 3.033 N/A GLY 179.A N ARG 175.A O no hydrogen 2.899 N/A GLY 179.A N GLU 176.A O no hydrogen 3.088 N/A THR 182.A OG1 LEU 178.A O no hydrogen 3.545 N/A MET 185.A N PHE 156.A O no hydrogen 2.824 N/A ALA 186.A N TRP 211.A O no hydrogen 3.298 N/A ASP 187.A N LEU 158.A O no hydrogen 2.767 N/A ALA 188.A N GLU 213.A O no hydrogen 2.893 N/A GLN 190.A N GLU 214.A O no hydrogen 2.608 N/A GLY 191.A N ALA 188.A O no hydrogen 2.994 N/A ARG 196.A N ASP 193.A OD1 no hydrogen 2.982 N/A ARG 196.A NE ASP 164.A OD1 no hydrogen 2.980 N/A ARG 196.A NH2 ASP 164.A OD1 no hydrogen 2.835 N/A ALA 197.A N ASP 193.A O no hydrogen 3.000 N/A ARG 198.A N LEU 194.A O no hydrogen 3.072 N/A ARG 198.A NH1 GLU 227.A OE2 no hydrogen 3.044 N/A GLN 199.A N PRO 195.A O no hydrogen 3.189 N/A MET 200.A N ARG 196.A O no hydrogen 2.730 N/A ALA 201.A N ALA 197.A O no hydrogen 2.661 N/A GLN 202.A N ARG 198.A O no hydrogen 3.189 N/A GLN 202.A N GLN 199.A O no hydrogen 3.252 N/A GLN 202.A NE2 ALA 231.A O no hydrogen 3.005 N/A ARG 203.A N GLN 199.A O no hydrogen 3.159 N/A LEU 204.A N MET 200.A O no hydrogen 2.837 N/A GLY 205.A N GLN 202.A O no hydrogen 3.111 N/A ALA 207.A N LEU 204.A O no hydrogen 2.663 N/A GLN 208.A N GLY 205.A O no hydrogen 2.905 N/A ASP 210.A N LEU 184.A O no hydrogen 2.705 N/A LEU 212.A N PRO 235.A O no hydrogen 2.879 N/A GLU 213.A N ALA 186.A O no hydrogen 2.585 N/A GLU 214.A N ALA 237.A O no hydrogen 2.977 N/A ARG 220.A N ARG 217.A O no hydrogen 3.092 N/A ARG 220.A NH1 GLU 224.A OE1 no hydrogen 2.622 N/A GLU 224.A N PRO 221.A O no hydrogen 2.946 N/A ALA 226.A N ALA 222.A O no hydrogen 2.796 N/A GLU 227.A N ALA 223.A O no hydrogen 3.041 N/A LEU 228.A N GLU 224.A O no hydrogen 2.999 N/A ALA 229.A N TRP 225.A O no hydrogen 2.829 N/A GLN 230.A N ALA 226.A O no hydrogen 3.336 N/A ALA 231.A N GLU 227.A O no hydrogen 3.129 N/A ALA 232.A N LEU 228.A O no hydrogen 2.802 N/A ALA 237.A N LEU 212.A O no hydrogen 2.961 N/A GLY 238.A N VAL 259.A O no hydrogen 3.107 N/A ILE 242.A N GLY 239.A O no hydrogen 3.088 N/A PHE 248.A N GLY 244.A O no hydrogen 3.441 N/A GLU 249.A N VAL 245.A O no hydrogen 3.205 N/A THR 250.A N ALA 246.A O no hydrogen 3.161 N/A THR 250.A OG1 ALA 246.A O no hydrogen 3.131 N/A ALA 251.A N ALA 247.A O no hydrogen 3.090 N/A LEU 252.A N PHE 248.A O no hydrogen 2.751 N/A ALA 253.A N GLU 249.A O no hydrogen 2.652 N/A ALA 254.A N THR 250.A O no hydrogen 3.274 N/A ALA 254.A N ALA 251.A O no hydrogen 3.278 N/A ARG 255.A N ALA 251.A O no hydrogen 3.014 N/A ARG 255.A NH1 ALA 283.A O no hydrogen 2.997 N/A ARG 255.A NH2 ALA 283.A O no hydrogen 2.739 N/A ARG 258.A N LEU 236.A O no hydrogen 2.828 N/A VAL 259.A N LEU 236.A O no hydrogen 3.184 N/A MET 260.A N ARG 286.A O no hydrogen 2.935 N/A GLN 261.A N GLY 238.A O no hydrogen 2.784 N/A GLN 261.A NE2 GLU 213.A OE1 no hydrogen 2.672 N/A ALA 265.A N ASP 263.A OD1 no hydrogen 3.125 N/A LYS 266.A N ASP 263.A O no hydrogen 2.659 N/A LYS 266.A NZ GLU 240.A O no hydrogen 2.933 N/A LYS 266.A NZ GLU 240.A OE1 no hydrogen 2.661 N/A TRP 267.A N ASP 263.A O no hydrogen 2.983 N/A GLY 269.A N TRP 267.A O no hydrogen 2.745 N/A SER 271.A N ASP 103.A OD1 no hydrogen 2.848 N/A SER 271.A OG ASP 103.A OD1 no hydrogen 2.824 N/A SER 271.A OG ASP 103.A OD2 no hydrogen 2.451 N/A GLY 272.A N GLY 268.A O no hydrogen 2.951 N/A CYS 273.A N GLY 269.A O no hydrogen 2.851 N/A CYS 273.A SG TRP 267.A O no hydrogen 3.089 N/A LEU 274.A N PHE 270.A O no hydrogen 2.952 N/A ALA 277.A N CYS 273.A O no hydrogen 2.764 N/A ARG 278.A N LEU 274.A O no hydrogen 2.789 N/A ALA 279.A N PRO 275.A O no hydrogen 2.836 N/A VAL 280.A N VAL 276.A O no hydrogen 2.843 N/A VAL 281.A N ALA 277.A O no hydrogen 3.095 N/A ALA 282.A N ARG 278.A O no hydrogen 2.883 N/A ALA 283.A N ALA 279.A O no hydrogen 2.943 N/A GLY 284.A N VAL 281.A O no hydrogen 3.117 N/A LEU 285.A N VAL 280.A O no hydrogen 3.054 N/A ARG 286.A N ARG 258.A O no hydrogen 2.963 N/A ARG 286.A NH1 ASP 210.A OD2 no hydrogen 3.402 N/A ARG 286.A NH2 PRO 314.A O no hydrogen 3.000 N/A CYS 288.A N MET 260.A O no hydrogen 3.372 N/A TYR 291.A N GLY 318.A O no hydrogen 3.251 N/A TYR 291.A OH GLU 38.A OE2 no hydrogen 2.774 N/A ALA 294.A N GLU 38.A OE2 no hydrogen 2.742 N/A GLY 295.A N LEU 326.A O no hydrogen 2.978 N/A GLY 297.A N GLU 38.A OE1 no hydrogen 2.730 N/A LEU 298.A N ALA 294.A O no hydrogen 3.371 N/A GLN 299.A N GLY 295.A O no hydrogen 2.815 N/A GLN 299.A NE2 LEU 350.A O no hydrogen 2.887 N/A ALA 300.A N ILE 296.A O no hydrogen 2.941 N/A SER 301.A N GLY 297.A O no hydrogen 3.027 N/A SER 301.A OG GLY 297.A O no hydrogen 3.014 N/A ALA 302.A N LEU 298.A O no hydrogen 2.955 N/A HIS 303.A N GLN 299.A O no hydrogen 3.048 N/A HIS 303.A NE2 LEU 350.A O no hydrogen 3.064 N/A LEU 304.A N ALA 300.A O no hydrogen 3.235 N/A LEU 305.A N SER 301.A O no hydrogen 2.988 N/A ALA 306.A N ALA 302.A O no hydrogen 3.015 N/A ALA 307.A N HIS 303.A O no hydrogen 2.991 N/A VAL 308.A N LEU 304.A O no hydrogen 2.920 N/A GLY 315.A N PRO 309.A O no hydrogen 3.250 N/A LEU 317.A N GLY 130.A O no hydrogen 2.964 N/A GLY 318.A N PRO 289.A O no hydrogen 2.880 N/A VAL 319.A N TYR 132.A O no hydrogen 2.921 N/A ALA 321.A N SER 134.A O no hydrogen 2.853 N/A ASN 322.A N ASP 320.A OD1 no hydrogen 3.098 N/A ARG 327.A N ASN 324.A O no hydrogen 2.881 N/A ARG 327.A NH2 ASN 322.A O no hydrogen 2.243 N/A SER 328.A N ASN 324.A O no hydrogen 3.078 N/A LEU 329.A N PRO 325.A O no hydrogen 2.729 N/A LEU 330.A N ARG 327.A O no hydrogen 3.172 N/A SER 331.A OG ARG 327.A O no hydrogen 2.585 N/A ALA 333.A N GLN 299.A OE1 no hydrogen 2.987 N/A LEU 334.A N SER 331.A O no hydrogen 3.142 N/A ALA 335.A N PRO 332.A O no hydrogen 3.014 N/A THR 336.A N ALA 333.A O no hydrogen 3.126 N/A THR 336.A OG1 ALA 333.A O no hydrogen 2.797 N/A THR 336.A OG1 THR 343.A O no hydrogen 3.539 N/A LEU 337.A N LEU 334.A O no hydrogen 2.889 N/A HIS 338.A N ARG 341.A O no hydrogen 2.913 N/A GLY 340.A N GLY 152.A O no hydrogen 3.009 N/A ARG 341.A N HIS 338.A O no hydrogen 3.183 N/A ILE 342.A N ILE 129.A O no hydrogen 2.928 N/A THR 343.A N THR 336.A OG1 no hydrogen 3.042 N/A LEU 344.A N ASP 127.A O no hydrogen 2.900 N/A GLY 345.A N ASP 127.A OD2 no hydrogen 2.817 N/A GLY 349.A N GLN 116.A O no hydrogen 2.677 N/A LEU 350.A N ASP 108.A OD1 no hydrogen 2.854 N/A GLY 351.A N PRO 348.A O no hydrogen 3.093 N/A ALA 358.A N ASP 355.A OD1 no hydrogen 3.124 N/A LEU 359.A N ASP 355.A O no hydrogen 2.741 N/A ARG 360.A N LEU 356.A O no hydrogen 2.885 N/A ALA 361.A N ALA 357.A O no hydrogen 3.208 N/A ALA 362.A N ALA 358.A O no hydrogen 2.917 N/A CYS 363.A N LEU 359.A O no hydrogen 3.098 N/A CYS 363.A N ARG 360.A O no hydrogen 2.943 N/A CYS 363.A SG ARG 14.A O no hydrogen 3.718 N/A CYS 363.A SG LEU 359.A O no hydrogen 3.515 N/A