Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cpd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 16.A OE2 no hydrogen 2.917 N/A MET 1.A N VAL 17.A O no hydrogen 2.968 N/A ARG 2.A N GLU 124.A OE2 no hydrogen 2.747 N/A ARG 2.A NH1 GLU 16.A OE1 no hydrogen 2.892 N/A ALA 3.A N LYS 15.A O no hydrogen 3.230 N/A VAL 4.A N GLN 122.A O no hydrogen 2.833 N/A VAL 5.A N ALA 13.A O no hydrogen 2.799 N/A PHE 6.A N SER 55.A O no hydrogen 3.044 N/A GLU 7.A N ARG 11.A O no hydrogen 3.277 N/A LYS 9.A NZ GLU 10.A OE2 no hydrogen 2.930 N/A GLU 10.A N TYR 45.A O no hydrogen 2.781 N/A ARG 11.A N ASN 8.A O no hydrogen 2.828 N/A ALA 13.A N VAL 5.A O no hydrogen 3.064 N/A LYS 15.A N ALA 3.A O no hydrogen 3.041 N/A VAL 17.A N MET 1.A O no hydrogen 2.866 N/A GLN 23.A N ASP 27.A OD2 no hydrogen 3.199 N/A LEU 26.A N HIS 24.A ND1 no hydrogen 3.363 N/A ASP 27.A N HIS 24.A O no hydrogen 3.048 N/A ALA 28.A N VAL 128.A O no hydrogen 3.031 N/A LEU 29.A N ALA 67.A O no hydrogen 2.869 N/A VAL 30.A N LEU 126.A O no hydrogen 2.876 N/A ARG 31.A N GLN 64.A O no hydrogen 2.580 N/A VAL 32.A N GLU 124.A O no hydrogen 2.939 N/A HIS 33.A N VAL 62.A O no hydrogen 2.934 N/A LEU 34.A N VAL 62.A O no hydrogen 3.187 N/A ALA 35.A N LEU 343.A O no hydrogen 3.059 N/A GLY 36.A N GLU 60.A O no hydrogen 3.033 N/A ILE 37.A N VAL 341.A O no hydrogen 3.184 N/A CYS 38.A N ASP 41.A OD2 no hydrogen 2.842 N/A CYS 38.A SG SER 40.A OG no hydrogen 3.635 N/A CYS 38.A SG HIS 59.A NE2 no hydrogen 3.646 N/A CYS 38.A SG ASP 152.A OD2 no hydrogen 3.563 N/A ASP 41.A N CYS 38.A O no hydrogen 2.867 N/A LEU 42.A N GLY 39.A O no hydrogen 2.942 N/A HIS 43.A N SER 40.A O no hydrogen 3.145 N/A TYR 45.A N ASP 41.A O no hydrogen 2.972 N/A HIS 46.A N LEU 42.A O no hydrogen 2.962 N/A HIS 46.A NE2 ASP 334.A OD2 no hydrogen 3.064 N/A GLY 47.A N LEU 44.A O no hydrogen 2.811 N/A LYS 48.A N HIS 43.A O no hydrogen 2.897 N/A GLY 54.A N PHE 6.A O no hydrogen 2.896 N/A SER 55.A N LEU 52.A O no hydrogen 3.205 N/A SER 55.A OG LEU 52.A O no hydrogen 2.545 N/A LEU 57.A N VAL 4.A O no hydrogen 3.142 N/A VAL 62.A N LEU 34.A O no hydrogen 3.113 N/A GLY 63.A N VAL 81.A O no hydrogen 3.088 N/A GLN 64.A N ARG 31.A O no hydrogen 2.978 N/A GLN 64.A NE2 GLY 78.A O no hydrogen 3.069 N/A VAL 65.A N ASP 79.A O no hydrogen 2.906 N/A GLU 66.A N LEU 29.A O no hydrogen 2.760 N/A GLY 69.A N ASP 27.A O no hydrogen 2.828 N/A GLY 71.A N PRO 25.A O no hydrogen 2.738 N/A ILE 72.A N GLY 69.A O no hydrogen 3.074 N/A GLN 76.A N ASP 79.A OD2 no hydrogen 3.125 N/A ASP 79.A N GLN 76.A O no hydrogen 3.252 N/A VAL 81.A N GLY 63.A O no hydrogen 2.805 N/A VAL 82.A N ARG 136.A O no hydrogen 2.955 N/A PHE 85.A N GLY 151.A O no hydrogen 2.969 N/A ILE 87.A N GLY 107.A O no hydrogen 2.802 N/A ARG 96.A N CYS 92.A O no hydrogen 2.934 N/A ARG 97.A N PRO 93.A O no hydrogen 3.168 N/A HIS 98.A N CYS 95.A O no hydrogen 2.906 N/A GLN 99.A N TYR 94.A O no hydrogen 2.932 N/A TYR 100.A N ASN 294.A OD1 no hydrogen 3.135 N/A LEU 102.A N GLN 99.A O no hydrogen 2.890 N/A CYS 103.A N TYR 100.A O no hydrogen 3.223 N/A GLY 106.A N CYS 103.A O no hydrogen 2.992 N/A VAL 108.A N PHE 115.A O no hydrogen 2.950 N/A TYR 109.A N PHE 85.A O no hydrogen 3.429 N/A GLY 110.A N LEU 118.A O no hydrogen 2.948 N/A TYR 111.A OH SER 40.A O no hydrogen 2.830 N/A PHE 115.A N GLY 112.A O no hydrogen 3.189 N/A ASN 117.A N GLY 112.A O no hydrogen 3.247 N/A GLY 120.A N VAL 56.A O no hydrogen 2.838 N/A ALA 121.A N GLY 58.A O no hydrogen 2.694 N/A GLN 122.A N LEU 57.A O no hydrogen 2.903 N/A GLN 122.A NE2 GLY 36.A O no hydrogen 2.961 N/A ALA 123.A N ALA 121.A O no hydrogen 2.783 N/A GLU 124.A N ARG 2.A O no hydrogen 3.244 N/A LEU 126.A N VAL 30.A O no hydrogen 2.901 N/A ARG 127.A NH1 ASP 27.A OD1 no hydrogen 3.532 N/A ARG 127.A NH1 ASP 27.A OD2 no hydrogen 3.067 N/A VAL 128.A N ALA 28.A O no hydrogen 2.834 N/A SER 131.A N LEU 26.A O no hydrogen 2.833 N/A SER 131.A OG LEU 26.A O no hydrogen 3.014 N/A VAL 133.A N PHE 130.A O no hydrogen 2.655 N/A ASN 134.A N PHE 130.A O no hydrogen 2.922 N/A ASN 134.A ND2 HIS 296.A NE2 no hydrogen 2.996 N/A LEU 135.A N SER 131.A O no hydrogen 3.191 N/A ARG 136.A N VAL 82.A O no hydrogen 2.718 N/A ARG 136.A NE ASP 300.A OD1 no hydrogen 2.813 N/A ARG 136.A NE ASP 300.A OD2 no hydrogen 3.500 N/A ARG 136.A NH1 VAL 133.A O no hydrogen 3.201 N/A ARG 136.A NH1 LEU 135.A O no hydrogen 3.045 N/A ARG 136.A NH2 ASP 300.A OD2 no hydrogen 3.289 N/A LEU 138.A N TRP 80.A O no hydrogen 2.936 N/A GLU 145.A N GLU 145.A OE1 no hydrogen 2.657 N/A ARG 146.A N SER 143.A O no hydrogen 2.890 N/A ARG 146.A N SER 143.A OG no hydrogen 3.193 N/A ARG 146.A NE LEU 306.A O no hydrogen 3.163 N/A ARG 146.A NH1 GLU 314.A OE1 no hydrogen 2.898 N/A ALA 147.A N SER 143.A O no hydrogen 2.839 N/A ILE 148.A N PRO 144.A O no hydrogen 3.038 N/A PHE 149.A N ARG 146.A O no hydrogen 3.456 N/A ALA 150.A N ALA 147.A O no hydrogen 2.957 N/A GLY 151.A N ILE 148.A O no hydrogen 3.147 N/A ASP 152.A N PHE 149.A O no hydrogen 3.163 N/A LEU 154.A N PHE 149.A O no hydrogen 3.149 N/A SER 155.A OG ALA 150.A O no hydrogen 2.469 N/A THR 156.A N ASP 152.A O no hydrogen 2.980 N/A THR 156.A OG1 ASP 152.A O no hydrogen 2.883 N/A ALA 157.A N ILE 153.A O no hydrogen 3.218 N/A TYR 158.A N LEU 154.A O no hydrogen 2.846 N/A GLY 159.A N SER 155.A O no hydrogen 2.875 N/A GLY 160.A N THR 156.A O no hydrogen 2.924 N/A LEU 161.A N ALA 157.A O no hydrogen 3.024 N/A ILE 162.A N TYR 158.A O no hydrogen 2.796 N/A GLN 163.A N GLY 159.A O no hydrogen 2.882 N/A GLN 163.A NE2 TYR 298.A OH no hydrogen 2.595 N/A GLY 164.A N GLY 160.A O no hydrogen 2.992 N/A GLN 165.A N ILE 162.A O no hydrogen 2.935 N/A LEU 166.A N LEU 161.A O no hydrogen 3.173 N/A ARG 167.A N ASP 170.A OD2 no hydrogen 2.856 N/A GLY 169.A N GLY 192.A O no hydrogen 2.846 N/A ASP 170.A N ARG 167.A O no hydrogen 3.035 N/A SER 171.A N ASP 238.A OD2 no hydrogen 2.857 N/A SER 171.A OG ASP 238.A OD2 no hydrogen 3.195 N/A VAL 172.A N LYS 195.A O no hydrogen 2.922 N/A ALA 173.A N LEU 239.A O no hydrogen 2.886 N/A VAL 174.A N LEU 197.A O no hydrogen 2.734 N/A ILE 175.A N LEU 241.A O no hydrogen 2.929 N/A GLY 176.A N ILE 199.A O no hydrogen 2.758 N/A ALA 177.A N ASP 200.A OD2 no hydrogen 2.620 N/A LEU 182.A N GLY 178.A O no hydrogen 2.870 N/A MET 183.A N PRO 179.A O no hydrogen 3.001 N/A ALA 184.A N VAL 180.A O no hydrogen 2.996 N/A ILE 185.A N GLY 181.A O no hydrogen 2.878 N/A GLU 186.A N LEU 182.A O no hydrogen 3.197 N/A VAL 187.A N MET 183.A O no hydrogen 2.898 N/A ALA 188.A N ALA 184.A O no hydrogen 2.753 N/A GLN 189.A N ILE 185.A O no hydrogen 3.090 N/A VAL 190.A N GLU 186.A O no hydrogen 3.222 N/A LEU 191.A N VAL 187.A O no hydrogen 2.877 N/A LEU 191.A N ALA 188.A O no hydrogen 3.144 N/A GLY 192.A N GLN 189.A O no hydrogen 2.965 N/A ALA 193.A N ALA 188.A O no hydrogen 3.134 N/A SER 194.A N ASP 170.A O no hydrogen 2.920 N/A SER 194.A OG GLY 169.A O no hydrogen 2.580 N/A SER 194.A OG ASP 170.A O no hydrogen 3.379 N/A LYS 195.A NZ GLU 231.A O no hydrogen 2.874 N/A LYS 195.A NZ GLU 231.A OE1 no hydrogen 2.796 N/A LEU 197.A N VAL 172.A O no hydrogen 2.873 N/A ALA 198.A N ILE 215.A O no hydrogen 3.016 N/A ILE 199.A N VAL 174.A O no hydrogen 2.994 N/A ASP 200.A N ILE 217.A O no hydrogen 3.258 N/A ARG 201.A N ASP 200.A OD1 no hydrogen 2.463 N/A ARG 205.A N ILE 202.A O no hydrogen 2.887 N/A ARG 205.A NH2 ALA 338.A O no hydrogen 3.416 N/A LEU 206.A N ILE 202.A O no hydrogen 2.982 N/A GLU 207.A N PRO 203.A O no hydrogen 2.777 N/A ARG 208.A N GLU 204.A O no hydrogen 3.206 N/A ALA 209.A N ARG 205.A O no hydrogen 2.792 N/A ALA 210.A N LEU 206.A O no hydrogen 2.857 N/A SER 211.A N GLU 207.A O no hydrogen 3.019 N/A SER 211.A OG GLU 207.A O no hydrogen 3.272 N/A SER 211.A OG ARG 208.A O no hydrogen 2.520 N/A LEU 212.A N ARG 208.A O no hydrogen 3.253 N/A LEU 212.A N ALA 209.A O no hydrogen 3.116 N/A GLY 213.A N ALA 210.A O no hydrogen 3.014 N/A ALA 214.A N ALA 209.A O no hydrogen 3.216 N/A ILE 215.A N ILE 196.A O no hydrogen 2.952 N/A ILE 217.A N ALA 198.A O no hydrogen 2.823 N/A ALA 219.A N ASP 200.A O no hydrogen 2.946 N/A GLU 220.A N ASN 218.A OD1 no hydrogen 3.119 N/A GLN 221.A N ASN 218.A O no hydrogen 3.178 N/A GLU 222.A N ASN 218.A O no hydrogen 3.111 N/A VAL 225.A N ASN 223.A OD1 no hydrogen 3.233 N/A ARG 227.A N ASN 223.A O no hydrogen 3.298 N/A VAL 228.A N PRO 224.A O no hydrogen 2.743 N/A ARG 229.A N VAL 225.A O no hydrogen 3.013 N/A ARG 229.A NH2 GLU 255.A O no hydrogen 2.851 N/A SER 230.A N ARG 226.A O no hydrogen 3.122 N/A SER 230.A OG ARG 226.A O no hydrogen 2.902 N/A SER 230.A OG ARG 227.A O no hydrogen 2.851 N/A GLU 231.A N ARG 227.A O no hydrogen 3.069 N/A THR 232.A N ARG 229.A O no hydrogen 2.948 N/A THR 232.A OG1 VAL 228.A O no hydrogen 2.564 N/A THR 232.A OG1 ARG 229.A O no hydrogen 3.061 N/A ASP 234.A N ARG 229.A O no hydrogen 2.620 N/A GLU 235.A N THR 232.A O no hydrogen 3.111 N/A ASP 238.A N SER 171.A OG no hydrogen 3.191 N/A LEU 239.A N SER 171.A O no hydrogen 3.205 N/A VAL 240.A N ARG 262.A O no hydrogen 2.983 N/A LEU 241.A N ALA 173.A O no hydrogen 2.827 N/A GLU 242.A N SER 264.A O no hydrogen 3.069 N/A ALA 243.A N ILE 175.A O no hydrogen 2.748 N/A VAL 244.A N GLU 242.A OE1 no hydrogen 3.259 N/A VAL 244.A N GLU 242.A OE2 no hydrogen 3.282 N/A GLY 245.A N GLU 242.A OE1 no hydrogen 3.246 N/A THR 249.A OG1 GLU 242.A OE1 no hydrogen 2.800 N/A THR 249.A OG1 GLY 246.A O no hydrogen 3.020 N/A LEU 250.A N GLY 246.A O no hydrogen 3.066 N/A SER 251.A N ALA 247.A O no hydrogen 3.075 N/A SER 251.A OG ALA 247.A O no hydrogen 2.559 N/A LEU 252.A N ALA 248.A O no hydrogen 3.153 N/A ALA 253.A N THR 249.A O no hydrogen 2.884 N/A LEU 254.A N LEU 250.A O no hydrogen 3.059 N/A GLU 255.A N SER 251.A O no hydrogen 2.875 N/A MET 256.A N LEU 252.A O no hydrogen 2.837 N/A VAL 257.A N ALA 253.A O no hydrogen 3.043 N/A ARG 258.A N PRO 237.A O no hydrogen 3.112 N/A ARG 258.A NE ASP 238.A OD1 no hydrogen 2.719 N/A ARG 258.A NH1 PRO 259.A O no hydrogen 2.791 N/A ARG 258.A NH2 ASP 238.A OD1 no hydrogen 3.054 N/A GLY 260.A N LYS 284.A O no hydrogen 2.743 N/A GLY 261.A N ARG 258.A O no hydrogen 2.954 N/A ARG 262.A N ASP 238.A O no hydrogen 3.066 N/A ARG 262.A NH1 GLY 164.A O no hydrogen 2.874 N/A ARG 262.A NH1 ASP 170.A OD2 no hydrogen 3.399 N/A VAL 263.A N THR 287.A O no hydrogen 2.873 N/A SER 264.A N VAL 240.A O no hydrogen 2.865 N/A SER 264.A OG GLY 160.A O no hydrogen 2.648 N/A ALA 265.A N ARG 289.A O no hydrogen 2.705 N/A VAL 266.A N GLU 242.A O no hydrogen 2.894 N/A GLY 267.A N GLU 242.A O no hydrogen 3.303 N/A GLY 267.A N GLU 242.A OE2 no hydrogen 3.109 N/A ALA 271.A N ASP 269.A OD2 no hydrogen 2.980 N/A LEU 282.A N LEU 278.A O no hydrogen 2.830 N/A VAL 283.A N ALA 279.A O no hydrogen 3.346 N/A LYS 284.A N SER 280.A O no hydrogen 2.893 N/A LYS 284.A NZ LEU 254.A O no hydrogen 2.583 N/A LYS 284.A NZ GLU 255.A O no hydrogen 2.908 N/A LYS 284.A NZ VAL 257.A O no hydrogen 2.749 N/A ASP 285.A N GLY 281.A O no hydrogen 3.028 N/A THR 287.A N GLY 261.A O no hydrogen 3.351 N/A ARG 289.A N VAL 263.A O no hydrogen 3.009 N/A ASN 294.A ND2 HIS 98.A O no hydrogen 2.915 N/A LEU 297.A N ASN 294.A O no hydrogen 2.949 N/A TYR 298.A N VAL 295.A O no hydrogen 2.954 N/A ILE 299.A N VAL 295.A O no hydrogen 2.900 N/A VAL 302.A N TYR 298.A O no hydrogen 3.063 N/A LEU 303.A N ILE 299.A O no hydrogen 2.994 N/A ALA 304.A N ASP 300.A O no hydrogen 3.126 N/A LEU 305.A N ALA 301.A O no hydrogen 3.127 N/A LEU 306.A N VAL 302.A O no hydrogen 2.901 N/A ALA 307.A N LEU 303.A O no hydrogen 2.793 N/A SER 308.A N ALA 304.A O no hydrogen 3.241 N/A SER 308.A OG ALA 304.A O no hydrogen 3.162 N/A SER 308.A OG LEU 305.A O no hydrogen 3.061 N/A GLY 309.A N LEU 306.A O no hydrogen 2.927 N/A GLN 312.A N GLU 186.A OE2 no hydrogen 2.707 N/A GLN 312.A NE2 GLY 309.A O no hydrogen 3.593 N/A GLU 314.A N GLU 314.A OE1 no hydrogen 2.597 N/A ARG 315.A N GLN 312.A O no hydrogen 3.280 N/A ARG 315.A NH1 GLN 312.A OE1 no hydrogen 2.782 N/A ILE 316.A N PRO 313.A O no hydrogen 3.067 N/A VAL 317.A N GLU 314.A O no hydrogen 2.931 N/A SER 318.A N LYS 340.A O no hydrogen 3.066 N/A SER 318.A OG HIS 319.A ND1 no hydrogen 2.612 N/A SER 318.A OG LYS 340.A O no hydrogen 3.333 N/A HIS 319.A N LYS 340.A O no hydrogen 3.361 N/A HIS 319.A ND1 SER 318.A OG no hydrogen 2.612 N/A LEU 321.A N LEU 342.A O no hydrogen 3.035 N/A LEU 323.A N VAL 344.A O no hydrogen 2.959 N/A GLU 325.A N PRO 322.A O no hydrogen 2.887 N/A ALA 326.A N LEU 323.A O no hydrogen 3.036 N/A GLY 329.A N GLU 325.A O no hydrogen 3.095 N/A TYR 330.A N ALA 326.A O no hydrogen 2.890 N/A TYR 330.A OH GLN 122.A OE1 no hydrogen 2.821 N/A GLU 331.A N PRO 327.A O no hydrogen 3.171 N/A LEU 332.A N ARG 328.A O no hydrogen 2.778 N/A PHE 333.A N GLY 329.A O no hydrogen 2.865 N/A ASP 334.A N TYR 330.A O no hydrogen 2.827 N/A ARG 335.A N GLU 331.A O no hydrogen 2.814 N/A LYS 336.A N PHE 333.A O no hydrogen 3.029 N/A GLU 337.A N LEU 332.A O no hydrogen 2.899 N/A ALA 338.A N LEU 332.A O no hydrogen 3.327 N/A LEU 339.A N SER 318.A OG no hydrogen 3.037 N/A LYS 340.A NZ ILE 37.A O no hydrogen 3.218 N/A LYS 340.A NZ GLU 60.A OE1 no hydrogen 3.204 N/A LYS 340.A NZ GLU 60.A OE2 no hydrogen 2.670 N/A LEU 342.A N HIS 319.A O no hydrogen 2.984 N/A LEU 343.A N ALA 35.A O no hydrogen 2.681 N/A VAL 344.A N LEU 321.A O no hydrogen 2.673 N/A VAL 345.A N HIS 33.A O no hydrogen 3.073 N/A