Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ck5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N ALA 70.A O no hydrogen 3.000 N/A GLU 3.A N GLU 35.A O no hydrogen 2.675 N/A ARG 4.A N GLU 35.A O no hydrogen 3.256 N/A ARG 6.A N ARG 33.A O no hydrogen 2.863 N/A ASP 8.A N THR 31.A O no hydrogen 3.074 N/A TYR 10.A N LEU 29.A O no hydrogen 2.697 N/A ARG 11.A N LEU 344.A O no hydrogen 3.154 N/A ILE 12.A N PHE 27.A O no hydrogen 2.964 N/A THR 19.A N ILE 135.A O no hydrogen 2.813 N/A ASP 20.A N GLY 24.A O no hydrogen 3.474 N/A SER 21.A OG ALA 190.A O no hydrogen 2.609 N/A THR 22.A OG1 ASN 191.A O no hydrogen 2.871 N/A PHE 27.A N ILE 12.A O no hydrogen 3.182 N/A GLU 28.A N THR 48.A O no hydrogen 3.064 N/A LEU 29.A N TYR 10.A O no hydrogen 2.614 N/A ILE 30.A N THR 46.A O no hydrogen 2.872 N/A THR 31.A N ASP 8.A O no hydrogen 2.993 N/A VAL 32.A N GLY 44.A O no hydrogen 2.652 N/A ARG 33.A N ARG 6.A O no hydrogen 2.889 N/A ARG 33.A NH2 ASP 8.A OD2 no hydrogen 3.337 N/A ILE 34.A N GLY 42.A O no hydrogen 3.062 N/A GLU 35.A N ARG 4.A O no hydrogen 2.904 N/A ASP 36.A N ALA 40.A O no hydrogen 3.097 N/A ASP 38.A N ASP 36.A OD1 no hydrogen 2.861 N/A GLY 39.A N ASP 36.A O no hydrogen 3.268 N/A ALA 40.A N ASP 36.A OD1 no hydrogen 3.191 N/A GLY 42.A N ILE 34.A O no hydrogen 2.848 N/A LEU 43.A N ASP 107.A OD2 no hydrogen 2.563 N/A GLY 44.A N VAL 32.A O no hydrogen 2.889 N/A THR 46.A N ILE 30.A O no hydrogen 2.895 N/A THR 46.A OG1 SER 265.A O no hydrogen 2.843 N/A TYR 47.A OH ASP 263.A OD2 no hydrogen 3.076 N/A THR 48.A N GLU 28.A O no hydrogen 2.910 N/A THR 48.A OG1 GLU 28.A OE1 no hydrogen 2.967 N/A THR 48.A OG1 HIS 51.A O no hydrogen 2.894 N/A ASN 50.A N ASP 26.A O no hydrogen 3.207 N/A ASN 50.A ND2 ASP 26.A O no hydrogen 3.336 N/A HIS 51.A N VAL 49.A O no hydrogen 2.821 N/A GLY 53.A N GLU 28.A OE1 no hydrogen 2.516 N/A VAL 56.A N GLY 52.A O no hydrogen 3.176 N/A ALA 57.A N GLY 53.A O no hydrogen 3.026 N/A THR 58.A N ALA 54.A O no hydrogen 2.875 N/A THR 58.A OG1 ALA 54.A O no hydrogen 2.626 N/A ASP 60.A N ALA 57.A O no hydrogen 2.888 N/A LYS 61.A N THR 58.A O no hydrogen 2.863 N/A ARG 64.A N VAL 59.A O no hydrogen 3.078 N/A ARG 64.A NE ASP 60.A O no hydrogen 3.321 N/A ARG 64.A NH2 VAL 5.A O no hydrogen 2.505 N/A CYS 66.A N LEU 63.A O no hydrogen 2.683 N/A CYS 66.A SG SER 81.A O no hydrogen 3.962 N/A LEU 67.A N ARG 64.A O no hydrogen 2.747 N/A LEU 68.A N ARG 64.A O no hydrogen 2.935 N/A GLY 69.A N ILE 2.A O no hydrogen 3.000 N/A ALA 70.A N LEU 67.A O no hydrogen 2.892 N/A GLU 73.A N ASP 71.A OD1 no hydrogen 2.869 N/A GLN 74.A N ASP 71.A O no hydrogen 3.370 N/A ILE 78.A N GLN 74.A O no hydrogen 3.048 N/A TRP 79.A N ILE 75.A O no hydrogen 2.835 N/A TRP 79.A NE1 GLY 268.A O no hydrogen 2.853 N/A GLN 80.A N GLU 76.A O no hydrogen 3.188 N/A GLN 80.A NE2 GLU 76.A OE2 no hydrogen 3.390 N/A SER 81.A N LYS 77.A O no hydrogen 3.255 N/A SER 81.A OG LYS 77.A O no hydrogen 3.486 N/A SER 81.A OG ILE 78.A O no hydrogen 2.487 N/A TRP 83.A N GLN 80.A O no hydrogen 2.862 N/A ARG 84.A N SER 81.A O no hydrogen 2.965 N/A ARG 84.A NH1 ASP 62.A O no hydrogen 3.203 N/A HIS 86.A N TRP 83.A O no hydrogen 3.333 N/A GLY 89.A N HIS 86.A O no hydrogen 2.755 N/A THR 95.A N GLY 92.A O no hydrogen 2.907 N/A THR 95.A OG1 GLY 92.A O no hydrogen 3.042 N/A THR 95.A OG1 ASN 266.A O no hydrogen 2.533 N/A SER 96.A N HIS 93.A O no hydrogen 3.058 N/A ALA 97.A N HIS 93.A O no hydrogen 3.215 N/A ILE 98.A N ALA 94.A O no hydrogen 2.943 N/A SER 99.A N THR 95.A O no hydrogen 2.795 N/A SER 99.A OG THR 95.A O no hydrogen 2.629 N/A ALA 100.A N SER 96.A O no hydrogen 3.041 N/A VAL 101.A N ALA 97.A O no hydrogen 3.305 N/A ASP 102.A N ILE 98.A O no hydrogen 2.793 N/A ILE 103.A N SER 99.A O no hydrogen 2.858 N/A ALA 104.A N ALA 100.A O no hydrogen 3.120 N/A LEU 105.A N VAL 101.A O no hydrogen 2.924 N/A TRP 106.A N ASP 102.A O no hydrogen 3.053 N/A TRP 106.A NE1 THR 271.A OG1 no hydrogen 2.936 N/A ASP 107.A N ILE 103.A O no hydrogen 2.972 N/A LEU 108.A N ALA 104.A O no hydrogen 2.948 N/A LYS 109.A N LEU 105.A O no hydrogen 3.063 N/A LYS 109.A NZ GLU 73.A O no hydrogen 2.923 N/A LYS 109.A NZ GLU 73.A OE1 no hydrogen 2.863 N/A GLY 110.A N TRP 106.A O no hydrogen 2.835 N/A ILE 111.A N ASP 107.A O no hydrogen 2.973 N/A ARG 112.A N LEU 108.A O no hydrogen 3.031 N/A ARG 112.A NH2 ASP 38.A OD1 no hydrogen 3.196 N/A ALA 113.A N LYS 109.A O no hydrogen 3.073 N/A ARG 114.A N ILE 111.A O no hydrogen 2.902 N/A THR 115.A N GLY 110.A O no hydrogen 2.896 N/A LEU 117.A N GLY 331.A O no hydrogen 3.004 N/A TRP 118.A N HIS 297.A ND1 no hydrogen 2.958 N/A TRP 118.A NE1 ASP 328.A OD1 no hydrogen 3.238 N/A LYS 119.A N PRO 116.A O no hydrogen 3.181 N/A LEU 120.A N PRO 116.A O no hydrogen 3.021 N/A PHE 121.A N LEU 117.A O no hydrogen 2.855 N/A GLY 122.A N LYS 119.A O no hydrogen 2.880 N/A TYR 124.A N ALA 300.A O no hydrogen 2.803 N/A ASP 125.A N ALA 300.A O no hydrogen 2.874 N/A VAL 127.A N ASP 125.A OD1 no hydrogen 3.119 N/A VAL 128.A N VAL 324.A O no hydrogen 2.988 N/A VAL 130.A N GLY 322.A O no hydrogen 3.037 N/A ALA 132.A N ALA 158.A O no hydrogen 3.069 N/A GLY 134.A N LYS 160.A O no hydrogen 3.054 N/A LEU 137.A N THR 19.A O no hydrogen 3.004 N/A GLU 138.A N THR 19.A OG1 no hydrogen 3.369 N/A LEU 139.A N ASP 136.A O no hydrogen 3.131 N/A LEU 144.A N PRO 140.A O no hydrogen 2.799 N/A LYS 145.A N VAL 141.A O no hydrogen 2.990 N/A THR 146.A N ALA 142.A O no hydrogen 3.053 N/A THR 146.A OG1 ALA 142.A O no hydrogen 2.866 N/A GLN 147.A N ASP 143.A O no hydrogen 2.975 N/A ALA 148.A N LEU 144.A O no hydrogen 2.823 N/A ASP 149.A N LYS 145.A O no hydrogen 2.875 N/A ARG 150.A N THR 146.A O no hydrogen 2.998 N/A PHE 151.A N GLN 147.A O no hydrogen 3.018 N/A LEU 152.A N ALA 148.A O no hydrogen 3.127 N/A ALA 153.A N ASP 149.A O no hydrogen 2.844 N/A GLY 154.A N ARG 150.A O no hydrogen 2.712 N/A GLY 155.A N LEU 152.A O no hydrogen 2.674 N/A PHE 156.A N PHE 151.A O no hydrogen 3.082 N/A ILE 159.A N PRO 186.A O no hydrogen 2.892 N/A LYS 160.A N ALA 132.A O no hydrogen 2.975 N/A LYS 160.A NZ TYR 131.A OH no hydrogen 3.049 N/A LYS 160.A NZ ASP 189.A OD2 no hydrogen 3.343 N/A LYS 160.A NZ GLU 214.A OE1 no hydrogen 2.813 N/A LYS 160.A NZ GLU 214.A OE2 no hydrogen 3.186 N/A LYS 160.A NZ GLU 308.A OE2 no hydrogen 3.547 N/A LYS 161.A N ASP 136.A OD1 no hydrogen 3.002 N/A LYS 161.A NZ ASP 189.A OD2 no hydrogen 3.178 N/A VAL 162.A N ASP 189.A O no hydrogen 2.998 N/A GLY 163.A N ASP 170.A OD2 no hydrogen 2.586 N/A ARG 164.A N ASP 170.A OD1 no hydrogen 3.431 N/A ARG 164.A N ASP 170.A OD2 no hydrogen 3.042 N/A ARG 164.A NH1 LEU 137.A O no hydrogen 2.818 N/A LYS 168.A N ASP 166.A OD1 no hydrogen 2.751 N/A GLU 169.A N ASP 166.A O no hydrogen 2.812 N/A VAL 171.A N LEU 167.A O no hydrogen 2.954 N/A ASP 172.A N LYS 168.A O no hydrogen 3.132 N/A ARG 173.A N GLU 169.A O no hydrogen 3.107 N/A ARG 173.A NH1 LEU 139.A O no hydrogen 2.866 N/A ARG 173.A NH2 LEU 139.A O no hydrogen 2.815 N/A VAL 174.A N ASP 170.A O no hydrogen 2.836 N/A SER 175.A N VAL 171.A O no hydrogen 3.048 N/A ALA 176.A N ASP 172.A O no hydrogen 2.821 N/A LEU 177.A N ARG 173.A O no hydrogen 3.050 N/A ARG 178.A N VAL 174.A O no hydrogen 3.069 N/A ARG 178.A NE PHE 208.A O no hydrogen 2.974 N/A ARG 178.A NH1 GLY 182.A O no hydrogen 2.908 N/A ARG 178.A NH1 PHE 185.A O no hydrogen 2.669 N/A ARG 178.A NH2 PHE 185.A O no hydrogen 3.392 N/A ARG 178.A NH2 PHE 208.A O no hydrogen 3.148 N/A GLU 179.A N SER 175.A O no hydrogen 3.191 N/A GLU 179.A N ALA 176.A O no hydrogen 3.217 N/A HIS 180.A N ALA 176.A O no hydrogen 2.802 N/A HIS 180.A NE2 ASP 149.A OD1 no hydrogen 2.818 N/A LEU 181.A N LEU 177.A O no hydrogen 2.743 N/A GLY 182.A N ARG 178.A O no hydrogen 2.962 N/A PHE 185.A N GLY 182.A O no hydrogen 3.357 N/A VAL 188.A N TRP 212.A O no hydrogen 2.965 N/A ALA 190.A N GLU 214.A O no hydrogen 3.069 N/A ASN 191.A N ASP 189.A OD1 no hydrogen 2.883 N/A TRP 193.A N PRO 216.A O no hydrogen 3.042 N/A GLY 197.A N THR 194.A OG1 no hydrogen 2.945 N/A ALA 198.A N THR 194.A O no hydrogen 2.671 N/A ILE 199.A N VAL 195.A O no hydrogen 3.186 N/A ARG 200.A N ASP 196.A O no hydrogen 2.905 N/A ALA 201.A N GLY 197.A O no hydrogen 2.770 N/A ALA 202.A N ALA 198.A O no hydrogen 2.938 N/A ARG 203.A N ILE 199.A O no hydrogen 3.257 N/A ALA 204.A N ARG 200.A O no hydrogen 3.319 N/A LEU 205.A N ALA 201.A O no hydrogen 2.985 N/A ALA 206.A N ARG 203.A O no hydrogen 3.305 N/A PHE 208.A N LEU 205.A O no hydrogen 3.178 N/A ASP 209.A N ALA 206.A O no hydrogen 3.075 N/A HIS 211.A N LEU 187.A O no hydrogen 2.781 N/A ILE 213.A N THR 235.A O no hydrogen 2.968 N/A GLU 214.A N VAL 188.A O no hydrogen 2.829 N/A GLU 215.A N ALA 237.A O no hydrogen 2.853 N/A THR 217.A OG1 TRP 193.A O no hydrogen 2.912 N/A GLY 224.A N ASP 221.A OD1 no hydrogen 2.762 N/A ASN 225.A N ASP 221.A O no hydrogen 3.087 N/A ASN 225.A ND2 ILE 218.A O no hydrogen 2.974 N/A ASN 225.A ND2 ASP 221.A O no hydrogen 2.802 N/A ALA 226.A N LEU 222.A O no hydrogen 3.018 N/A ARG 227.A N VAL 223.A O no hydrogen 3.114 N/A ARG 227.A NE GLU 231.A OE2 no hydrogen 3.182 N/A ARG 227.A NH1 ASP 196.A OD1 no hydrogen 2.865 N/A ARG 227.A NH2 ASP 196.A OD1 no hydrogen 3.282 N/A ILE 228.A N GLY 224.A O no hydrogen 3.004 N/A VAL 229.A N ASN 225.A O no hydrogen 2.861 N/A ARG 230.A N ALA 226.A O no hydrogen 2.997 N/A GLU 231.A N ARG 227.A O no hydrogen 3.024 N/A SER 232.A N ILE 228.A O no hydrogen 2.996 N/A SER 232.A OG ILE 228.A O no hydrogen 2.918 N/A HIS 234.A ND1 SER 232.A O no hydrogen 2.487 N/A ILE 236.A N THR 258.A OG1 no hydrogen 2.670 N/A ALA 237.A N ILE 213.A O no hydrogen 2.908 N/A GLY 238.A N LEU 259.A O no hydrogen 3.338 N/A ASN 241.A ND2 GLU 215.A OE1 no hydrogen 2.729 N/A LEU 242.A N GLY 239.A O no hydrogen 2.985 N/A HIS 243.A N ASP 247.A OD2 no hydrogen 3.116 N/A ASP 247.A N THR 244.A OG1 no hydrogen 3.094 N/A PHE 248.A N THR 244.A O no hydrogen 3.483 N/A HIS 249.A N LEU 245.A O no hydrogen 2.920 N/A ASN 250.A N TYR 246.A O no hydrogen 2.784 N/A ALA 251.A N ASP 247.A O no hydrogen 3.028 N/A VAL 252.A N PHE 248.A O no hydrogen 2.899 N/A ARG 253.A N HIS 249.A O no hydrogen 2.989 N/A ALA 254.A N ASN 250.A O no hydrogen 2.916 N/A GLY 255.A N VAL 252.A O no hydrogen 3.254 N/A SER 256.A N ALA 251.A O no hydrogen 3.071 N/A SER 256.A OG ALA 251.A O no hydrogen 3.321 N/A THR 258.A N ILE 236.A O no hydrogen 2.825 N/A THR 258.A OG1 ILE 236.A O no hydrogen 3.394 N/A LEU 259.A N ILE 236.A O no hydrogen 3.059 N/A GLU 261.A N GLY 238.A O no hydrogen 2.786 N/A SER 265.A N ASP 263.A OD1 no hydrogen 2.930 N/A SER 265.A OG ASP 263.A OD1 no hydrogen 2.837 N/A ASN 266.A N ASP 263.A O no hydrogen 2.979 N/A ASN 266.A ND2 GLU 240.A O no hydrogen 3.125 N/A ILE 267.A N ASP 263.A O no hydrogen 2.927 N/A GLY 269.A N VAL 264.A O no hydrogen 3.030 N/A TYR 270.A OH LEU 294.A O no hydrogen 2.633 N/A THR 271.A N ASP 102.A OD2 no hydrogen 2.982 N/A THR 271.A OG1 ASP 102.A OD1 no hydrogen 2.577 N/A THR 271.A OG1 ASP 102.A OD2 no hydrogen 3.210 N/A THR 272.A OG1 ILE 267.A O no hydrogen 3.404 N/A PHE 273.A N GLY 269.A O no hydrogen 3.011 N/A ARG 274.A N TYR 270.A O no hydrogen 3.034 N/A ARG 274.A NH2 PHE 121.A O no hydrogen 2.860 N/A LYS 275.A NZ GLU 76.A OE1 no hydrogen 3.303 N/A LYS 275.A NZ GLU 76.A OE2 no hydrogen 2.856 N/A VAL 276.A N THR 272.A O no hydrogen 2.947 N/A ALA 277.A N PHE 273.A O no hydrogen 2.952 N/A ALA 278.A N ARG 274.A O no hydrogen 2.922 N/A LEU 279.A N LYS 275.A O no hydrogen 3.045 N/A ALA 280.A N VAL 276.A O no hydrogen 2.982 N/A GLU 281.A N ALA 277.A O no hydrogen 3.041 N/A ALA 282.A N ALA 278.A O no hydrogen 2.987 N/A ASN 283.A N LEU 279.A O no hydrogen 3.216 N/A ASN 283.A N ALA 280.A O no hydrogen 3.135 N/A ASN 284.A N GLU 281.A O no hydrogen 3.172 N/A LEU 286.A N HIS 304.A O no hydrogen 2.922 N/A THR 287.A N PRO 260.A O no hydrogen 3.153 N/A THR 287.A OG1 TYR 307.A O no hydrogen 2.682 N/A SER 288.A N THR 287.A OG1 no hydrogen 2.610 N/A HIS 289.A N PRO 262.A O no hydrogen 3.151 N/A GLY 290.A N GLU 308.A OE1 no hydrogen 2.792 N/A LEU 294.A N VAL 291.A O no hydrogen 2.767 N/A THR 295.A N VAL 291.A O no hydrogen 2.852 N/A THR 295.A OG1 GLY 290.A O no hydrogen 3.044 N/A THR 295.A OG1 VAL 291.A O no hydrogen 3.040 N/A VAL 296.A N HIS 292.A O no hydrogen 2.784 N/A HIS 297.A NE2 HIS 332.A O no hydrogen 2.941 N/A ALA 298.A N THR 295.A O no hydrogen 2.912 N/A LEU 299.A N THR 295.A O no hydrogen 3.203 N/A ALA 300.A N VAL 296.A O no hydrogen 3.017 N/A SER 301.A N ALA 298.A O no hydrogen 2.956 N/A SER 301.A OG HIS 297.A O no hydrogen 3.506 N/A SER 301.A OG ALA 298.A O no hydrogen 2.728 N/A HIS 304.A N HIS 304.A ND1 no hydrogen 2.739 N/A HIS 304.A NE2 ALA 277.A O no hydrogen 2.794 N/A ARG 305.A NH1 ASP 125.A O no hydrogen 3.181 N/A ARG 305.A NH1 LEU 299.A O no hydrogen 3.110 N/A THR 306.A N LEU 286.A O no hydrogen 3.000 N/A TYR 307.A N THR 306.A OG1 no hydrogen 2.665 N/A ALA 309.A N TYR 131.A O no hydrogen 3.118 N/A HIS 312.A NE2 ASP 293.A OD1 no hydrogen 2.944 N/A TYR 314.A N LEU 311.A O no hydrogen 3.037 N/A THR 320.A N CYS 323.A O no hydrogen 2.764 N/A CYS 323.A N THR 320.A O no hydrogen 2.976 N/A VAL 324.A N VAL 128.A O no hydrogen 3.059 N/A ALA 326.A N PRO 126.A O no hydrogen 2.925 N/A ARG 329.A NE GLY 333.A O no hydrogen 3.341 N/A ARG 329.A NH2 GLY 333.A O no hydrogen 2.640 N/A GLY 331.A N THR 115.A O no hydrogen 3.098 N/A HIS 332.A N ASP 107.A OD1 no hydrogen 3.154 N/A ASP 337.A N TYR 314.A O no hydrogen 2.636 N/A PHE 338.A N LEU 336.A O no hydrogen 2.862 N/A ARG 340.A N ASP 337.A OD1 no hydrogen 2.924 N/A LEU 341.A N ASP 337.A O no hydrogen 2.942 N/A GLY 342.A N PHE 338.A O no hydrogen 3.207 N/A ARG 343.A N ARG 340.A O no hydrogen 3.363 N/A LEU 344.A N LEU 341.A O no hydrogen 2.586 N/A ALA 345.A N GLY 342.A O no hydrogen 3.209 N/A VAL 346.A N LEU 9.A O no hydrogen 3.002 N/A