Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pge_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N LEU 64.A O no hydrogen 3.089 N/A GLU 4.A N ASP 29.A O no hydrogen 3.136 N/A SER 6.A N ARG 27.A O no hydrogen 2.948 N/A TYR 7.A OH ASP 58.A OD1 no hydrogen 2.561 N/A TYR 7.A OH ASP 58.A OD2 no hydrogen 3.352 N/A ARG 8.A N PHE 25.A O no hydrogen 2.930 N/A ARG 9.A NE ASP 11.A OD1 no hydrogen 2.771 N/A ARG 9.A NE ASP 11.A OD2 no hydrogen 3.322 N/A ARG 9.A NH2 ASP 11.A OD2 no hydrogen 2.988 N/A ARG 9.A NH2 GLU 50.A OE2 no hydrogen 3.083 N/A SER 10.A N THR 23.A O no hydrogen 2.920 N/A LEU 12.A N LYS 21.A O no hydrogen 3.096 N/A ILE 13.A N ASN 341.A OD1 no hydrogen 2.905 N/A PHE 14.A N THR 19.A O no hydrogen 2.818 N/A LYS 15.A N LEU 338.A O no hydrogen 2.820 N/A LYS 21.A N LEU 12.A O no hydrogen 2.835 N/A LYS 21.A NZ SER 40.A OG no hydrogen 2.824 N/A LYS 21.A NZ LEU 309.A O no hydrogen 2.528 N/A THR 23.A N ASP 11.A OD1 no hydrogen 3.127 N/A TRP 24.A N VAL 39.A O no hydrogen 2.937 N/A PHE 25.A N ARG 8.A O no hydrogen 2.913 N/A VAL 26.A N GLY 37.A O no hydrogen 2.966 N/A ARG 27.A N SER 6.A O no hydrogen 2.838 N/A LEU 28.A N GLY 35.A O no hydrogen 2.914 N/A ASP 29.A N GLU 4.A O no hydrogen 2.919 N/A ILE 30.A N HIS 33.A O no hydrogen 2.990 N/A HIS 33.A N ILE 30.A O no hydrogen 3.096 N/A GLY 35.A N LEU 28.A O no hydrogen 2.891 N/A GLN 36.A N ASP 122.A OD2 no hydrogen 2.729 N/A GLY 37.A N VAL 26.A O no hydrogen 2.921 N/A VAL 39.A N TRP 24.A O no hydrogen 2.799 N/A LEU 41.A N PRO 22.A O no hydrogen 3.100 N/A ILE 42.A N SER 46.A OG no hydrogen 2.780 N/A LEU 45.A N ILE 42.A O no hydrogen 2.863 N/A SER 46.A N ILE 42.A O no hydrogen 2.917 N/A GLU 51.A N GLU 51.A OE1 no hydrogen 2.639 N/A GLN 52.A N PRO 49.A O no hydrogen 2.928 N/A GLN 52.A NE2 GLU 51.A OE2 no hydrogen 3.399 N/A ILE 53.A N GLU 50.A O no hydrogen 3.411 N/A GLU 56.A N GLN 52.A O no hydrogen 2.990 N/A LEU 57.A N ILE 53.A O no hydrogen 2.956 N/A ASP 58.A N GLY 54.A O no hydrogen 2.940 N/A LEU 59.A N ARG 55.A O no hydrogen 2.794 N/A LEU 60.A N GLU 56.A O no hydrogen 3.047 N/A ALA 61.A N LEU 57.A O no hydrogen 2.961 N/A ARG 62.A N ASP 58.A O no hydrogen 3.086 N/A ARG 63.A N LEU 59.A O no hydrogen 3.079 N/A LEU 64.A N LEU 60.A O no hydrogen 2.833 N/A ARG 65.A N ALA 61.A O no hydrogen 3.117 N/A ALA 66.A N ARG 62.A O no hydrogen 3.254 N/A ALA 66.A N ARG 63.A O no hydrogen 3.189 N/A ILE 70.A N GLU 68.A O no hydrogen 2.713 N/A ARG 73.A N PRO 69.A O no hydrogen 2.971 N/A ARG 73.A NE ASP 31.A OD2 no hydrogen 2.943 N/A ARG 73.A NH2 ASP 31.A OD1 no hydrogen 3.017 N/A GLN 74.A N ILE 70.A O no hydrogen 3.118 N/A PHE 75.A N ARG 71.A O no hydrogen 2.975 N/A LEU 76.A N LEU 72.A O no hydrogen 2.894 N/A ALA 77.A N ARG 73.A O no hydrogen 3.071 N/A GLU 78.A N GLN 74.A O no hydrogen 2.874 N/A ARG 79.A N PHE 75.A O no hydrogen 2.931 N/A ARG 79.A NE ASP 93.A OD2 no hydrogen 2.648 N/A ARG 79.A NH2 ASP 93.A OD2 no hydrogen 3.081 N/A GLY 80.A N ALA 77.A O no hydrogen 3.197 N/A SER 85.A N ALA 82.A O no hydrogen 3.058 N/A VAL 90.A N ASP 86.A O no hydrogen 3.057 N/A LEU 91.A N TYR 87.A O no hydrogen 2.877 N/A THR 92.A N ARG 88.A O no hydrogen 3.029 N/A THR 92.A OG1 ARG 88.A O no hydrogen 2.861 N/A ASP 93.A N SER 89.A O no hydrogen 3.008 N/A ILE 94.A N VAL 90.A O no hydrogen 2.927 N/A ALA 95.A N LEU 91.A O no hydrogen 2.943 N/A GLY 96.A N THR 92.A O no hydrogen 3.101 N/A ILE 97.A N ASP 93.A O no hydrogen 3.138 N/A LEU 98.A N ILE 94.A O no hydrogen 2.882 N/A ASP 99.A N ALA 95.A O no hydrogen 2.897 N/A SER 100.A N GLY 96.A O no hydrogen 3.063 N/A SER 100.A OG ILE 97.A O no hydrogen 2.582 N/A TRP 101.A N ILE 97.A O no hydrogen 2.914 N/A GLN 102.A N ASP 99.A O no hydrogen 2.893 N/A VAL 103.A N LEU 98.A O no hydrogen 2.934 N/A GLY 107.A N SER 104.A O no hydrogen 3.029 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 3.150 N/A PHE 109.A N SER 104.A OG no hydrogen 2.945 N/A ALA 111.A N ASP 48.A OD1 no hydrogen 3.309 N/A ALA 111.A N ASP 48.A OD2 no hydrogen 2.760 N/A LEU 112.A N ASP 48.A OD2 no hydrogen 3.341 N/A ARG 113.A N PHE 109.A O no hydrogen 3.025 N/A ARG 113.A NH1 ASP 99.A OD1 no hydrogen 2.795 N/A ARG 113.A NH1 VAL 103.A O no hydrogen 2.902 N/A ARG 113.A NH2 ASP 99.A OD1 no hydrogen 3.040 N/A PHE 114.A N PRO 110.A O no hydrogen 2.962 N/A ALA 115.A N ALA 111.A O no hydrogen 2.926 N/A LEU 116.A N LEU 112.A O no hydrogen 3.051 N/A GLU 117.A N ARG 113.A O no hydrogen 3.021 N/A MET 118.A N PHE 114.A O no hydrogen 2.902 N/A ALA 119.A N ALA 115.A O no hydrogen 3.025 N/A LEU 120.A N LEU 116.A O no hydrogen 3.030 N/A LEU 121.A N GLU 117.A O no hydrogen 2.973 N/A ASP 122.A N MET 118.A O no hydrogen 2.993 N/A LEU 123.A N ALA 119.A O no hydrogen 2.909 N/A LEU 124.A N LEU 120.A O no hydrogen 2.945 N/A SER 125.A N LEU 121.A O no hydrogen 3.336 N/A SER 125.A OG LEU 121.A O no hydrogen 3.278 N/A SER 125.A OG GLU 130.A O no hydrogen 2.664 N/A GLY 126.A N LEU 123.A O no hydrogen 3.335 N/A GLY 127.A N ASP 122.A O no hydrogen 2.773 N/A ARG 128.A NH1 GLU 130.A OE1 no hydrogen 3.239 N/A ARG 128.A NH2 SER 125.A O no hydrogen 2.817 N/A ARG 128.A NH2 GLU 130.A OE1 no hydrogen 2.820 N/A GLN 129.A N ASP 122.A OD1 no hydrogen 2.835 N/A TRP 131.A NE1 GLN 36.A O no hydrogen 3.309 N/A PHE 132.A N GLN 320.A OE1 no hydrogen 3.105 N/A ALA 133.A N TYR 87.A OH no hydrogen 3.249 N/A SER 134.A N THR 137.A OG1 no hydrogen 3.042 N/A PHE 136.A N SER 134.A OG no hydrogen 3.110 N/A THR 137.A OG1 SER 134.A O no hydrogen 2.986 N/A ARG 138.A N SER 134.A O no hydrogen 3.166 N/A ARG 138.A N ASP 135.A O no hydrogen 3.136 N/A ARG 138.A NE GLU 140.A OE1 no hydrogen 3.148 N/A ARG 138.A NH2 ASP 135.A OD1 no hydrogen 3.133 N/A GLY 139.A N PHE 136.A O no hydrogen 2.880 N/A GLU 140.A N ASP 135.A O no hydrogen 2.777 N/A ARG 142.A NH1 ASP 350.A OD2 no hydrogen 3.218 N/A ILE 143.A N LEU 354.A O no hydrogen 2.852 N/A VAL 145.A N GLY 352.A O no hydrogen 2.989 N/A ASN 146.A N GLN 331.A O no hydrogen 3.294 N/A ASN 146.A ND2 GLY 147.A O no hydrogen 3.517 N/A GLY 147.A N CYS 171.A O no hydrogen 2.878 N/A ILE 149.A N LYS 173.A O no hydrogen 3.044 N/A TRP 150.A N GLN 160.A OE1 no hydrogen 3.330 N/A MET 157.A N GLU 153.A O no hydrogen 2.918 N/A GLN 158.A N ALA 154.A O no hydrogen 3.100 N/A GLU 159.A N ALA 155.A O no hydrogen 2.940 N/A GLN 160.A N PHE 156.A O no hydrogen 2.794 N/A GLN 160.A NE2 TRP 150.A O no hydrogen 3.064 N/A GLN 160.A NE2 PHE 156.A O no hydrogen 3.686 N/A ILE 161.A N MET 157.A O no hydrogen 3.099 N/A GLU 162.A N GLN 158.A O no hydrogen 2.930 N/A ALA 163.A N GLU 159.A O no hydrogen 2.952 N/A LYS 164.A N GLN 160.A O no hydrogen 2.911 N/A LEU 165.A N ILE 161.A O no hydrogen 2.955 N/A ALA 166.A N GLU 162.A O no hydrogen 2.997 N/A GLU 167.A N ALA 163.A O no hydrogen 2.892 N/A GLY 168.A N LEU 165.A O no hydrogen 2.981 N/A TYR 169.A N LYS 164.A O no hydrogen 2.949 N/A CYS 171.A SG GLU 198.A O no hydrogen 3.982 N/A CYS 171.A SG GLU 198.A OE1 no hydrogen 3.342 N/A LEU 172.A N GLU 198.A O no hydrogen 2.851 N/A LYS 173.A N GLY 147.A O no hydrogen 2.731 N/A LYS 173.A NZ ASP 202.A OD2 no hydrogen 3.015 N/A LEU 174.A N ARG 200.A O no hydrogen 2.943 N/A ILE 176.A N ASP 202.A O no hydrogen 2.832 N/A GLU 181.A N ASP 177.A O no hydrogen 3.269 N/A CYS 182.A N PHE 178.A O no hydrogen 2.783 N/A CYS 182.A SG PHE 178.A O no hydrogen 3.812 N/A ALA 183.A N ASP 179.A O no hydrogen 3.044 N/A LEU 184.A N LYS 180.A O no hydrogen 2.947 N/A LEU 185.A N GLU 181.A O no hydrogen 2.882 N/A ALA 186.A N CYS 182.A O no hydrogen 2.739 N/A GLY 187.A N ALA 183.A O no hydrogen 2.809 N/A ILE 188.A N LEU 184.A O no hydrogen 2.844 N/A ARG 189.A N LEU 185.A O no hydrogen 2.947 N/A ARG 189.A NE PHE 222.A O no hydrogen 2.844 N/A ARG 189.A NH1 PHE 192.A O no hydrogen 3.018 N/A ARG 189.A NH1 LEU 197.A O no hydrogen 2.918 N/A ARG 189.A NH2 LEU 197.A O no hydrogen 3.208 N/A ARG 189.A NH2 HIS 223.A O no hydrogen 2.889 N/A GLU 190.A N GLY 187.A O no hydrogen 3.179 N/A SER 191.A N ILE 188.A O no hydrogen 3.152 N/A PHE 192.A N ILE 188.A O no hydrogen 2.873 N/A GLN 196.A N SER 193.A OG no hydrogen 3.388 N/A LEU 197.A N SER 193.A O no hydrogen 2.794 N/A GLU 198.A N GLY 170.A O no hydrogen 2.889 N/A ARG 200.A N LEU 172.A O no hydrogen 3.050 N/A ARG 200.A NH1 PRO 330.A O no hydrogen 3.187 N/A ARG 200.A NH2 PRO 330.A O no hydrogen 2.986 N/A VAL 201.A N SER 226.A O no hydrogen 3.038 N/A ASP 202.A N LEU 174.A O no hydrogen 2.816 N/A ALA 203.A N GLU 228.A O no hydrogen 3.092 N/A ASN 204.A N ASP 202.A OD1 no hydrogen 3.062 N/A GLY 205.A N GLN 229.A O no hydrogen 2.584 N/A ALA 206.A N ALA 203.A O no hydrogen 2.936 N/A PHE 207.A N PRO 230.A O no hydrogen 2.977 N/A SER 208.A N ASN 211.A OD1 no hydrogen 2.947 N/A ASN 211.A N SER 208.A OG no hydrogen 3.226 N/A ALA 212.A N SER 208.A O no hydrogen 2.953 N/A ARG 215.A N ASN 211.A O no hydrogen 2.999 N/A LEU 216.A N ALA 212.A O no hydrogen 2.771 N/A LYS 217.A N PRO 213.A O no hydrogen 3.033 N/A ARG 218.A N GLN 214.A O no hydrogen 2.893 N/A LEU 219.A N ARG 215.A O no hydrogen 2.836 N/A SER 220.A N LEU 216.A O no hydrogen 3.055 N/A SER 220.A OG LEU 216.A O no hydrogen 3.313 N/A SER 220.A OG LYS 217.A O no hydrogen 2.393 N/A PHE 222.A N LEU 219.A O no hydrogen 2.983 N/A HIS 223.A N SER 220.A O no hydrogen 3.441 N/A HIS 225.A N ILE 199.A O no hydrogen 2.835 N/A HIS 225.A ND1 SER 226.A OG no hydrogen 2.859 N/A SER 226.A OG HIS 225.A ND1 no hydrogen 2.859 N/A ILE 227.A N ALA 249.A O no hydrogen 3.016 N/A GLU 228.A N VAL 201.A O no hydrogen 2.889 N/A GLN 229.A N ALA 251.A O no hydrogen 2.843 N/A GLN 229.A NE2 ILE 231.A O no hydrogen 3.049 N/A GLN 229.A NE2 GLU 255.A OE1 no hydrogen 3.066 N/A GLN 233.A N GLN 233.A OE1 no hydrogen 2.665 N/A HIS 234.A N GLU 255.A OE2 no hydrogen 2.833 N/A GLN 235.A NE2 ARG 232.A O no hydrogen 2.796 N/A GLU 238.A N GLU 238.A OE1 no hydrogen 2.584 N/A MET 239.A N GLN 235.A O no hydrogen 2.891 N/A ALA 240.A N TRP 236.A O no hydrogen 2.764 N/A ALA 241.A N SER 237.A O no hydrogen 3.288 N/A LEU 242.A N GLU 238.A O no hydrogen 3.081 N/A CYS 243.A N MET 239.A O no hydrogen 2.866 N/A CYS 243.A SG MET 239.A O no hydrogen 3.438 N/A ALA 244.A N ALA 240.A O no hydrogen 3.027 N/A ASN 245.A N ALA 241.A O no hydrogen 3.108 N/A ASN 245.A ND2 ALA 241.A O no hydrogen 2.781 N/A SER 246.A N LEU 242.A O no hydrogen 2.954 N/A SER 246.A OG LEU 248.A O no hydrogen 2.742 N/A LEU 248.A N SER 246.A OG no hydrogen 2.993 N/A ILE 250.A N GLN 274.A OE1 no hydrogen 2.865 N/A ALA 251.A N ILE 227.A O no hydrogen 3.050 N/A LEU 252.A N TYR 275.A O no hydrogen 3.041 N/A ASP 253.A N GLN 229.A OE1 no hydrogen 3.053 N/A GLU 255.A N GLN 229.A OE1 no hydrogen 3.225 N/A LEU 256.A N ASP 253.A O no hydrogen 3.209 N/A ILE 257.A N GLU 254.A O no hydrogen 3.113 N/A LEU 259.A N LEU 256.A O no hydrogen 3.236 N/A GLY 260.A N GLN 263.A OE1 no hydrogen 2.902 N/A GLN 263.A N GLY 260.A O no hydrogen 2.925 N/A ARG 264.A N ALA 261.A O no hydrogen 3.003 N/A ARG 264.A NE ALA 261.A O no hydrogen 2.978 N/A ARG 264.A NH1 GLN 291.A OE1 no hydrogen 2.770 N/A ARG 264.A NH2 GLN 291.A OE1 no hydrogen 3.568 N/A SER 265.A OG GLU 262.A O no hydrogen 3.060 N/A ALA 266.A N GLU 262.A O no hydrogen 3.049 N/A MET 267.A N GLN 263.A O no hydrogen 3.058 N/A LEU 268.A N ARG 264.A O no hydrogen 3.197 N/A ASP 269.A N SER 265.A O no hydrogen 2.794 N/A ALA 270.A N ALA 266.A O no hydrogen 2.962 N/A ILE 271.A N MET 267.A O no hydrogen 2.955 N/A ARG 272.A N LEU 268.A O no hydrogen 2.855 N/A GLN 274.A N ILE 250.A O no hydrogen 3.141 N/A GLN 274.A NE2 CYS 243.A O no hydrogen 3.460 N/A TYR 275.A N ILE 250.A O no hydrogen 3.074 N/A ILE 276.A N GLY 302.A O no hydrogen 3.143 N/A ILE 277.A N LEU 252.A O no hydrogen 2.827 N/A LEU 278.A N TRP 304.A O no hydrogen 2.937 N/A LYS 279.A NZ ASP 253.A OD2 no hydrogen 2.940 N/A SER 281.A OG GLU 310.A OE2 no hydrogen 2.763 N/A LEU 282.A N LYS 279.A O no hydrogen 2.976 N/A LEU 283.A N LYS 279.A O no hydrogen 3.258 N/A LEU 283.A N PRO 280.A O no hydrogen 3.129 N/A GLY 285.A N PRO 280.A O no hydrogen 2.795 N/A PHE 286.A N GLU 117.A OE1 no hydrogen 2.698 N/A HIS 287.A N GLU 117.A OE2 no hydrogen 3.048 N/A ALA 289.A N GLY 285.A O no hydrogen 2.878 N/A GLY 290.A N PHE 286.A O no hydrogen 2.743 N/A GLN 291.A N HIS 287.A O no hydrogen 3.117 N/A TRP 292.A N TYR 288.A O no hydrogen 3.032 N/A ILE 293.A N ALA 289.A O no hydrogen 3.087 N/A GLU 294.A N GLY 290.A O no hydrogen 3.158 N/A LEU 295.A N GLN 291.A O no hydrogen 3.035 N/A ALA 296.A N TRP 292.A O no hydrogen 2.938 N/A ARG 297.A N ILE 293.A O no hydrogen 2.841 N/A ARG 297.A NH1 GLU 294.A OE2 no hydrogen 2.896 N/A GLU 298.A N GLU 294.A O no hydrogen 2.999 N/A ARG 299.A N ALA 296.A O no hydrogen 2.969 N/A ARG 299.A NE ASP 269.A OD1 no hydrogen 2.781 N/A ARG 299.A NH1 LEU 295.A O no hydrogen 2.899 N/A GLY 300.A N ARG 297.A O no hydrogen 3.218 N/A ILE 301.A N ALA 296.A O no hydrogen 2.884 N/A GLY 302.A N GLN 274.A O no hydrogen 2.946 N/A TRP 304.A N ILE 276.A O no hydrogen 3.426 N/A ILE 305.A N GLN 331.A OE1 no hydrogen 2.877 N/A THR 306.A N LEU 278.A O no hydrogen 2.938 N/A THR 306.A OG1 SER 307.A O no hydrogen 3.296 N/A SER 307.A N GLY 332.A O no hydrogen 2.915 N/A SER 307.A OG GLY 332.A O no hydrogen 3.374 N/A ALA 308.A N GLU 310.A OE1 no hydrogen 2.607 N/A GLU 310.A N GLU 310.A OE1 no hydrogen 2.715 N/A SER 311.A N GLU 38.A OE2 no hydrogen 2.951 N/A SER 311.A OG GLU 38.A OE1 no hydrogen 2.501 N/A ASN 312.A ND2 LEU 343.A O no hydrogen 2.741 N/A LEU 313.A N SER 311.A OG no hydrogen 3.094 N/A GLY 314.A N GLU 38.A OE1 no hydrogen 2.964 N/A LEU 315.A N SER 311.A O no hydrogen 2.941 N/A ALA 316.A N ASN 312.A O no hydrogen 3.064 N/A ALA 317.A N LEU 313.A O no hydrogen 3.127 N/A ILE 318.A N GLY 314.A O no hydrogen 2.968 N/A ALA 319.A N LEU 315.A O no hydrogen 2.884 N/A GLN 320.A N ALA 316.A O no hydrogen 2.915 N/A GLN 320.A NE2 GLN 129.A O no hydrogen 3.116 N/A TRP 321.A N ALA 317.A O no hydrogen 3.080 N/A THR 322.A N ILE 318.A O no hydrogen 2.891 N/A THR 322.A OG1 ILE 318.A O no hydrogen 2.630 N/A ALA 323.A N ALA 319.A O no hydrogen 2.966 N/A LEU 324.A N TRP 321.A O no hydrogen 3.005 N/A TYR 325.A N THR 322.A O no hydrogen 2.988 N/A GLN 326.A N ALA 323.A O no hydrogen 3.097 N/A GLN 331.A N PRO 144.A O no hydrogen 2.886 N/A GLN 331.A NE2 MET 329.A O no hydrogen 2.857 N/A GLY 332.A N ILE 305.A O no hydrogen 2.811 N/A LEU 333.A N GLN 331.A O no hydrogen 2.860 N/A THR 335.A OG1 LEU 347.A O no hydrogen 3.404 N/A TYR 339.A OH LEU 309.A O no hydrogen 2.606 N/A THR 340.A N ILE 13.A O no hydrogen 2.887 N/A ASN 341.A ND2 ASP 11.A O no hydrogen 3.057 N/A ALA 348.A N GLY 355.A O no hydrogen 2.975 N/A ASP 350.A N LEU 353.A O no hydrogen 3.252 N/A GLY 351.A N GLU 167.A O no hydrogen 3.188 N/A LEU 354.A N ILE 143.A O no hydrogen 2.677 N/A GLY 355.A N ALA 348.A O no hydrogen 3.027 N/A