Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2gup_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N LEU 17.A O no hydrogen 2.896 N/A ALA 3.A N GLY 53.A O no hydrogen 2.930 N/A THR 4.A N ALA 15.A O no hydrogen 2.782 N/A THR 4.A OG1 ILE 2.A O no hydrogen 2.883 N/A ILE 5.A N ALA 55.A O no hydrogen 2.916 N/A ASP 6.A N LYS 13.A O no hydrogen 2.927 N/A ILE 7.A N SER 56.A O no hydrogen 3.016 N/A GLY 8.A N GLY 11.A O no hydrogen 3.144 N/A GLY 11.A N GLY 8.A O no hydrogen 3.368 N/A ILE 12.A N ILE 29.A O no hydrogen 2.848 N/A LYS 13.A N ASP 6.A O no hydrogen 2.954 N/A LYS 13.A NZ ASP 266.A OD1 no hydrogen 2.649 N/A PHE 14.A N THR 27.A O no hydrogen 2.834 N/A ALA 15.A N THR 4.A O no hydrogen 2.745 N/A SER 16.A N ASP 25.A O no hydrogen 2.850 N/A SER 16.A N ASP 25.A OD1 no hydrogen 3.293 N/A SER 16.A OG ASP 25.A OD1 no hydrogen 2.584 N/A SER 16.A OG ASP 25.A OD2 no hydrogen 3.165 N/A SER 16.A OG GLN 49.A OE1 no hydrogen 3.552 N/A SER 16.A OG TYR 51.A OH no hydrogen 2.584 N/A LEU 17.A N ILE 2.A O no hydrogen 2.986 N/A THR 18.A N LYS 22.A O no hydrogen 3.161 N/A THR 18.A OG1 ASP 20.A OD2 no hydrogen 3.073 N/A GLY 21.A N THR 18.A O no hydrogen 2.849 N/A LYS 22.A N THR 18.A OG1 no hydrogen 3.333 N/A LEU 24.A N SER 16.A O no hydrogen 2.790 N/A LYS 26.A NZ ASP 266.A OD1 no hydrogen 2.965 N/A LYS 26.A NZ ASP 266.A OD2 no hydrogen 3.003 N/A THR 27.A N PHE 14.A O no hydrogen 2.882 N/A ILE 29.A N ILE 12.A O no hydrogen 2.898 N/A THR 31.A OG1 GLY 8.A O no hydrogen 2.915 N/A THR 31.A OG1 GLY 9.A O no hydrogen 3.113 N/A GLU 36.A N GLU 36.A OE1 no hydrogen 2.732 N/A ASP 37.A N ASN 34.A OD1 no hydrogen 2.948 N/A LEU 38.A N ASN 34.A O no hydrogen 3.179 N/A LEU 39.A N LEU 35.A O no hydrogen 2.952 N/A ALA 40.A N GLU 36.A O no hydrogen 2.984 N/A TRP 41.A N ASP 37.A O no hydrogen 3.160 N/A LEU 42.A N LEU 38.A O no hydrogen 2.796 N/A ASP 43.A N LEU 39.A O no hydrogen 2.854 N/A GLN 44.A N ALA 40.A O no hydrogen 2.893 N/A ARG 45.A N TRP 41.A O no hydrogen 3.065 N/A LEU 46.A N LEU 42.A O no hydrogen 2.974 N/A SER 47.A N ASP 43.A O no hydrogen 3.082 N/A SER 47.A OG GLN 44.A O no hydrogen 2.857 N/A GLU 48.A N ARG 45.A O no hydrogen 3.378 N/A GLN 49.A NE2 SER 16.A OG no hydrogen 3.299 N/A GLN 49.A NE2 ASP 25.A OD2 no hydrogen 3.136 N/A TYR 51.A OH SER 16.A OG no hydrogen 2.584 N/A SER 52.A N THR 1.A O no hydrogen 2.775 N/A ILE 54.A N PRO 92.A O no hydrogen 2.968 N/A ALA 55.A N ALA 3.A O no hydrogen 2.893 N/A VAL 57.A N GLU 96.A O no hydrogen 2.887 N/A ALA 60.A N ASP 69.A O no hydrogen 3.429 N/A ASN 62.A N VAL 67.A O no hydrogen 2.853 N/A GLN 63.A NE2 LEU 95.A O no hydrogen 3.337 N/A THR 65.A N ASN 62.A OD1 no hydrogen 2.700 N/A GLY 66.A N ASN 62.A O no hydrogen 2.875 N/A ASP 69.A N ALA 60.A O no hydrogen 2.786 N/A SER 72.A OG HIS 78.A NE2 no hydrogen 2.908 N/A VAL 74.A N SER 72.A OG no hydrogen 2.985 N/A TYR 76.A OH PRO 32.A O no hydrogen 2.639 N/A ILE 77.A N VAL 74.A O no hydrogen 3.219 N/A HIS 78.A N PRO 75.A O no hydrogen 3.178 N/A HIS 78.A ND1 ILE 68.A O no hydrogen 3.010 N/A HIS 78.A NE2 SER 72.A OG no hydrogen 2.908 N/A SER 81.A OG THR 65.A O no hydrogen 2.858 N/A TRP 82.A N GLY 66.A O no hydrogen 3.026 N/A TRP 82.A NE1 ILE 77.A O no hydrogen 3.164 N/A TYR 83.A OH GLN 63.A O no hydrogen 2.773 N/A GLU 84.A N SER 81.A OG no hydrogen 3.056 N/A ALA 85.A N SER 81.A O no hydrogen 2.988 N/A LEU 86.A N TRP 82.A O no hydrogen 3.097 N/A SER 87.A N GLU 84.A O no hydrogen 2.945 N/A SER 87.A OG GLU 84.A O no hydrogen 2.650 N/A TYR 89.A N LEU 86.A O no hydrogen 3.231 N/A TYR 89.A OH ASP 43.A OD1 no hydrogen 2.655 N/A GLN 90.A N SER 87.A O no hydrogen 2.933 N/A HIS 94.A N ILE 54.A O no hydrogen 3.081 N/A HIS 94.A NE2 GLU 280.A OE2 no hydrogen 2.676 N/A ASN 97.A N GLU 96.A OE2 no hydrogen 3.129 N/A ASN 97.A ND2 GLY 59.A O no hydrogen 3.012 N/A ALA 99.A N ASN 97.A OD1 no hydrogen 3.000 N/A ASN 100.A ND2 GLU 96.A OE2 no hydrogen 2.901 N/A CYS 101.A N ASN 97.A O no hydrogen 3.021 N/A CYS 101.A SG GLU 96.A O no hydrogen 3.902 N/A CYS 101.A SG ASN 97.A O no hydrogen 3.644 N/A VAL 102.A N ASP 98.A O no hydrogen 2.943 N/A GLY 103.A N ALA 99.A O no hydrogen 3.120 N/A LEU 104.A N ASN 100.A O no hydrogen 2.819 N/A SER 105.A N CYS 101.A O no hydrogen 2.857 N/A SER 105.A OG VAL 102.A O no hydrogen 2.547 N/A GLU 106.A N GLY 103.A O no hydrogen 3.136 N/A LEU 107.A N LEU 104.A O no hydrogen 2.798 N/A LEU 108.A N SER 105.A O no hydrogen 3.205 N/A ALA 109.A N SER 105.A O no hydrogen 3.441 N/A HIS 110.A N GLU 106.A O no hydrogen 2.749 N/A LEU 113.A N HIS 110.A O no hydrogen 3.061 N/A ALA 116.A N ILE 129.A O no hydrogen 3.141 N/A ALA 117.A N VAL 221.A O no hydrogen 3.194 N/A CYS 118.A N ALA 128.A O no hydrogen 2.950 N/A CYS 118.A SG SER 223.A O no hydrogen 3.894 N/A VAL 119.A N SER 223.A O no hydrogen 2.865 N/A VAL 120.A N GLY 126.A O no hydrogen 2.869 N/A ILE 121.A N GLY 225.A O no hydrogen 2.833 N/A GLY 122.A N GLY 124.A O no hydrogen 2.815 N/A ILE 125.A N SER 160.A OG no hydrogen 3.088 N/A GLY 126.A N VAL 120.A O no hydrogen 3.091 N/A ALA 128.A N CYS 118.A O no hydrogen 3.141 N/A ILE 130.A N ARG 133.A O no hydrogen 2.781 N/A ASN 131.A N ASN 115.A OD1 no hydrogen 3.267 N/A GLY 132.A N GLU 114.A O no hydrogen 2.807 N/A ARG 133.A N ILE 130.A O no hydrogen 2.983 N/A ARG 133.A NH1 GLN 278.A O no hydrogen 3.167 N/A ARG 136.A NE GLU 96.A OE1 no hydrogen 2.647 N/A ARG 136.A NH2 GLU 96.A OE1 no hydrogen 2.871 N/A ARG 136.A NH2 ASN 275.A OD1 no hydrogen 3.185 N/A ARG 136.A NH2 GLU 279.A OE2 no hydrogen 3.164 N/A GLY 140.A N GLY 137.A O no hydrogen 3.027 N/A GLY 142.A N ARG 136.A O no hydrogen 2.695 N/A GLU 144.A N LEU 141.A O no hydrogen 3.241 N/A TYR 147.A N GLU 144.A O no hydrogen 3.044 N/A ALA 153.A N LYS 155.A O no hydrogen 2.852 N/A ASN 157.A N GLN 161.A OE1 no hydrogen 2.858 N/A ASN 157.A ND2 ALA 151.A O no hydrogen 2.816 N/A ASN 158.A ND2 GLY 146.A O no hydrogen 2.983 N/A TRP 159.A NE1 ASN 205.A O no hydrogen 2.735 N/A SER 160.A N GLY 146.A O no hydrogen 3.136 N/A LEU 162.A N ASN 158.A O no hydrogen 3.257 N/A LEU 162.A N TRP 159.A O no hydrogen 2.894 N/A ALA 163.A N TRP 159.A O no hydrogen 2.745 N/A SER 164.A OG THR 123.A O no hydrogen 2.835 N/A SER 164.A OG SER 160.A O no hydrogen 2.859 N/A GLY 166.A N GLY 122.A O no hydrogen 3.105 N/A ASN 167.A N SER 164.A OG no hydrogen 3.125 N/A ASN 167.A ND2 SER 160.A O no hydrogen 3.117 N/A ASN 167.A ND2 SER 164.A OG no hydrogen 3.053 N/A ARG 169.A N GLY 166.A O no hydrogen 2.790 N/A TYR 170.A N ASN 167.A O no hydrogen 3.127 N/A ILE 172.A N VAL 168.A O no hydrogen 2.829 N/A GLU 173.A N ARG 169.A O no hydrogen 3.059 N/A LYS 174.A N TYR 170.A O no hydrogen 3.220 N/A LYS 174.A NZ TYR 170.A OH no hydrogen 2.727 N/A SER 175.A N VAL 171.A O no hydrogen 2.799 N/A SER 175.A OG VAL 171.A O no hydrogen 2.832 N/A SER 175.A OG ILE 172.A O no hydrogen 3.486 N/A GLY 176.A N ILE 172.A O no hydrogen 3.038 N/A HIS 177.A N SER 175.A OG no hydrogen 3.378 N/A TRP 180.A NE1 SER 175.A OG no hydrogen 2.671 N/A LYS 184.A N ASP 181.A OD1 no hydrogen 2.835 N/A LYS 184.A NZ ASP 179.A O no hydrogen 2.681 N/A LYS 184.A NZ ASP 179.A OD2 no hydrogen 3.341 N/A ILE 185.A N ASP 181.A O no hydrogen 2.956 N/A TYR 186.A N GLY 182.A O no hydrogen 3.194 N/A GLN 187.A N ARG 183.A O no hydrogen 3.306 N/A GLU 188.A N LYS 184.A O no hydrogen 2.886 N/A ALA 189.A N ILE 185.A O no hydrogen 2.939 N/A ALA 190.A N TYR 186.A O no hydrogen 3.057 N/A ALA 191.A N GLU 188.A O no hydrogen 2.994 N/A GLY 192.A N ALA 189.A O no hydrogen 3.272 N/A ASN 193.A N GLU 188.A O no hydrogen 2.913 N/A CYS 196.A N ASN 193.A OD1 no hydrogen 3.231 N/A GLN 197.A N ASN 193.A O no hydrogen 3.195 N/A GLN 197.A NE2 ALA 189.A O no hydrogen 2.868 N/A GLU 198.A N ILE 194.A O no hydrogen 3.084 N/A ALA 199.A N LEU 195.A O no hydrogen 2.960 N/A ILE 200.A N CYS 196.A O no hydrogen 2.968 N/A GLU 201.A N GLN 197.A O no hydrogen 3.068 N/A ARG 202.A N GLU 198.A O no hydrogen 3.065 N/A ARG 204.A N GLU 201.A O no hydrogen 3.114 N/A ARG 204.A NH1 GLU 201.A OE1 no hydrogen 2.654 N/A ASN 205.A N ARG 202.A O no hydrogen 3.046 N/A ASN 205.A ND2 ARG 202.A O no hydrogen 2.521 N/A ALA 207.A N ASN 203.A O no hydrogen 2.878 N/A GLN 208.A N ARG 204.A O no hydrogen 3.236 N/A GLN 208.A NE2 THR 149.A O no hydrogen 3.316 N/A GLY 209.A N ASN 205.A O no hydrogen 3.249 N/A LEU 210.A N LEU 206.A O no hydrogen 2.768 N/A LEU 211.A N ALA 207.A O no hydrogen 3.214 N/A ASN 212.A N GLN 208.A O no hydrogen 3.303 N/A ILE 213.A N GLY 209.A O no hydrogen 3.234 N/A GLN 214.A N LEU 210.A O no hydrogen 2.964 N/A GLN 214.A NE2 ASP 218.A OD1 no hydrogen 2.985 N/A GLN 214.A NE2 PRO 219.A O no hydrogen 3.069 N/A TYR 215.A N LEU 211.A O no hydrogen 3.050 N/A TYR 215.A OH VAL 254.A O no hydrogen 2.874 N/A LEU 216.A N ASN 212.A O no hydrogen 2.813 N/A LEU 216.A N ILE 213.A O no hydrogen 3.137 N/A ILE 217.A N ILE 213.A O no hydrogen 2.923 N/A GLY 220.A N ASN 115.A O no hydrogen 2.727 N/A ILE 222.A N VAL 257.A O no hydrogen 2.643 N/A SER 223.A N ALA 117.A O no hydrogen 2.981 N/A SER 223.A OG GLU 106.A OE1 no hydrogen 2.749 N/A LEU 224.A N GLN 259.A O no hydrogen 2.877 N/A GLY 225.A N VAL 119.A O no hydrogen 2.847 N/A SER 229.A N GLY 226.A O no hydrogen 3.092 N/A SER 229.A OG LEU 224.A O no hydrogen 3.211 N/A SER 229.A OG GLY 226.A O no hydrogen 2.708 N/A GLN 230.A N SER 227.A O no hydrogen 3.197 N/A GLN 230.A NE2 SER 229.A OG no hydrogen 2.993 N/A GLN 230.A NE2 CYS 261.A O no hydrogen 3.253 N/A ASN 231.A N ILE 228.A O no hydrogen 2.980 N/A ASP 233.A N ASN 231.A OD1 no hydrogen 3.064 N/A ILE 235.A N ASN 231.A O no hydrogen 3.170 N/A GLN 236.A N PRO 232.A O no hydrogen 2.891 N/A GLY 237.A N ASP 233.A O no hydrogen 3.027 N/A VAL 238.A N PHE 234.A O no hydrogen 3.015 N/A LYS 239.A N ILE 235.A O no hydrogen 3.100 N/A LYS 239.A NZ ILE 258.A O no hydrogen 2.887 N/A LYS 240.A N GLN 236.A O no hydrogen 3.077 N/A LYS 240.A NZ ASP 244.A OD1 no hydrogen 2.862 N/A ALA 241.A N GLY 237.A O no hydrogen 3.001 N/A VAL 242.A N VAL 238.A O no hydrogen 3.071 N/A GLU 243.A N LYS 239.A O no hydrogen 2.931 N/A ASP 244.A N LYS 240.A O no hydrogen 3.043 N/A PHE 245.A N ALA 241.A O no hydrogen 3.299 N/A VAL 246.A N VAL 242.A O no hydrogen 3.097 N/A ASP 247.A N GLU 243.A O no hydrogen 2.990 N/A ALA 248.A N ASP 244.A O no hydrogen 3.229 N/A TYR 249.A N PHE 245.A O no hydrogen 3.017 N/A TYR 249.A N VAL 246.A O no hydrogen 3.367 N/A GLU 251.A N GLU 251.A OE2 no hydrogen 2.893 N/A TYR 252.A N TYR 249.A O no hydrogen 3.018 N/A THR 253.A N TYR 215.A OH no hydrogen 2.992 N/A GLN 259.A N ILE 222.A O no hydrogen 3.001 N/A GLN 259.A NE2 SER 223.A OG no hydrogen 3.044 N/A CYS 261.A N LEU 224.A O no hydrogen 2.601 N/A THR 262.A N GLU 106.A OE2 no hydrogen 2.953 N/A ALA 267.A N HIS 264.A O no hydrogen 3.105 N/A ASN 268.A ND2 ASP 6.A OD1 no hydrogen 3.449 N/A ASN 268.A ND2 ASP 6.A OD2 no hydrogen 3.055 N/A TYR 270.A N ASP 266.A O no hydrogen 3.078 N/A GLY 271.A N ALA 267.A O no hydrogen 2.750 N/A ALA 272.A N ASN 268.A O no hydrogen 2.846 N/A LEU 273.A N LEU 269.A O no hydrogen 2.973 N/A VAL 274.A N TYR 270.A O no hydrogen 2.948 N/A ASN 275.A N GLY 271.A O no hydrogen 2.875 N/A TRP 276.A N ALA 272.A O no hydrogen 2.980 N/A TRP 276.A NE1 PRO 92.A O no hydrogen 2.998 N/A LEU 277.A N LEU 273.A O no hydrogen 3.054 N/A GLN 278.A N VAL 274.A O no hydrogen 3.099 N/A GLN 278.A NE2 GLY 132.A O no hydrogen 3.184 N/A GLU 279.A N ASN 275.A O no hydrogen 3.038 N/A GLU 280.A N TRP 276.A O no hydrogen 3.011 N/A LYS 281.A N GLN 278.A O no hydrogen 3.235 N/A GLN 282.A N LEU 277.A O no hydrogen 2.924 N/A