Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ub8_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 7.A N GLY 3.A O no hydrogen 3.100 N/A LEU 8.A N TRP 4.A O no hydrogen 2.881 N/A ASP 9.A N PHE 5.A O no hydrogen 2.882 N/A ASP 10.A N ASP 6.A O no hydrogen 2.910 N/A TRP 11.A N ILE 7.A O no hydrogen 2.994 N/A LEU 12.A N LEU 8.A O no hydrogen 2.840 N/A LYS 13.A N ASP 9.A O no hydrogen 3.032 N/A LYS 13.A N ASP 10.A O no hydrogen 3.180 N/A LYS 13.A NZ ASP 9.A OD1 no hydrogen 2.659 N/A LYS 13.A NZ ASP 9.A OD2 no hydrogen 3.445 N/A ARG 14.A N TRP 11.A O no hydrogen 3.361 N/A ARG 16.A NH1 TRP 11.A O no hydrogen 2.956 N/A ARG 16.A NH2 TRP 11.A O no hydrogen 3.355 N/A GLY 21.A N LEU 12.A O no hydrogen 2.854 N/A TRP 22.A N GLU 121.A OE1 no hydrogen 2.980 N/A TRP 22.A NE1 ASP 9.A OD1 no hydrogen 2.922 N/A SER 23.A N GLU 121.A OE2 no hydrogen 2.988 N/A SER 23.A OG GLU 121.A OE2 no hydrogen 2.687 N/A GLY 24.A N GLY 21.A O no hydrogen 3.064 N/A ILE 25.A N TRP 22.A O no hydrogen 3.096 N/A LEU 26.A N SER 23.A O no hydrogen 3.186 N/A LEU 27.A N SER 23.A O no hydrogen 2.912 N/A PHE 28.A N GLY 24.A O no hydrogen 2.932 N/A CYS 30.A SG LEU 26.A O no hydrogen 3.466 N/A ALA 31.A N LEU 27.A O no hydrogen 2.871 N/A TYR 32.A N PHE 28.A O no hydrogen 3.039 N/A LEU 33.A N PRO 29.A O no hydrogen 2.823 N/A ALA 34.A N CYS 30.A O no hydrogen 3.109 N/A LEU 35.A N ALA 31.A O no hydrogen 3.003 N/A GLY 36.A N TYR 32.A O no hydrogen 2.861 N/A GLY 37.A N LEU 33.A O no hydrogen 2.635 N/A TRP 38.A N ALA 34.A O no hydrogen 3.006 N/A TRP 38.A NE1 PHE 163.A O no hydrogen 2.875 N/A LEU 39.A N LEU 35.A O no hydrogen 2.943 N/A THR 40.A N GLY 36.A O no hydrogen 2.836 N/A THR 40.A OG1 GLY 36.A O no hydrogen 2.597 N/A GLY 41.A N GLY 37.A O no hydrogen 3.032 N/A THR 42.A N TRP 38.A O no hydrogen 2.923 N/A THR 42.A OG1 TRP 38.A O no hydrogen 2.892 N/A THR 42.A OG1 LEU 39.A O no hydrogen 3.297 N/A THR 43.A N LEU 39.A O no hydrogen 3.055 N/A THR 43.A OG1 LEU 39.A O no hydrogen 2.760 N/A PHE 44.A N THR 40.A O no hydrogen 3.105 N/A VAL 45.A N GLY 41.A O no hydrogen 2.836 N/A THR 46.A OG1 GLU 59.A OE1 no hydrogen 2.652 N/A SER 47.A N LEU 53.A O no hydrogen 3.211 N/A SER 47.A OG SER 55.A OG no hydrogen 2.662 N/A SER 47.A OG SER 69.A OG no hydrogen 2.766 N/A TRP 48.A N THR 46.A OG1 no hydrogen 3.071 N/A THR 50.A OG1 SER 47.A O no hydrogen 3.484 N/A THR 50.A OG1 HIS 51.A ND1 no hydrogen 3.132 N/A HIS 51.A N SER 47.A O no hydrogen 2.850 N/A HIS 51.A ND1 THR 50.A OG1 no hydrogen 3.132 N/A GLY 52.A N TRP 48.A O no hydrogen 3.117 N/A LEU 53.A N SER 47.A O no hydrogen 3.218 N/A SER 55.A N GLU 59.A OE2 no hydrogen 3.016 N/A SER 55.A OG VAL 45.A O no hydrogen 3.011 N/A SER 55.A OG SER 47.A OG no hydrogen 2.662 N/A SER 56.A OG GLU 59.A OE2 no hydrogen 2.800 N/A TYR 57.A N THR 42.A O no hydrogen 2.874 N/A LEU 58.A N THR 43.A O no hydrogen 2.969 N/A GLU 59.A N SER 56.A O no hydrogen 3.132 N/A GLU 59.A N SER 56.A OG no hydrogen 3.362 N/A GLY 60.A N TYR 57.A O no hydrogen 2.884 N/A CYS 61.A N SER 56.A O no hydrogen 3.116 N/A ASN 62.A N THR 65.A OG1 no hydrogen 3.197 N/A THR 65.A N ASN 62.A O no hydrogen 3.010 N/A THR 65.A N ASN 62.A OD1 no hydrogen 3.245 N/A VAL 66.A N ASN 62.A O no hydrogen 2.966 N/A ALA 67.A N SER 55.A O no hydrogen 2.922 N/A VAL 68.A N PHE 163.A O no hydrogen 2.999 N/A SER 69.A OG SER 47.A OG no hydrogen 2.766 N/A THR 70.A N SER 162.A OG no hydrogen 3.163 N/A THR 70.A OG1 PHE 158.A O no hydrogen 2.859 N/A MET 75.A N ALA 72.A O no hydrogen 2.945 N/A GLY 76.A N ASN 73.A O no hydrogen 3.116 N/A HIS 77.A NE2 PRO 151.A O no hydrogen 2.854 N/A HIS 77.A NE2 GLN 154.A O no hydrogen 3.017 N/A SER 78.A N MET 75.A O no hydrogen 3.197 N/A SER 78.A OG GLU 86.A OE2 no hydrogen 2.625 N/A LEU 80.A N SER 78.A OG no hydrogen 2.923 N/A GLY 84.A N LEU 81.A O no hydrogen 2.930 N/A GLN 88.A N GLY 84.A O no hydrogen 2.829 N/A GLN 88.A NE2 PRO 85.A O no hydrogen 3.017 N/A GLY 89.A N LEU 82.A O no hydrogen 2.820 N/A ASP 90.A N ALA 87.A O no hydrogen 3.143 N/A ARG 93.A N ASP 90.A OD1 no hydrogen 3.129 N/A ARG 93.A NH1 GLN 96.A OE1 no hydrogen 2.797 N/A TRP 94.A N ASP 90.A O no hydrogen 2.910 N/A TRP 94.A NE1 LEU 80.A O no hydrogen 2.910 N/A CYS 95.A N PHE 91.A O no hydrogen 2.958 N/A CYS 95.A SG PHE 91.A O no hydrogen 3.451 N/A GLN 96.A N THR 92.A O no hydrogen 2.938 N/A LEU 97.A N ARG 93.A O no hydrogen 2.785 N/A LEU 97.A N TRP 94.A O no hydrogen 3.155 N/A GLY 98.A N CYS 95.A O no hydrogen 3.258 N/A GLY 99.A N TRP 94.A O no hydrogen 2.922 N/A TRP 101.A N GLY 98.A O no hydrogen 2.968 N/A TRP 101.A NE1 PRO 161.A O no hydrogen 3.087 N/A THR 102.A OG1 LEU 79.A O no hydrogen 2.883 N/A THR 102.A OG1 GLY 99.A O no hydrogen 3.216 N/A PHE 103.A N GLY 99.A O no hydrogen 2.959 N/A ILE 104.A N LEU 100.A O no hydrogen 2.915 N/A ALA 105.A N TRP 101.A O no hydrogen 2.889 N/A LEU 106.A N THR 102.A O no hydrogen 2.876 N/A HIS 107.A N PHE 103.A O no hydrogen 3.003 N/A HIS 107.A ND1 PHE 103.A O no hydrogen 2.923 N/A GLY 108.A N ILE 104.A O no hydrogen 2.862 N/A ALA 109.A N ALA 105.A O no hydrogen 2.907 N/A PHE 110.A N LEU 106.A O no hydrogen 2.981 N/A GLY 111.A N HIS 107.A O no hydrogen 2.884 N/A LEU 112.A N GLY 108.A O no hydrogen 2.905 N/A ILE 113.A N ALA 109.A O no hydrogen 3.041 N/A GLY 114.A N PHE 110.A O no hydrogen 2.926 N/A PHE 115.A N GLY 111.A O no hydrogen 2.862 N/A MET 116.A N LEU 112.A O no hydrogen 2.989 N/A LEU 117.A N ILE 113.A O no hydrogen 2.935 N/A ARG 118.A N GLY 114.A O no hydrogen 2.920 N/A ARG 118.A NH1 PHE 19.A O no hydrogen 2.672 N/A ARG 118.A NH2 PHE 19.A O no hydrogen 2.911 N/A GLN 119.A N PHE 115.A O no hydrogen 2.942 N/A GLN 119.A NE2 ASN 132.A OD1 no hydrogen 2.971 N/A PHE 120.A N MET 116.A O no hydrogen 3.064 N/A GLU 121.A N LEU 117.A O no hydrogen 2.886 N/A ILE 122.A N ARG 118.A O no hydrogen 2.924 N/A ALA 123.A N GLN 119.A O no hydrogen 3.064 N/A ARG 124.A N PHE 120.A O no hydrogen 2.940 N/A ARG 124.A NE ARG 124.A O no hydrogen 3.018 N/A LEU 125.A N GLU 121.A O no hydrogen 2.977 N/A VAL 126.A N ILE 122.A O no hydrogen 2.924 N/A GLY 127.A N ALA 123.A O no hydrogen 2.942 N/A VAL 128.A N ALA 123.A O no hydrogen 3.046 N/A ILE 134.A N PRO 130.A O no hydrogen 3.301 N/A ALA 135.A N TYR 131.A O no hydrogen 2.893 N/A PHE 136.A N ASN 132.A O no hydrogen 2.954 N/A SER 137.A N ILE 134.A O no hydrogen 2.893 N/A SER 137.A OG ILE 134.A O no hydrogen 2.784 N/A ALA 138.A N ALA 135.A O no hydrogen 3.308 N/A ILE 140.A N PHE 136.A O no hydrogen 3.241 N/A ALA 141.A N SER 137.A O no hydrogen 2.939 N/A VAL 142.A N ALA 138.A O no hydrogen 3.051 N/A PHE 143.A N PRO 139.A O no hydrogen 2.993 N/A VAL 144.A N ILE 140.A O no hydrogen 2.948 N/A SER 145.A N ALA 141.A O no hydrogen 2.982 N/A SER 145.A OG ALA 141.A O no hydrogen 2.766 N/A SER 145.A OG VAL 142.A O no hydrogen 3.135 N/A VAL 146.A N VAL 142.A O no hydrogen 2.887 N/A PHE 147.A N PHE 143.A O no hydrogen 2.897 N/A LEU 148.A N VAL 144.A O no hydrogen 3.204 N/A ILE 149.A N VAL 144.A O no hydrogen 2.853 N/A TYR 150.A N SER 145.A O no hydrogen 2.908 N/A TYR 150.A OH HIS 179.A NE2 no hydrogen 2.867 N/A LEU 152.A N LEU 148.A O no hydrogen 3.062 N/A GLY 153.A N ILE 149.A O no hydrogen 2.964 N/A GLY 153.A N TYR 150.A O no hydrogen 3.221 N/A GLN 154.A N TYR 150.A O no hydrogen 3.282 N/A GLN 154.A N PRO 151.A O no hydrogen 3.032 N/A GLN 154.A NE2 LEU 279.A O no hydrogen 3.164 N/A GLN 154.A NE2 ASN 282.A OD1 no hydrogen 2.864 N/A SER 155.A OG ASN 73.A OD1 no hydrogen 2.716 N/A SER 156.A OG ASN 73.A OD1 no hydrogen 2.801 N/A TRP 157.A N GLY 76.A O no hydrogen 2.966 N/A TRP 157.A NE1 SER 78.A O no hydrogen 2.698 N/A PHE 158.A N SER 156.A OG no hydrogen 3.021 N/A PHE 159.A N SER 156.A O no hydrogen 3.406 N/A ALA 160.A N TRP 157.A O no hydrogen 2.893 N/A PHE 163.A N VAL 68.A O no hydrogen 3.030 N/A ALA 166.A N LEU 64.A O no hydrogen 2.867 N/A ILE 168.A N GLY 164.A O no hydrogen 2.956 N/A PHE 169.A N VAL 165.A O no hydrogen 3.027 N/A ARG 170.A N ALA 166.A O no hydrogen 2.901 N/A ARG 170.A NE ASP 323.A OD2 no hydrogen 2.757 N/A ARG 170.A NH2 ASP 323.A OD1 no hydrogen 2.870 N/A ARG 170.A NH2 ASP 323.A OD2 no hydrogen 3.349 N/A PHE 171.A N ALA 167.A O no hydrogen 3.023 N/A LEU 172.A N ILE 168.A O no hydrogen 2.984 N/A LEU 173.A N PHE 169.A O no hydrogen 3.049 N/A PHE 174.A N ARG 170.A O no hydrogen 2.866 N/A PHE 175.A N PHE 171.A O no hydrogen 2.984 N/A GLN 176.A N LEU 172.A O no hydrogen 2.980 N/A GLN 176.A NE2 ASN 180.A OD1 no hydrogen 2.939 N/A GLN 176.A NE2 ASN 312.A OD1 no hydrogen 2.775 N/A GLY 177.A N LEU 173.A O no hydrogen 2.943 N/A PHE 178.A N PHE 174.A O no hydrogen 2.909 N/A HIS 179.A N PHE 175.A O no hydrogen 2.994 N/A HIS 179.A NE2 TYR 150.A OH no hydrogen 2.867 N/A ASN 180.A N GLN 176.A O no hydrogen 2.962 N/A ASN 180.A ND2 TYR 286.A O no hydrogen 3.045 N/A TRP 181.A N PHE 175.A O no hydrogen 3.263 N/A THR 182.A OG1 GLN 176.A OE1 no hydrogen 2.681 N/A LEU 183.A N ASN 180.A O no hydrogen 2.951 N/A ASN 184.A N TRP 181.A O no hydrogen 3.122 N/A PHE 186.A N ASN 184.A OD1 no hydrogen 3.094 N/A MET 188.A N ASN 184.A O no hydrogen 2.932 N/A MET 189.A N PRO 185.A O no hydrogen 2.956 N/A GLY 190.A N PHE 186.A O no hydrogen 3.041 N/A VAL 191.A N HIS 187.A O no hydrogen 2.817 N/A ALA 192.A N MET 188.A O no hydrogen 2.956 N/A GLY 193.A N MET 189.A O no hydrogen 2.927 N/A VAL 194.A N GLY 190.A O no hydrogen 2.935 N/A LEU 195.A N VAL 191.A O no hydrogen 2.894 N/A GLY 196.A N ALA 192.A O no hydrogen 2.824 N/A GLY 197.A N GLY 193.A O no hydrogen 2.892 N/A ALA 198.A N VAL 194.A O no hydrogen 2.919 N/A LEU 199.A N LEU 195.A O no hydrogen 2.893 N/A LEU 200.A N GLY 196.A O no hydrogen 2.864 N/A CYS 201.A N GLY 197.A O no hydrogen 2.925 N/A ALA 202.A N ALA 198.A O no hydrogen 3.040 N/A ILE 203.A N LEU 199.A O no hydrogen 2.903 N/A HIS 204.A N LEU 200.A O no hydrogen 2.911 N/A GLY 205.A N CYS 201.A O no hydrogen 3.049 N/A ALA 206.A N ALA 202.A O no hydrogen 2.963 N/A THR 207.A N ILE 203.A O no hydrogen 2.904 N/A THR 207.A OG1 ILE 203.A O no hydrogen 2.796 N/A VAL 208.A N HIS 204.A O no hydrogen 2.978 N/A GLU 209.A N GLY 205.A O no hydrogen 2.994 N/A ASN 210.A N THR 207.A O no hydrogen 3.093 N/A ASN 210.A ND2 ALA 206.A O no hydrogen 2.719 N/A THR 211.A N VAL 208.A O no hydrogen 3.265 N/A THR 211.A OG1 THR 207.A O no hydrogen 2.783 N/A THR 211.A OG1 VAL 208.A O no hydrogen 3.530 N/A PHE 213.A N THR 233.A O no hydrogen 3.003 N/A GLN 214.A NE2 GLY 216.A O no hydrogen 3.116 N/A ALA 224.A N THR 221.A O no hydrogen 3.365 N/A ASN 226.A N GLN 229.A OE1 no hydrogen 2.793 N/A THR 228.A N ASN 226.A OD1 no hydrogen 3.277 N/A THR 228.A OG1 ASN 226.A OD1 no hydrogen 2.963 N/A GLN 229.A N ASN 226.A O no hydrogen 2.927 N/A GLN 229.A NE2 GLU 231.A O no hydrogen 3.161 N/A SER 235.A N THR 211.A O no hydrogen 2.915 N/A THR 238.A N SER 235.A OG no hydrogen 2.932 N/A ALA 239.A N SER 235.A O no hydrogen 3.138 N/A ASN 240.A N MET 236.A O no hydrogen 2.884 N/A ASN 240.A ND2 PHE 251.A O no hydrogen 3.117 N/A ARG 241.A N VAL 237.A O no hydrogen 3.002 N/A PHE 242.A N THR 238.A O no hydrogen 2.950 N/A TRP 243.A N ALA 239.A O no hydrogen 2.989 N/A TRP 243.A NE1 THR 207.A OG1 no hydrogen 2.751 N/A SER 244.A N ASN 240.A O no hydrogen 2.925 N/A SER 244.A OG ASN 240.A O no hydrogen 2.725 N/A GLN 245.A N ARG 241.A O no hydrogen 2.944 N/A ILE 246.A N PHE 242.A O no hydrogen 2.915 N/A PHE 247.A N TRP 243.A O no hydrogen 2.852 N/A GLY 248.A N SER 244.A O no hydrogen 3.172 N/A LYS 254.A NZ GLU 232.A OE1 no hydrogen 3.268 N/A TRP 256.A N ASN 253.A OD1 no hydrogen 3.074 N/A LEU 257.A N ASN 253.A O no hydrogen 2.951 N/A HIS 258.A N LYS 254.A O no hydrogen 3.073 N/A HIS 258.A ND1 LYS 254.A O no hydrogen 2.665 N/A PHE 259.A N ARG 255.A O no hydrogen 2.946 N/A PHE 260.A N TRP 256.A O no hydrogen 2.902 N/A MET 261.A N LEU 257.A O no hydrogen 3.033 N/A LEU 262.A N HIS 258.A O no hydrogen 3.117 N/A PHE 263.A N PHE 259.A O no hydrogen 2.865 N/A VAL 264.A N PHE 260.A O no hydrogen 2.970 N/A VAL 266.A N LEU 262.A O no hydrogen 3.383 N/A THR 267.A N PHE 263.A O no hydrogen 2.999 N/A THR 267.A OG1 PHE 263.A O no hydrogen 2.856 N/A GLY 268.A N VAL 264.A O no hydrogen 3.123 N/A LEU 269.A N PRO 265.A O no hydrogen 3.137 N/A TRP 270.A N VAL 266.A O no hydrogen 3.173 N/A TRP 270.A NE1 SER 137.A OG no hydrogen 2.982 N/A MET 271.A N THR 267.A O no hydrogen 2.885 N/A SER 272.A N GLY 268.A O no hydrogen 3.059 N/A SER 272.A OG LEU 269.A O no hydrogen 2.822 N/A ALA 273.A N LEU 269.A O no hydrogen 3.104 N/A ILE 274.A N TRP 270.A O no hydrogen 3.256 N/A GLY 275.A N MET 271.A O no hydrogen 3.291 N/A VAL 276.A N SER 272.A O no hydrogen 3.047 N/A VAL 277.A N ALA 273.A O no hydrogen 3.009 N/A GLY 278.A N ILE 274.A O no hydrogen 3.227 N/A LEU 279.A N GLY 275.A O no hydrogen 2.993 N/A ALA 280.A N VAL 276.A O no hydrogen 2.914 N/A ALA 280.A N VAL 277.A O no hydrogen 3.179 N/A LEU 281.A N GLY 278.A O no hydrogen 2.898 N/A ASN 282.A N LEU 279.A O no hydrogen 3.085 N/A LEU 283.A N GLY 278.A O no hydrogen 2.899 N/A ARG 284.A NE HIS 179.A ND1 no hydrogen 2.963 N/A ARG 284.A NH1 ASN 282.A OD1 no hydrogen 3.168 N/A PHE 288.A N TYR 305.A OH no hydrogen 3.019 N/A GLU 292.A N PHE 288.A O no hydrogen 3.180 N/A ILE 293.A N ILE 289.A O no hydrogen 2.934 N/A ARG 294.A N SER 290.A O no hydrogen 3.068 N/A ARG 294.A NE ASP 298.A OD2 no hydrogen 3.087 N/A ARG 294.A NH2 ASP 298.A OD2 no hydrogen 3.254 N/A ALA 295.A N GLN 291.A O no hydrogen 2.899 N/A ALA 296.A N GLU 292.A O no hydrogen 2.920 N/A GLU 297.A N ILE 293.A O no hydrogen 3.162 N/A ASP 298.A N ARG 294.A O no hydrogen 2.949 N/A ASP 298.A N ALA 295.A O no hydrogen 3.391 N/A GLU 300.A N ASP 298.A OD1 no hydrogen 2.994 N/A PHE 301.A N ASP 298.A O no hydrogen 3.115 N/A THR 303.A N THR 306.A OG1 no hydrogen 3.320 N/A THR 303.A OG1 GLN 291.A OE1 no hydrogen 2.982 N/A TYR 305.A OH GLU 292.A OE1 no hydrogen 2.680 N/A THR 306.A N THR 303.A OG1 no hydrogen 3.407 N/A THR 306.A OG1 THR 303.A O no hydrogen 3.161 N/A LYS 307.A N THR 303.A O no hydrogen 3.133 N/A ASN 308.A N PHE 304.A O no hydrogen 2.949 N/A LEU 309.A N TYR 305.A O no hydrogen 3.132 N/A LEU 310.A N THR 306.A O no hydrogen 3.200 N/A LEU 311.A N LYS 307.A O no hydrogen 3.502 N/A ASN 312.A N ASN 308.A O no hydrogen 2.951 N/A GLU 313.A N LEU 309.A O no hydrogen 2.935 N/A GLY 314.A N LEU 310.A O no hydrogen 3.009 N/A ILE 315.A N LEU 311.A O no hydrogen 2.950 N/A ARG 316.A N ASN 312.A O no hydrogen 2.939 N/A ARG 316.A NH1 GLY 177.A O no hydrogen 2.890 N/A ARG 316.A NH1 TYR 286.A OH no hydrogen 2.824 N/A ALA 317.A N GLU 313.A O no hydrogen 3.077 N/A TRP 318.A N GLY 314.A O no hydrogen 2.941 N/A TRP 318.A NE1 PRO 337.A O no hydrogen 3.071 N/A MET 319.A N ILE 315.A O no hydrogen 2.878 N/A ALA 320.A N ARG 316.A O no hydrogen 3.023 N/A ASP 323.A N MET 319.A O no hydrogen 2.997 N/A GLN 324.A N ALA 320.A O no hydrogen 2.732 N/A GLU 327.A N GLN 324.A O no hydrogen 3.036 N/A ASN 328.A N PRO 325.A O no hydrogen 3.095 N/A VAL 335.A N PRO 332.A O no hydrogen 3.016 N/A LEU 336.A N GLU 333.A O no hydrogen 3.235 N/A ARG 338.A NE LEU 342.A OXT no hydrogen 2.852 N/A ARG 338.A NH2 LEU 342.A O no hydrogen 2.782 N/A LEU 342.A N ASN 340.A O no hydrogen 2.726 N/A