Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8vap_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH2 GLU 122.A OE2 no hydrogen 3.209 N/A LEU 4.A N GLN 136.A O no hydrogen 2.880 N/A GLN 8.A N TYR 5.A O no hydrogen 2.866 N/A LEU 9.A N TYR 5.A O no hydrogen 3.071 N/A ARG 10.A NH1 GLU 7.A OE2 no hydrogen 3.522 N/A ARG 10.A NH2 GLU 7.A OE1 no hydrogen 2.681 N/A GLN 12.A N GLN 8.A O no hydrogen 2.948 N/A GLN 12.A NE2 GLN 12.A O no hydrogen 2.686 N/A LEU 13.A N LEU 9.A O no hydrogen 2.882 N/A GLU 15.A N GLN 12.A O no hydrogen 2.994 N/A ARG 18.A N TYR 21.A OH no hydrogen 3.216 N/A TYR 21.A N LEU 110.A O no hydrogen 2.850 N/A LEU 22.A N VAL 135.A O no hydrogen 2.876 N/A LEU 23.A N VAL 112.A O no hydrogen 2.652 N/A LEU 24.A N VAL 137.A O no hydrogen 2.929 N/A GLY 25.A N GLY 114.A O no hydrogen 3.276 N/A ASP 27.A N CYS 139.A O no hydrogen 3.093 N/A LEU 31.A N ASP 27.A O no hydrogen 3.258 N/A GLN 32.A N PRO 28.A O no hydrogen 2.900 N/A GLU 33.A N LEU 29.A O no hydrogen 2.888 N/A SER 34.A N LEU 30.A O no hydrogen 2.918 N/A SER 34.A OG LEU 30.A O no hydrogen 3.022 N/A GLN 35.A N LEU 31.A O no hydrogen 2.914 N/A ASP 36.A N GLN 32.A O no hydrogen 2.882 N/A ALA 37.A N GLU 33.A O no hydrogen 2.910 N/A VAL 38.A N SER 34.A O no hydrogen 2.926 N/A ARG 39.A N GLN 35.A O no hydrogen 2.912 N/A GLN 40.A N ASP 36.A O no hydrogen 2.878 N/A VAL 41.A N ALA 37.A O no hydrogen 2.953 N/A ALA 42.A N VAL 38.A O no hydrogen 2.903 N/A ALA 43.A N ARG 39.A O no hydrogen 2.881 N/A ALA 44.A N GLN 40.A O no hydrogen 2.929 N/A GLN 45.A N VAL 41.A O no hydrogen 2.917 N/A GLY 46.A N ALA 43.A O no hydrogen 3.325 N/A PHE 47.A N ALA 42.A O no hydrogen 2.620 N/A GLU 49.A N GLU 49.A OE1 no hydrogen 2.637 N/A HIS 50.A ND1 THR 79.A OG1 no hydrogen 2.856 N/A PHE 53.A N LEU 81.A O no hydrogen 2.905 N/A ILE 55.A N LEU 83.A O no hydrogen 3.019 N/A ASP 56.A N THR 59.A OG1 no hydrogen 2.533 N/A THR 59.A N ASP 56.A O no hydrogen 2.819 N/A THR 59.A OG1 SER 54.A O no hydrogen 3.486 N/A THR 59.A OG1 ASP 56.A O no hydrogen 2.624 N/A TRP 61.A N THR 59.A O no hydrogen 2.851 N/A ILE 64.A N ASP 60.A O no hydrogen 3.233 N/A PHE 65.A N TRP 61.A O no hydrogen 2.852 N/A SER 66.A N ASN 62.A O no hydrogen 2.869 N/A SER 66.A OG ASN 62.A O no hydrogen 3.218 N/A SER 66.A OG ALA 63.A O no hydrogen 2.619 N/A LEU 67.A N ALA 63.A O no hydrogen 2.870 N/A CYS 68.A N ILE 64.A O no hydrogen 2.923 N/A CYS 68.A SG ILE 64.A O no hydrogen 3.103 N/A GLN 69.A N PHE 65.A O no hydrogen 3.442 N/A ALA 70.A N LEU 67.A O no hydrogen 3.157 N/A SER 72.A OG ALA 75.A O no hydrogen 2.532 N/A SER 72.A OG SER 76.A O no hydrogen 2.927 N/A GLN 78.A N ASP 107.A OD1 no hydrogen 3.024 N/A GLN 78.A NE2 LEU 67.A O no hydrogen 3.084 N/A GLN 78.A NE2 ALA 70.A O no hydrogen 2.906 N/A THR 79.A N GLU 49.A O no hydrogen 3.399 N/A THR 79.A OG1 GLU 49.A O no hydrogen 3.556 N/A THR 79.A OG1 HIS 50.A ND1 no hydrogen 2.856 N/A LEU 81.A N HIS 51.A O no hydrogen 2.685 N/A LEU 82.A N ILE 111.A O no hydrogen 2.894 N/A LEU 83.A N PHE 53.A O no hydrogen 2.913 N/A LEU 84.A N ARG 113.A O no hydrogen 2.574 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.766 N/A GLY 88.A N PRO 85.A O no hydrogen 3.205 N/A ILE 93.A N ASN 90.A OD1 no hydrogen 3.284 N/A ASN 94.A N ASN 90.A O no hydrogen 2.726 N/A GLU 95.A N ALA 91.A O no hydrogen 2.923 N/A GLN 96.A N ALA 92.A O no hydrogen 2.947 N/A LEU 97.A N ILE 93.A O no hydrogen 2.864 N/A LEU 98.A N ASN 94.A O no hydrogen 2.867 N/A THR 99.A N GLU 95.A O no hydrogen 2.973 N/A THR 99.A OG1 GLU 95.A O no hydrogen 3.201 N/A LEU 100.A N GLN 96.A O no hydrogen 2.902 N/A THR 101.A N LEU 97.A O no hydrogen 2.835 N/A THR 101.A OG1 LEU 97.A O no hydrogen 2.685 N/A GLY 102.A N LEU 98.A O no hydrogen 2.939 N/A LEU 103.A N LEU 100.A O no hydrogen 2.770 N/A LEU 104.A N THR 101.A O no hydrogen 3.279 N/A ASP 107.A N HIS 105.A ND1 no hydrogen 3.243 N/A LEU 110.A N LEU 108.A O no hydrogen 2.653 N/A ILE 111.A N LEU 80.A O no hydrogen 2.888 N/A VAL 112.A N TYR 21.A O no hydrogen 2.927 N/A ARG 113.A N LEU 82.A O no hydrogen 2.912 N/A GLY 114.A N LEU 23.A O no hydrogen 3.351 N/A LYS 116.A N ASN 115.A OD1 no hydrogen 2.542 N/A LYS 116.A NZ GLN 140.A OE1 no hydrogen 3.353 N/A SER 118.A N GLN 121.A OE1 no hydrogen 2.591 N/A SER 118.A OG GLN 121.A OE1 no hydrogen 3.051 N/A GLN 121.A N SER 118.A OG no hydrogen 3.301 N/A GLN 121.A NE2 ASN 87.A O no hydrogen 3.047 N/A GLN 121.A NE2 PRO 89.A O no hydrogen 3.283 N/A GLU 122.A N SER 118.A O no hydrogen 2.696 N/A ASN 123.A N LYS 119.A O no hydrogen 3.079 N/A THR 128.A N ALA 124.A O no hydrogen 3.131 N/A THR 128.A OG1 ALA 124.A O no hydrogen 2.939 N/A ALA 129.A N ALA 125.A O no hydrogen 2.900 N/A ALA 129.A N TRP 126.A O no hydrogen 3.075 N/A ALA 131.A N THR 128.A O no hydrogen 3.149 N/A ARG 133.A NH1 ALA 129.A O no hydrogen 3.383 N/A SER 134.A N LEU 130.A O no hydrogen 3.358 N/A SER 134.A OG ALA 20.A O no hydrogen 2.675 N/A VAL 135.A N ALA 20.A O no hydrogen 2.933 N/A GLN 136.A N ILE 2.A O no hydrogen 2.909 N/A VAL 137.A N LEU 22.A O no hydrogen 2.898 N/A THR 138.A N LEU 4.A O no hydrogen 2.923 N/A CYS 139.A N LEU 24.A O no hydrogen 2.602 N/A CYS 139.A SG VAL 137.A O no hydrogen 3.786 N/A THR 141.A N ASN 26.A OD1 no hydrogen 2.768 N/A THR 141.A OG1 ASN 26.A OD1 no hydrogen 3.099 N/A TRP 150.A N GLN 146.A O no hydrogen 3.085 N/A VAL 151.A N LEU 147.A O no hydrogen 2.909 N/A ALA 152.A N PRO 148.A O no hydrogen 2.946 N/A ALA 153.A N ARG 149.A O no hydrogen 2.889 N/A ARG 154.A N TRP 150.A O no hydrogen 2.923 N/A ARG 154.A NH1 GLU 33.A OE1 no hydrogen 3.082 N/A ARG 154.A NH2 GLU 33.A OE2 no hydrogen 2.388 N/A ALA 155.A N VAL 151.A O no hydrogen 2.887 N/A LYS 156.A N ALA 152.A O no hydrogen 2.929 N/A GLN 157.A N ALA 153.A O no hydrogen 2.892 N/A LEU 158.A N ARG 154.A O no hydrogen 2.749 N/A ASN 159.A N LYS 156.A O no hydrogen 3.200 N/A LEU 160.A N ALA 155.A O no hydrogen 2.630 N/A GLU 161.A N GLY 195.A O no hydrogen 3.061 N/A ASN 167.A N ASP 163.A O no hydrogen 2.872 N/A GLN 168.A N ASP 164.A O no hydrogen 2.903 N/A VAL 169.A N ALA 165.A O no hydrogen 2.910 N/A LEU 170.A N ALA 166.A O no hydrogen 2.903 N/A CYS 171.A N ASN 167.A O no hydrogen 2.915 N/A CYS 171.A SG ASN 167.A O no hydrogen 3.103 N/A TYR 172.A N GLN 168.A O no hydrogen 2.876 N/A CYS 173.A N VAL 169.A O no hydrogen 2.902 N/A TYR 174.A N LEU 170.A O no hydrogen 3.141 N/A ASN 177.A N TYR 174.A O no hydrogen 3.159 N/A ASN 177.A ND2 ALA 209.A O no hydrogen 2.595 N/A LEU 181.A N ASN 177.A O no hydrogen 2.958 N/A ALA 182.A N LEU 178.A O no hydrogen 2.874 N/A GLN 183.A N LEU 179.A O no hydrogen 2.979 N/A ALA 184.A N ALA 180.A O no hydrogen 2.831 N/A LEU 185.A N LEU 181.A O no hydrogen 2.904 N/A GLU 186.A N ALA 182.A O no hydrogen 2.911 N/A ARG 187.A N GLN 183.A O no hydrogen 2.866 N/A ARG 187.A NH2 ALA 205.A O no hydrogen 2.797 N/A LEU 188.A N ALA 184.A O no hydrogen 2.873 N/A SER 189.A N LEU 185.A O no hydrogen 2.913 N/A LEU 190.A N GLU 186.A O no hydrogen 2.906 N/A LEU 191.A N ARG 187.A O no hydrogen 2.874 N/A TRP 192.A N LEU 188.A O no hydrogen 2.961 N/A LYS 196.A NZ ASP 194.A O no hydrogen 3.301 N/A LEU 197.A N GLU 161.A O no hydrogen 3.172 N/A ARG 201.A NH1 LYS 196.A O no hydrogen 3.095 N/A ARG 201.A NH2 ASP 194.A OD2 no hydrogen 3.294 N/A VAL 202.A N LEU 199.A O no hydrogen 3.166 N/A GLU 203.A N LEU 199.A O no hydrogen 2.917 N/A ALA 205.A N VAL 202.A O no hydrogen 3.344 N/A ASN 207.A N TYR 174.A OH no hydrogen 2.882 N/A ALA 209.A N CYS 173.A O no hydrogen 3.241 N/A HIS 211.A N GLU 175.A O no hydrogen 3.078 N/A THR 213.A N HIS 216.A ND1 no hydrogen 3.292 N/A THR 213.A OG1 HIS 216.A ND1 no hydrogen 2.653 N/A HIS 216.A N THR 213.A O no hydrogen 2.968 N/A HIS 216.A ND1 THR 213.A OG1 no hydrogen 2.653 N/A VAL 218.A N PRO 214.A O no hydrogen 2.936 N/A ASP 219.A N PHE 215.A O no hydrogen 2.904 N/A ALA 220.A N HIS 216.A O no hydrogen 2.900 N/A LEU 221.A N TRP 217.A O no hydrogen 2.896 N/A LEU 222.A N VAL 218.A O no hydrogen 2.931 N/A MET 223.A N ASP 219.A O no hydrogen 2.895 N/A GLY 224.A N ALA 220.A O no hydrogen 2.984 N/A GLY 224.A N LEU 221.A O no hydrogen 3.043 N/A LYS 225.A N ALA 220.A O no hydrogen 3.173 N/A ARG 228.A NH1 GLU 175.A OE1 no hydrogen 2.746 N/A ARG 228.A NH1 GLU 175.A OE2 no hydrogen 3.397 N/A ARG 228.A NH2 GLU 175.A OE2 no hydrogen 2.885 N/A ALA 229.A N LYS 225.A O no hydrogen 2.958 N/A LEU 230.A N SER 226.A O no hydrogen 2.914 N/A HIS 231.A N LYS 227.A O no hydrogen 2.928 N/A ILE 232.A N ARG 228.A O no hydrogen 2.899 N/A LEU 233.A N ALA 229.A O no hydrogen 2.925 N/A GLN 234.A N LEU 230.A O no hydrogen 2.935 N/A GLN 235.A N HIS 231.A O no hydrogen 2.946 N/A GLN 235.A NE2 ASP 208.A O no hydrogen 3.460 N/A GLN 235.A NE2 ALA 210.A O no hydrogen 2.663 N/A LEU 236.A N ILE 232.A O no hydrogen 2.881 N/A ARG 237.A N LEU 233.A O no hydrogen 2.899 N/A LEU 238.A N GLN 234.A O no hydrogen 2.920 N/A GLU 239.A N GLN 235.A O no hydrogen 2.907 N/A GLY 240.A N ARG 237.A O no hydrogen 2.938 N/A SER 241.A N LEU 236.A O no hydrogen 3.020 N/A GLU 242.A N GLU 242.A OE1 no hydrogen 2.642 N/A LEU 247.A N PRO 243.A O no hydrogen 2.952 N/A ARG 248.A N VAL 244.A O no hydrogen 2.867 N/A THR 249.A N ILE 245.A O no hydrogen 2.976 N/A LEU 250.A N LEU 246.A O no hydrogen 2.953 N/A GLN 251.A N LEU 247.A O no hydrogen 2.845 N/A ARG 252.A N ARG 248.A O no hydrogen 2.943 N/A GLU 253.A N THR 249.A O no hydrogen 3.028 N/A LEU 254.A N LEU 250.A O no hydrogen 2.855 N/A LEU 255.A N GLN 251.A O no hydrogen 2.893 N/A LEU 256.A N ARG 252.A O no hydrogen 3.049 N/A LEU 257.A N GLU 253.A O no hydrogen 2.895 N/A VAL 258.A N LEU 254.A O no hydrogen 2.847 N/A ASN 259.A N LEU 255.A O no hydrogen 2.968 N/A LEU 260.A N LEU 256.A O no hydrogen 2.955 N/A LYS 261.A N LEU 257.A O no hydrogen 2.872 N/A LYS 261.A NZ LEU 290.A O no hydrogen 3.269 N/A ARG 262.A N VAL 258.A O no hydrogen 2.909 N/A GLN 263.A N ASN 259.A O no hydrogen 2.952 N/A SER 264.A N LYS 261.A O no hydrogen 3.392 N/A SER 264.A OG LYS 261.A O no hydrogen 3.122 N/A HIS 266.A N GLN 263.A O no hydrogen 3.083 N/A THR 267.A N GLN 263.A O no hydrogen 2.954 N/A ARG 270.A NH1 ASP 274.A OD2 no hydrogen 3.149 N/A LEU 272.A N PRO 268.A O no hydrogen 3.202 N/A PHE 273.A N LEU 269.A O no hydrogen 2.884 N/A ASP 274.A N ARG 270.A O no hydrogen 2.929 N/A LYS 275.A N ALA 271.A O no hydrogen 2.894 N/A HIS 276.A N LEU 272.A O no hydrogen 3.120 N/A HIS 276.A NE2 GLN 263.A OE1 no hydrogen 3.227 N/A ARG 277.A N ASP 274.A O no hydrogen 3.331 N/A VAL 278.A N PHE 273.A O no hydrogen 3.139 N/A ARG 282.A N TRP 279.A O no hydrogen 3.239 N/A ARG 282.A NH2 ASP 219.A OD1 no hydrogen 2.911 N/A ARG 283.A N GLN 280.A O no hydrogen 3.280 N/A ARG 283.A NH1 ASP 274.A OD1 no hydrogen 2.997 N/A ARG 283.A NH2 ARG 270.A O no hydrogen 3.170 N/A MET 286.A N ARG 282.A O no hydrogen 2.916 N/A GLY 287.A N ARG 283.A O no hydrogen 2.873 N/A GLU 288.A N GLY 284.A O no hydrogen 2.913 N/A ALA 289.A N MET 285.A O no hydrogen 2.922 N/A LEU 290.A N MET 286.A O no hydrogen 2.884 N/A ASN 291.A N GLY 287.A O no hydrogen 2.914 N/A ARG 292.A N GLU 288.A O no hydrogen 2.907 N/A ARG 292.A NH1 LEU 222.A O no hydrogen 3.208 N/A ARG 292.A NH2 LEU 221.A O no hydrogen 3.347 N/A ARG 292.A NH2 LEU 331.A O no hydrogen 2.778 N/A LEU 293.A N ALA 289.A O no hydrogen 2.811 N/A SER 294.A N GLN 297.A OE1 no hydrogen 2.855 N/A GLN 297.A NE2 HIS 333.A O no hydrogen 2.538 N/A LEU 298.A N SER 294.A O no hydrogen 2.968 N/A ARG 299.A N GLN 295.A O no hydrogen 2.912 N/A GLN 300.A N THR 296.A O no hydrogen 2.928 N/A ALA 301.A N GLN 297.A O no hydrogen 2.882 N/A VAL 302.A N LEU 298.A O no hydrogen 2.912 N/A GLN 303.A N ARG 299.A O no hydrogen 2.911 N/A LEU 304.A N GLN 300.A O no hydrogen 2.915 N/A LEU 305.A N ALA 301.A O no hydrogen 2.893 N/A THR 306.A N VAL 302.A O no hydrogen 2.886 N/A THR 306.A OG1 VAL 302.A O no hydrogen 2.943 N/A ARG 307.A N GLN 303.A O no hydrogen 2.940 N/A THR 308.A N LEU 304.A O no hydrogen 2.913 N/A THR 308.A OG1 LEU 304.A O no hydrogen 2.603 N/A GLU 309.A N LEU 305.A O no hydrogen 2.917 N/A LEU 310.A N THR 306.A O no hydrogen 2.908 N/A THR 311.A N ARG 307.A O no hydrogen 2.916 N/A THR 311.A OG1 ARG 307.A O no hydrogen 3.210 N/A LEU 312.A N THR 308.A O no hydrogen 2.945 N/A LYS 313.A N GLU 309.A O no hydrogen 2.865 N/A GLN 314.A N LEU 310.A O no hydrogen 3.243 N/A ASP 315.A N LEU 312.A O no hydrogen 3.232 N/A GLY 317.A N THR 311.A O no hydrogen 3.467 N/A GLN 318.A NE2 TYR 316.A O no hydrogen 2.336 N/A LEU 324.A N VAL 320.A O no hydrogen 2.917 N/A GLU 325.A N TRP 321.A O no hydrogen 2.882 N/A GLY 326.A N ALA 322.A O no hydrogen 2.904 N/A LEU 327.A N GLU 323.A O no hydrogen 2.916 N/A SER 328.A N LEU 324.A O no hydrogen 2.883 N/A LEU 329.A N GLU 325.A O no hydrogen 2.899 N/A LEU 330.A N GLY 326.A O no hydrogen 2.909 N/A LEU 331.A N LEU 327.A O no hydrogen 2.928 N/A CYS 332.A N LEU 329.A O no hydrogen 3.132 N/A CYS 332.A SG SER 328.A O no hydrogen 3.101 N/A