Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rac_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 8.A NE MET 12.A O no hydrogen 2.592 N/A ARG 8.A NE GLN 13.A OE1 no hydrogen 3.328 N/A ARG 8.A NH2 GLN 13.A OE1 no hydrogen 2.775 N/A MET 12.A N PRO 9.A O no hydrogen 3.176 N/A PHE 19.A N TYR 16.A O no hydrogen 3.003 N/A ARG 22.A N ASP 18.A O no hydrogen 3.150 N/A ARG 22.A NE ASP 18.A O no hydrogen 3.362 N/A ARG 22.A NE ASP 18.A OD2 no hydrogen 3.011 N/A ARG 23.A N PHE 19.A O no hydrogen 2.981 N/A ARG 23.A NH1 GLU 328.A OE2 no hydrogen 2.893 N/A ARG 24.A N ALA 20.A O no hydrogen 2.976 N/A ALA 25.A N LYS 21.A O no hydrogen 2.959 N/A VAL 26.A N ARG 22.A O no hydrogen 2.841 N/A GLU 27.A N ARG 23.A O no hydrogen 2.849 N/A THR 28.A N ARG 24.A O no hydrogen 2.922 N/A THR 28.A OG1 ARG 24.A O no hydrogen 2.980 N/A ARG 29.A N.A ALA 25.A O no hydrogen 3.092 N/A ARG 29.A N.B ALA 25.A O no hydrogen 3.053 N/A ARG 29.A NH1.B ALA 148.A O no hydrogen 2.710 N/A LEU 30.A N VAL 26.A O no hydrogen 3.086 N/A LEU 31.A N GLU 27.A O no hydrogen 2.758 N/A SER 32.A N THR 28.A O no hydrogen 2.740 N/A SER 32.A OG THR 28.A O no hydrogen 2.824 N/A PHE 33.A N ARG 29.A O.A no hydrogen 3.207 N/A PHE 33.A N ARG 29.A O.B no hydrogen 3.056 N/A VAL 34.A N LEU 30.A O no hydrogen 3.131 N/A GLU 35.A N LEU 31.A O no hydrogen 2.921 N/A ASP 36.A N SER 32.A O no hydrogen 3.122 N/A ALA 37.A N PHE 33.A O no hydrogen 3.119 N/A ALA 37.A N VAL 34.A O no hydrogen 3.158 N/A GLY 38.A N GLU 35.A O no hydrogen 2.999 N/A TYR 39.A N GLU 35.A O no hydrogen 3.333 N/A GLU 40.A N ARG 102.A O no hydrogen 2.942 N/A VAL 42.A N CYS 104.A O no hydrogen 2.867 N/A THR 43.A OG1 GLU 107.A OE2 no hydrogen 2.702 N/A GLU 48.A N ALA 77.A O no hydrogen 2.898 N/A VAL 50.A N ALA 75.A O no hydrogen 2.848 N/A LEU 53.A N TYR 49.A O no hydrogen 3.121 N/A LEU 54.A N VAL 50.A O no hydrogen 2.712 N/A ARG 55.A N ASP 51.A O no hydrogen 3.160 N/A ARG 55.A N THR 52.A O no hydrogen 3.237 N/A ARG 55.A NH1 GLN 313.A O no hydrogen 2.957 N/A ALA 56.A N LEU 53.A O no hydrogen 3.005 N/A ARG 57.A N LEU 54.A O no hydrogen 2.797 N/A ARG 57.A NH1 SER 62.A O no hydrogen 2.751 N/A ARG 57.A NH2 GLU 281.A O no hydrogen 2.933 N/A SER 58.A N ASP 283.A OD1 no hydrogen 3.114 N/A SER 61.A N SER 58.A O no hydrogen 3.000 N/A SER 61.A OG SER 58.A O no hydrogen 3.555 N/A SER 61.A OG ASP 283.A OD1 no hydrogen 2.726 N/A SER 62.A OG ASP 64.A OD2 no hydrogen 2.967 N/A LEU 68.A N VAL 76.A O no hydrogen 2.875 N/A GLY 72.A N ASP 70.A OD1 no hydrogen 3.223 N/A ALA 77.A N GLU 48.A O no hydrogen 2.933 N/A LEU 78.A N ILE 66.A O no hydrogen 2.932 N/A ARG 79.A N LEU 46.A O no hydrogen 2.995 N/A ARG 79.A NE ARG 108.A O no hydrogen 2.801 N/A ARG 79.A NH1 SER 44.A O no hydrogen 3.127 N/A ARG 79.A NH2 ARG 108.A O no hydrogen 2.999 N/A THR 83.A OG1 GLU 81.A OE2 no hydrogen 3.531 N/A THR 83.A OG1 GLU 123.A OE2 no hydrogen 2.864 N/A SER 85.A OG GLU 48.A OE2 no hydrogen 2.428 N/A ILE 86.A N MET 82.A O no hydrogen 3.032 N/A ALA 87.A N THR 83.A O no hydrogen 2.955 N/A ARG 88.A N PRO 84.A O no hydrogen 2.870 N/A ARG 88.A NE GLU 48.A OE1 no hydrogen 3.194 N/A ARG 88.A NE GLU 48.A OE2 no hydrogen 3.488 N/A ARG 88.A NH2 GLU 48.A OE2 no hydrogen 3.001 N/A MET 89.A N SER 85.A O no hydrogen 2.809 N/A ALA 90.A N ILE 86.A O no hydrogen 2.777 N/A ALA 90.A N ALA 87.A O no hydrogen 3.269 N/A ALA 91.A N ALA 87.A O no hydrogen 3.021 N/A VAL 94.A N ALA 90.A O no hydrogen 2.949 N/A ALA 95.A N ALA 91.A O no hydrogen 2.706 N/A ALA 96.A N PRO 92.A O no hydrogen 2.992 N/A ALA 96.A N ARG 93.A O no hydrogen 3.102 N/A GLY 97.A N VAL 94.A O no hydrogen 3.048 N/A ARG 98.A N ARG 93.A O no hydrogen 2.986 N/A THR 99.A N GLY 97.A O no hydrogen 2.986 N/A ARG 102.A NE GLY 38.A O no hydrogen 3.031 N/A ARG 102.A NH2 ALA 37.A O no hydrogen 3.167 N/A TRP 103.A N GLU 123.A O no hydrogen 3.055 N/A CYS 104.A N GLU 40.A O no hydrogen 2.933 N/A CYS 104.A SG TYR 39.A O no hydrogen 3.577 N/A TYR 105.A N GLY 121.A O no hydrogen 2.955 N/A GLU 107.A N GLN 119.A O no hydrogen 2.950 N/A ARG 108.A NE THR 118.A OG1 no hydrogen 3.277 N/A ARG 108.A NH2 THR 118.A OG1 no hydrogen 3.401 N/A VAL 109.A N SER 117.A O no hydrogen 2.728 N/A TYR 110.A N ARG 79.A O no hydrogen 3.097 N/A TYR 110.A OH GLU 116.A OE2 no hydrogen 2.705 N/A ARG 111.A N ALA 115.A O no hydrogen 3.090 N/A ARG 112.A N ASP 64.A O no hydrogen 2.681 N/A ALA 115.A N ARG 111.A O no hydrogen 2.837 N/A SER 117.A N VAL 109.A O no hydrogen 2.982 N/A THR 118.A N GLU 328.A OE1 no hydrogen 2.943 N/A THR 118.A OG1 GLU 328.A OE2 no hydrogen 2.790 N/A GLN 119.A N GLU 107.A O no hydrogen 2.915 N/A GLN 119.A NE2 GLU 326.A OE2 no hydrogen 3.008 N/A VAL 120.A N PHE 325.A O no hydrogen 3.227 N/A GLY 121.A N TYR 105.A O no hydrogen 3.071 N/A ILE 122.A N PHE 323.A O no hydrogen 3.013 N/A GLU 123.A N TRP 103.A O no hydrogen 2.821 N/A ARG 124.A N VAL 321.A O no hydrogen 2.690 N/A ARG 124.A NE GLU 127.A OE1 no hydrogen 2.833 N/A ARG 124.A NH1 ASP 136.A OD2 no hydrogen 2.668 N/A ARG 124.A NH2 GLU 127.A OE1 no hydrogen 3.051 N/A ARG 124.A NH2 GLU 127.A OE2 no hydrogen 2.489 N/A ILE 125.A N ILE 101.A O no hydrogen 3.070 N/A VAL 133.A N SER 130.A OG no hydrogen 3.137 N/A ASP 134.A N SER 130.A O no hydrogen 3.007 N/A MET 135.A N VAL 131.A O no hydrogen 2.757 N/A ASP 136.A N ASP 132.A O no hydrogen 3.026 N/A VAL 137.A N VAL 133.A O no hydrogen 3.039 N/A LEU 138.A N ASP 134.A O no hydrogen 3.053 N/A ARG 139.A N MET 135.A O no hydrogen 2.924 N/A LEU 140.A N ASP 136.A O no hydrogen 2.968 N/A LEU 141.A N VAL 137.A O no hydrogen 2.933 N/A HIS 142.A N LEU 138.A O no hydrogen 2.850 N/A GLU 143.A N ARG 139.A O no hydrogen 2.993 N/A ALA 144.A N LEU 140.A O no hydrogen 2.836 N/A SER 145.A N LEU 141.A O no hydrogen 3.089 N/A ALA 146.A N HIS 142.A O no hydrogen 3.224 N/A ALA 147.A N GLU 143.A O no hydrogen 2.881 N/A ALA 148.A N ALA 144.A O no hydrogen 2.958 N/A GLY 149.A N ALA 146.A O no hydrogen 2.886 N/A VAL 150.A N SER 145.A O no hydrogen 3.321 N/A ARG 151.A N GLN 337.A OE1 no hydrogen 3.018 N/A ARG 154.A N PHE 293.A O no hydrogen 2.840 N/A ILE 155.A N VAL 271.A O no hydrogen 2.678 N/A VAL 156.A N GLU 291.A O no hydrogen 2.733 N/A VAL 157.A N THR 273.A O no hydrogen 2.778 N/A SER 158.A N VAL 289.A O no hydrogen 2.934 N/A ALA 160.A N GLY 287.A O no hydrogen 2.859 N/A ARG 161.A N HIS 159.A ND1 no hydrogen 3.016 N/A LEU 162.A N HIS 159.A O no hydrogen 3.172 N/A ARG 165.A N ARG 161.A O no hydrogen 3.028 N/A ARG 165.A NE ASP 247.A OD2 no hydrogen 2.687 N/A ARG 165.A NH1 ASP 168.A OD2 no hydrogen 2.916 N/A ARG 165.A NH2 ASP 247.A OD2 no hydrogen 2.891 N/A LEU 166.A N LEU 162.A O no hydrogen 3.004 N/A LEU 167.A N VAL 163.A O no hydrogen 2.898 N/A ASP 168.A N PRO 164.A O no hydrogen 3.103 N/A ALA 169.A N ARG 165.A O no hydrogen 2.634 N/A LEU 170.A N LEU 166.A O no hydrogen 2.919 N/A LEU 170.A N LEU 167.A O no hydrogen 3.285 N/A GLY 171.A N ASP 168.A O no hydrogen 2.875 N/A ILE 172.A N LEU 167.A O no hydrogen 2.968 N/A LEU 176.A N SER 173.A OG no hydrogen 3.140 N/A SER 177.A N SER 173.A O no hydrogen 2.794 N/A SER 177.A OG ILE 172.A O no hydrogen 3.541 N/A SER 177.A OG SER 173.A O no hydrogen 3.003 N/A ARG 178.A N ALA 174.A O no hydrogen 3.165 N/A ALA 179.A N SER 175.A O no hydrogen 3.094 N/A PHE 180.A N LEU 176.A O no hydrogen 2.848 N/A LEU 181.A N SER 177.A O no hydrogen 2.973 N/A ALA 182.A N ARG 178.A O no hydrogen 2.809 N/A CYS 183.A N ALA 179.A O no hydrogen 2.913 N/A CYS 183.A SG ALA 179.A O no hydrogen 3.277 N/A LEU 184.A N PHE 180.A O no hydrogen 3.047 N/A THR 185.A N LEU 181.A O no hydrogen 2.943 N/A THR 185.A OG1 LEU 181.A O no hydrogen 3.375 N/A THR 185.A OG1 HIS 279.A O no hydrogen 2.715 N/A SER 186.A N ALA 182.A O no hydrogen 2.939 N/A SER 186.A OG ALA 182.A O no hydrogen 3.218 N/A SER 186.A OG CYS 183.A O no hydrogen 3.488 N/A ASN 188.A N CYS 183.A O no hydrogen 3.005 N/A TYR 189.A N GLY 187.A O no hydrogen 2.945 N/A GLN 191.A N ASN 188.A OD1 no hydrogen 2.973 N/A PHE 192.A N ASN 188.A O no hydrogen 3.084 N/A ARG 193.A N TYR 189.A O no hydrogen 2.964 N/A ARG 193.A NH1 ASP 205.A OD2 no hydrogen 2.458 N/A GLU 194.A N VAL 190.A O no hydrogen 2.989 N/A LEU 195.A N GLN 191.A O no hydrogen 2.910 N/A TRP 196.A N PHE 192.A O no hydrogen 2.902 N/A TRP 196.A NE1 VAL 204.A O no hydrogen 2.674 N/A GLN 197.A N ARG 193.A O no hydrogen 2.986 N/A LEU 198.A N GLU 194.A O no hydrogen 2.862 N/A HIS 199.A N LEU 195.A O no hydrogen 3.038 N/A ALA 200.A N TRP 196.A O no hydrogen 3.216 N/A ALA 208.A N ASP 205.A OD1 no hydrogen 3.325 N/A ASN 209.A N ASP 205.A O no hydrogen 3.092 N/A LEU 210.A N LEU 206.A O no hydrogen 2.899 N/A LEU 211.A N LEU 207.A O no hydrogen 2.973 N/A THR 212.A N ASN 209.A O no hydrogen 2.968 N/A THR 212.A OG1 ALA 208.A O no hydrogen 3.006 N/A THR 212.A OG1 ASN 209.A O no hydrogen 3.554 N/A TRP 213.A N ASN 209.A O no hydrogen 2.849 N/A TRP 213.A NE1 GLU 231.A OE1 no hydrogen 2.846 N/A SER 214.A N SER 228.A OG no hydrogen 3.177 N/A ALA 216.A N SER 214.A OG no hydrogen 3.038 N/A ALA 221.A N ASP 219.A OD1 no hydrogen 3.024 N/A LYS 222.A N ASP 219.A O no hydrogen 3.204 N/A LYS 222.A NZ LEU 211.A O no hydrogen 2.815 N/A LYS 222.A NZ PHE 274.A O no hydrogen 3.201 N/A ARG 223.A N THR 212.A O no hydrogen 2.876 N/A ARG 223.A NH1 ASN 209.A OD1 no hydrogen 3.258 N/A ARG 225.A NH1 GLU 260.A OE2 no hydrogen 2.972 N/A ALA 227.A N SER 224.A OG no hydrogen 2.938 N/A SER 228.A N SER 224.A O no hydrogen 2.991 N/A SER 228.A OG ARG 223.A O no hydrogen 3.292 N/A SER 228.A OG SER 224.A O no hydrogen 2.825 N/A ASP 229.A N ARG 225.A O no hydrogen 2.869 N/A ARG 230.A N GLU 226.A O no hydrogen 3.071 N/A GLU 231.A N ALA 227.A O no hydrogen 3.014 N/A LEU 232.A N SER 228.A O no hydrogen 2.911 N/A GLU 233.A N ASP 229.A O no hydrogen 2.842 N/A ALA 234.A N ARG 230.A O no hydrogen 3.078 N/A LEU 235.A N GLU 231.A O no hydrogen 3.121 N/A LEU 236.A N LEU 232.A O no hydrogen 2.946 N/A ARG 237.A N GLU 233.A O no hydrogen 2.824 N/A ASP 238.A N LEU 235.A O no hydrogen 3.331 N/A ALA 239.A N LEU 236.A O no hydrogen 2.767 N/A VAL 240.A N ALA 169.A O no hydrogen 2.819 N/A ALA 244.A N ASP 241.A OD2 no hydrogen 2.839 N/A ALA 245.A N ASP 241.A O no hydrogen 2.968 N/A ALA 246.A N PRO 242.A O no hydrogen 2.972 N/A ASP 247.A N ARG 243.A O no hydrogen 2.926 N/A VAL 248.A N ALA 244.A O no hydrogen 2.925 N/A ARG 249.A N ALA 245.A O no hydrogen 2.870 N/A ARG 249.A NE GLU 233.A OE1 no hydrogen 3.379 N/A ARG 249.A NE GLU 233.A OE2 no hydrogen 3.256 N/A ARG 249.A NH2 GLU 233.A OE2 no hydrogen 3.524 N/A ASP 250.A N ALA 246.A O no hydrogen 2.724 N/A ALA 251.A N ASP 247.A O no hydrogen 2.919 N/A TRP 252.A N VAL 248.A O no hydrogen 2.910 N/A ARG 253.A N ARG 249.A O no hydrogen 2.914 N/A TYR 254.A N ASP 250.A O no hydrogen 3.044 N/A TYR 254.A OH ASP 134.A OD2 no hydrogen 2.752 N/A LEU 255.A N ALA 251.A O no hydrogen 3.067 N/A CYS 256.A N TRP 252.A O no hydrogen 2.972 N/A CYS 256.A SG TRP 252.A O no hydrogen 3.332 N/A ARG 257.A N ARG 253.A O no hydrogen 3.038 N/A LEU 258.A N TYR 254.A O no hydrogen 2.809 N/A ALA 259.A N LEU 255.A O no hydrogen 2.784 N/A GLU 260.A N CYS 256.A O no hydrogen 2.955 N/A ALA 261.A N ARG 257.A O no hydrogen 3.022 N/A LEU 262.A N LEU 258.A O no hydrogen 2.927 N/A HIS 263.A N ALA 259.A O no hydrogen 3.044 N/A ASP 264.A N GLU 260.A O no hydrogen 2.841 N/A SER 265.A N ALA 261.A O no hydrogen 2.849 N/A GLY 266.A N LEU 262.A O no hydrogen 2.946 N/A SER 269.A OG ARG 218.A O no hydrogen 3.126 N/A VAL 272.A N ALA 268.A O no hydrogen 3.110 N/A THR 273.A N ILE 155.A O no hydrogen 2.816 N/A THR 273.A OG1 PHE 274.A O no hydrogen 3.455 N/A ASP 275.A N VAL 157.A O no hydrogen 2.949 N/A ALA 277.A N ASP 275.A OD1 no hydrogen 2.896 N/A LEU 278.A N ASP 275.A O no hydrogen 2.930 N/A ARG 280.A NE TYR 285.A OH no hydrogen 3.353 N/A ARG 280.A NH1 GLU 291.A OE2 no hydrogen 3.322 N/A ARG 280.A NH2 TYR 285.A OH no hydrogen 3.484 N/A TYR 284.A OH GLU 81.A OE2 no hydrogen 2.657 N/A THR 286.A N ARG 306.A O no hydrogen 2.787 N/A GLY 287.A N ARG 306.A O no hydrogen 3.373 N/A VAL 289.A N SER 158.A O no hydrogen 2.909 N/A PHE 290.A N GLY 304.A O no hydrogen 2.996 N/A GLU 291.A N VAL 156.A O no hydrogen 3.025 N/A MET 292.A N ALA 302.A O no hydrogen 2.770 N/A PHE 293.A N ARG 154.A O no hydrogen 2.902 N/A ILE 301.A N MET 292.A O no hydrogen 2.774 N/A GLN 303.A N ALA 324.A O no hydrogen 3.152 N/A GLN 303.A NE2 GLU 326.A OE2 no hydrogen 3.174 N/A GLY 304.A N PHE 290.A O no hydrogen 3.055 N/A GLY 305.A N GLY 322.A O no hydrogen 3.036 N/A ARG 306.A N LEU 288.A O no hydrogen 2.748 N/A ARG 306.A NE ASP 134.A OD1 no hydrogen 3.093 N/A ARG 306.A NH1 ASP 308.A OD2 no hydrogen 2.980 N/A ARG 306.A NH2 ASP 134.A OD1 no hydrogen 2.870 N/A TYR 307.A N ALA 320.A O no hydrogen 2.901 N/A TYR 307.A OH GLU 123.A OE1 no hydrogen 2.361 N/A ASP 308.A N THR 286.A OG1 no hydrogen 2.926 N/A GLN 313.A N LEU 310.A O no hydrogen 2.937 N/A PHE 314.A N LEU 311.A O no hydrogen 2.774 N/A GLY 315.A N ALA 312.A O no hydrogen 3.428 N/A ALA 316.A N LEU 311.A O no hydrogen 2.982 N/A ALA 320.A N ASP 308.A OD2 no hydrogen 2.904 N/A VAL 321.A N ARG 124.A O no hydrogen 2.898 N/A GLY 322.A N GLY 305.A O no hydrogen 3.303 N/A PHE 323.A N ILE 122.A O no hydrogen 3.248 N/A ALA 324.A N GLN 303.A O no hydrogen 2.858 N/A PHE 325.A N VAL 120.A O no hydrogen 2.744 N/A GLU 326.A N ILE 301.A O no hydrogen 2.733 N/A VAL 327.A N THR 118.A O no hydrogen 2.918 N/A GLU 328.A N GLU 328.A OE1 no hydrogen 2.689 N/A ARG 329.A NH1 PRO 300.A O no hydrogen 2.664 N/A VAL 330.A N GLU 326.A O no hydrogen 3.086 N/A MET 331.A N VAL 327.A O no hydrogen 2.855 N/A ALA 332.A N GLU 328.A O no hydrogen 3.150 N/A VAL 333.A N ARG 329.A O no hydrogen 3.080 N/A LEU 334.A N VAL 330.A O no hydrogen 3.021 N/A GLU 335.A N MET 331.A O no hydrogen 3.012 N/A ALA 336.A N ALA 332.A O no hydrogen 3.034 N/A GLN 337.A N VAL 333.A O no hydrogen 3.090 N/A GLN 337.A NE2 GLY 149.A O no hydrogen 3.141 N/A GLU 338.A N GLU 335.A O no hydrogen 3.051 N/A GLU 339.A N GLU 335.A O no hydrogen 3.164 N/A