Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3naq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG GLY 40.A O no hydrogen 2.945 N/A LYS 3.A N HIS 41.A ND1 no hydrogen 2.922 N/A LYS 4.A N HIS 64.A ND1 no hydrogen 2.864 N/A LYS 4.A NZ HIS 59.A ND1 no hydrogen 2.866 N/A LYS 4.A NZ ASP 62.A OD1 no hydrogen 2.748 N/A ILE 5.A N GLN 42.A O no hydrogen 2.792 N/A VAL 6.A N VAL 65.A O no hydrogen 2.839 N/A GLY 7.A N ILE 44.A O no hydrogen 2.747 N/A VAL 8.A N ILE 67.A O no hydrogen 2.805 N/A PHE 9.A N THR 46.A O no hydrogen 3.205 N/A LYS 11.A NZ ASN 13.A OD1 no hydrogen 3.443 N/A ALA 12.A N GLU 27.A OE1 no hydrogen 2.857 N/A ASN 13.A N GLU 27.A OE2 no hydrogen 2.875 N/A GLU 14.A N GLU 14.A OE2 no hydrogen 2.749 N/A TYR 15.A N ALA 12.A O no hydrogen 2.969 N/A ALA 16.A N ASN 13.A O no hydrogen 3.022 N/A THR 17.A N GLU 14.A O no hydrogen 3.149 N/A THR 17.A OG1 GLU 14.A O no hydrogen 2.793 N/A LYS 18.A N GLU 14.A O no hydrogen 2.891 N/A ASN 19.A N TYR 15.A O no hydrogen 2.976 N/A ASN 21.A N ASN 19.A OD1 no hydrogen 2.898 N/A PHE 22.A N ASN 19.A O no hydrogen 2.869 N/A GLY 24.A N GLN 314.A OE1 no hydrogen 2.750 N/A CYS 25.A N LEU 23.A O no hydrogen 2.872 N/A CYS 25.A SG PHE 22.A O no hydrogen 3.157 N/A CYS 25.A SG GLU 27.A OE1 no hydrogen 3.469 N/A VAL 26.A N TYR 10.A O no hydrogen 2.838 N/A GLU 27.A N GLU 27.A OE1 no hydrogen 2.804 N/A ASN 28.A ND2 ALA 16.A O no hydrogen 3.213 N/A ASN 28.A ND2 ASN 19.A O no hydrogen 3.453 N/A ASN 28.A ND2 PHE 22.A O no hydrogen 2.914 N/A ALA 29.A N CYS 25.A O no hydrogen 2.729 N/A LEU 30.A N LEU 23.A O no hydrogen 2.795 N/A GLY 31.A N ASN 28.A O no hydrogen 2.850 N/A ARG 33.A NH1 GLU 37.A OE2 no hydrogen 2.969 N/A ARG 33.A NH1 TYR 43.A O no hydrogen 2.833 N/A ARG 33.A NH2 TYR 43.A O no hydrogen 3.507 N/A LEU 36.A N ILE 32.A O no hydrogen 2.856 N/A GLU 37.A N ARG 33.A O no hydrogen 2.959 N/A SER 38.A N ASP 34.A O no hydrogen 2.909 N/A SER 38.A OG TRP 35.A O no hydrogen 2.566 N/A GLN 39.A N TRP 35.A O no hydrogen 3.132 N/A GLN 39.A N LEU 36.A O no hydrogen 3.127 N/A GLY 40.A N GLU 37.A O no hydrogen 2.894 N/A HIS 41.A N LEU 36.A O no hydrogen 3.073 N/A GLN 42.A N LYS 3.A O no hydrogen 2.975 N/A TYR 43.A OH ALA 29.A O no hydrogen 2.756 N/A ILE 44.A N ILE 5.A O no hydrogen 2.790 N/A THR 46.A N GLY 7.A O no hydrogen 2.952 N/A ASP 48.A N THR 46.A OG1 no hydrogen 2.966 N/A LYS 49.A NZ PRO 73.A O no hydrogen 2.602 N/A CYS 54.A N GLY 51.A O no hydrogen 3.470 N/A CYS 54.A SG ASP 48.A O no hydrogen 3.540 N/A CYS 54.A SG GLY 51.A O no hydrogen 3.252 N/A GLU 55.A N ASP 48.A OD2 no hydrogen 2.913 N/A LEU 56.A N ASP 48.A O no hydrogen 3.023 N/A GLU 57.A N CYS 54.A O no hydrogen 2.983 N/A LYS 58.A N GLU 55.A O no hydrogen 2.908 N/A LYS 58.A NZ GLU 55.A OE1 no hydrogen 2.769 N/A HIS 59.A N LEU 56.A O no hydrogen 2.887 N/A HIS 59.A NE2 GLU 55.A OE2 no hydrogen 2.693 N/A ILE 60.A N LEU 56.A O no hydrogen 2.953 N/A ASP 62.A N HIS 59.A O no hydrogen 3.157 N/A LEU 63.A N HIS 59.A O no hydrogen 2.979 N/A HIS 64.A N LYS 4.A O no hydrogen 2.859 N/A VAL 65.A N LYS 4.A O no hydrogen 3.255 N/A LEU 66.A N LEU 89.A O no hydrogen 2.952 N/A ILE 67.A N VAL 6.A O no hydrogen 2.832 N/A SER 68.A N LEU 91.A O no hydrogen 3.102 N/A PHE 71.A N THR 69.A OG1 no hydrogen 3.115 N/A HIS 72.A N THR 69.A O no hydrogen 3.469 N/A HIS 72.A NE2 ASP 47.A O no hydrogen 2.712 N/A ALA 74.A N SER 68.A OG no hydrogen 3.193 N/A VAL 76.A N HIS 99.A O no hydrogen 2.841 N/A ARG 80.A N THR 77.A OG1 no hydrogen 3.043 N/A ARG 80.A NE GLU 57.A OE1 no hydrogen 2.698 N/A ARG 80.A NH1 TYR 75.A O no hydrogen 2.790 N/A ARG 80.A NH2 LYS 49.A O no hydrogen 2.712 N/A ARG 80.A NH2 GLU 57.A OE1 no hydrogen 3.251 N/A ILE 81.A N THR 77.A O no hydrogen 2.892 N/A LYS 82.A N ALA 78.A O no hydrogen 2.921 N/A LYS 83.A N ARG 80.A O no hydrogen 3.130 N/A ALA 84.A N ILE 81.A O no hydrogen 3.013 N/A LYS 85.A N PRO 61.A O no hydrogen 3.023 N/A ASN 86.A ND2 ASP 62.A O no hydrogen 3.024 N/A LYS 88.A N HIS 64.A O no hydrogen 2.845 N/A LYS 88.A NZ GLY 109.A O no hydrogen 2.788 N/A LYS 88.A NZ ASP 343.A OD1 no hydrogen 2.729 N/A LEU 89.A N HIS 64.A O no hydrogen 3.164 N/A LEU 90.A N THR 111.A O no hydrogen 2.808 N/A LEU 91.A N LEU 66.A O no hydrogen 3.046 N/A THR 92.A N ALA 113.A O no hydrogen 2.907 N/A THR 92.A OG1 GLY 96.A O no hydrogen 3.425 N/A ALA 93.A N SER 68.A O no hydrogen 2.890 N/A GLY 96.A N GLU 114.A OE1 no hydrogen 2.712 N/A ILE 100.A N SER 97.A O no hydrogen 2.973 N/A ASP 101.A N VAL 76.A O no hydrogen 2.877 N/A ALA 104.A N ASP 101.A OD2 no hydrogen 2.913 N/A ALA 105.A N ASP 101.A O no hydrogen 2.892 N/A ALA 106.A N LEU 102.A O no hydrogen 2.872 N/A ALA 107.A N GLN 103.A O no hydrogen 2.849 N/A ALA 108.A N ALA 104.A O no hydrogen 3.009 N/A ALA 108.A N ALA 105.A O no hydrogen 3.159 N/A GLY 109.A N ALA 106.A O no hydrogen 2.934 N/A LEU 110.A N ALA 105.A O no hydrogen 2.937 N/A THR 111.A N LYS 88.A O no hydrogen 2.933 N/A VAL 112.A N VAL 341.A O no hydrogen 2.844 N/A ALA 113.A N LEU 90.A O no hydrogen 2.934 N/A GLU 114.A N ASN 338.A O no hydrogen 2.916 N/A VAL 115.A N GLY 94.A O no hydrogen 3.053 N/A THR 116.A OG1 GLU 337.A O no hydrogen 2.753 N/A SER 118.A N VAL 115.A O no hydrogen 3.310 N/A SER 118.A OG.A VAL 115.A O no hydrogen 2.463 N/A VAL 123.A N ASN 119.A O no hydrogen 3.043 N/A ALA 124.A N VAL 120.A O no hydrogen 3.090 N/A GLU 125.A N VAL 121.A O no hydrogen 2.888 N/A ASP 126.A N SER 122.A O no hydrogen 3.103 N/A GLU 127.A N VAL 123.A O no hydrogen 2.873 N/A LEU 128.A N ALA 124.A O no hydrogen 3.011 N/A MET 129.A N GLU 125.A O no hydrogen 2.869 N/A ARG 130.A N ASP 126.A O no hydrogen 3.015 N/A ARG 130.A NE ASP 126.A OD2 no hydrogen 2.805 N/A ARG 130.A NH1 SER 279.A OG no hydrogen 3.129 N/A ARG 130.A NH2 ASP 126.A OD2 no hydrogen 2.964 N/A ARG 130.A NH2 THR 303.A OG1 no hydrogen 2.736 N/A ILE 131.A N GLU 127.A O no hydrogen 2.930 N/A LEU 132.A N LEU 128.A O no hydrogen 3.128 N/A ILE 133.A N MET 129.A O no hydrogen 2.828 N/A LEU 134.A N ARG 130.A O no hydrogen 2.927 N/A MET 135.A N ILE 131.A O no hydrogen 2.840 N/A ARG 136.A N LEU 132.A O no hydrogen 2.799 N/A ARG 136.A NH1 ASP 161.A OD1 no hydrogen 2.838 N/A ASN 137.A N LEU 134.A O no hydrogen 3.218 N/A ASN 137.A ND2 ILE 155.A O no hydrogen 2.911 N/A PHE 138.A N ILE 133.A O no hydrogen 3.050 N/A TYR 142.A N PHE 138.A O no hydrogen 2.797 N/A ASN 143.A N VAL 139.A O no hydrogen 2.874 N/A GLN 144.A N PRO 140.A O no hydrogen 3.119 N/A GLN 144.A NE2 ASN 151.A O no hydrogen 2.892 N/A VAL 145.A N GLY 141.A O no hydrogen 3.355 N/A VAL 146.A N TYR 142.A O no hydrogen 3.359 N/A LYS 147.A N ASN 143.A O no hydrogen 3.259 N/A GLY 148.A N VAL 145.A O no hydrogen 3.207 N/A GLU 149.A N GLN 144.A O no hydrogen 2.835 N/A ASN 151.A N GLN 144.A OE1 no hydrogen 2.813 N/A GLY 154.A N ASN 151.A OD1 no hydrogen 3.269 N/A ILE 155.A N VAL 152.A O no hydrogen 2.939 N/A ALA 156.A N VAL 152.A O no hydrogen 2.776 N/A TYR 157.A N ALA 153.A O no hydrogen 3.165 N/A ARG 158.A N ILE 155.A O no hydrogen 3.314 N/A ALA 159.A N ALA 156.A O no hydrogen 3.026 N/A TYR 160.A N MET 135.A O no hydrogen 2.905 N/A GLY 164.A N GLY 187.A O no hydrogen 2.871 N/A LYS 165.A N LEU 162.A O no hydrogen 3.092 N/A LYS 165.A NZ ASP 161.A O no hydrogen 2.756 N/A LYS 165.A NZ GLU 163.A O no hydrogen 3.070 N/A THR 166.A N ASP 222.A OD2 no hydrogen 2.788 N/A THR 166.A OG1 ASN 189.A OD1 no hydrogen 3.192 N/A ILE 167.A N ASN 189.A O no hydrogen 2.909 N/A GLY 168.A N VAL 223.A O no hydrogen 2.920 N/A THR 169.A N LEU 191.A O no hydrogen 2.981 N/A THR 169.A OG1 GLY 171.A O no hydrogen 2.705 N/A THR 169.A OG1 VAL 225.A O no hydrogen 3.532 N/A VAL 170.A N VAL 225.A O no hydrogen 2.805 N/A GLY 171.A N HIS 193.A O no hydrogen 2.627 N/A ALA 172.A N ASP 194.A OD1 no hydrogen 2.985 N/A LYS 177.A N GLY 173.A O no hydrogen 2.864 N/A LEU 178.A N ARG 174.A O no hydrogen 3.000 N/A LEU 179.A N ILE 175.A O no hydrogen 2.984 N/A LEU 180.A N GLY 176.A O no hydrogen 2.972 N/A GLN 181.A N LYS 177.A O no hydrogen 2.999 N/A ARG 182.A N LEU 178.A O no hydrogen 3.057 N/A ARG 182.A NH1 LEU 178.A O no hydrogen 2.969 N/A LEU 183.A N LEU 179.A O no hydrogen 2.817 N/A LYS 184.A N LEU 180.A O no hydrogen 3.038 N/A PHE 186.A N LEU 183.A O no hydrogen 2.905 N/A GLY 187.A N LYS 184.A O no hydrogen 3.385 N/A CYS 188.A SG LEU 162.A O no hydrogen 3.429 N/A ASN 189.A N LYS 165.A O no hydrogen 2.842 N/A LEU 191.A N ILE 167.A O no hydrogen 2.836 N/A TYR 192.A N LYS 209.A O no hydrogen 2.981 N/A TYR 192.A OH GLU 203.A OE2 no hydrogen 2.486 N/A HIS 193.A N THR 169.A O no hydrogen 3.054 N/A HIS 193.A ND1 VAL 211.A O no hydrogen 2.813 N/A ARG 195.A N ASP 194.A OD2 no hydrogen 2.355 N/A GLN 197.A NE2 GLU 203.A OE2 no hydrogen 3.021 N/A MET 198.A N TYR 192.A OH no hydrogen 2.801 N/A LEU 202.A N ALA 199.A O no hydrogen 2.970 N/A GLU 203.A N ALA 199.A O no hydrogen 3.040 N/A LYS 204.A N PRO 200.A O no hydrogen 2.807 N/A GLU 205.A N GLU 201.A O no hydrogen 2.891 N/A THR 206.A N LEU 202.A O no hydrogen 2.924 N/A THR 206.A OG1 LEU 202.A O no hydrogen 2.939 N/A THR 206.A OG1 GLU 203.A O no hydrogen 3.473 N/A ALA 208.A N THR 206.A OG1 no hydrogen 2.991 N/A LYS 209.A N LEU 190.A O no hydrogen 2.872 N/A VAL 211.A N TYR 192.A O no hydrogen 2.781 N/A ASN 215.A N ASP 213.A OD1 no hydrogen 2.970 N/A GLU 216.A N ASP 213.A O no hydrogen 3.042 N/A GLU 216.A N ASP 213.A OD1 no hydrogen 3.374 N/A MET 217.A N ASP 213.A O no hydrogen 3.006 N/A LEU 218.A N LEU 214.A O no hydrogen 2.922 N/A LYS 220.A N MET 217.A O no hydrogen 3.070 N/A CYS 221.A N LEU 218.A O no hydrogen 3.179 N/A CYS 221.A SG MET 217.A O no hydrogen 3.476 N/A ASP 222.A N THR 166.A O no hydrogen 2.854 N/A VAL 223.A N THR 166.A O no hydrogen 3.163 N/A ILE 224.A N LEU 251.A O no hydrogen 2.794 N/A VAL 225.A N GLY 168.A O no hydrogen 2.834 N/A ILE 226.A N VAL 253.A O no hydrogen 2.895 N/A ASN 227.A N VAL 170.A O no hydrogen 2.751 N/A ASN 227.A ND2 GLU 127.A OE1 no hydrogen 2.945 N/A ASN 227.A ND2 THR 169.A OG1 no hydrogen 2.930 N/A THR 231.A N THR 234.A OG1 no hydrogen 2.891 N/A THR 234.A N THR 231.A OG1 no hydrogen 3.142 N/A THR 234.A OG1 PRO 229.A O no hydrogen 2.705 N/A ARG 235.A N THR 231.A O no hydrogen 2.891 N/A GLY 236.A N ALA 259.A O no hydrogen 2.733 N/A MET 237.A N THR 234.A O no hydrogen 3.073 N/A PHE 238.A N ILE 260.A O no hydrogen 3.212 N/A LEU 242.A N ASN 239.A OD1 no hydrogen 3.026 N/A ILE 243.A N ASN 239.A O no hydrogen 2.780 N/A GLY 244.A N LYS 240.A O no hydrogen 2.807 N/A LYS 245.A N LEU 242.A O no hydrogen 2.943 N/A LEU 246.A N ILE 243.A O no hydrogen 2.983 N/A LYS 247.A NZ ASP 222.A OD1 no hydrogen 2.808 N/A GLY 249.A N HIS 274.A O no hydrogen 2.804 N/A VAL 250.A N LYS 247.A O no hydrogen 3.030 N/A LEU 251.A N ASP 222.A O no hydrogen 2.926 N/A ILE 252.A N GLY 277.A O no hydrogen 2.902 N/A VAL 253.A N ILE 224.A O no hydrogen 2.887 N/A ASN 254.A N SER 279.A O no hydrogen 2.812 N/A ASN 254.A ND2 ARG 257.A O no hydrogen 2.932 N/A ASN 254.A ND2 TYR 278.A OH no hydrogen 3.048 N/A ASN 255.A ND2 ASP 126.A OD2 no hydrogen 2.797 N/A ALA 256.A N ASN 254.A OD1 no hydrogen 2.959 N/A ILE 260.A N ARG 257.A O no hydrogen 3.389 N/A MET 261.A N GLY 258.A O no hydrogen 3.055 N/A GLU 262.A N PHE 238.A O no hydrogen 3.015 N/A GLN 264.A NE2 ASP 268.A OD2 no hydrogen 3.044 N/A VAL 266.A N GLU 262.A O no hydrogen 3.158 N/A VAL 267.A N ARG 263.A O no hydrogen 3.300 N/A ASP 268.A N GLN 264.A O no hydrogen 2.834 N/A ALA 269.A N ALA 265.A O no hydrogen 3.093 N/A VAL 270.A N VAL 266.A O no hydrogen 2.922 N/A GLU 271.A N VAL 267.A O no hydrogen 2.849 N/A SER 272.A N ASP 268.A O no hydrogen 2.938 N/A SER 272.A OG ALA 269.A O no hydrogen 3.202 N/A GLY 273.A N VAL 270.A O no hydrogen 3.157 N/A HIS 274.A N SER 272.A OG no hydrogen 3.158 N/A HIS 274.A NE2 LEU 246.A O no hydrogen 2.635 N/A ILE 275.A N ALA 269.A O no hydrogen 2.814 N/A GLY 276.A N VAL 250.A O no hydrogen 2.731 N/A SER 279.A N ILE 252.A O no hydrogen 2.882 N/A SER 279.A OG ALA 301.A O no hydrogen 2.685 N/A ASP 281.A N ASN 255.A OD1 no hydrogen 3.054 N/A TRP 283.A N GLN 286.A OE1 no hydrogen 2.804 N/A TRP 283.A NE1 THR 303.A O no hydrogen 2.919 N/A HIS 292.A N PRO 289.A O no hydrogen 2.919 N/A HIS 292.A NE2 ASP 284.A O no hydrogen 2.856 N/A TRP 294.A N HIS 292.A ND1 no hydrogen 3.128 N/A TRP 294.A NE1 ARG 263.A O no hydrogen 2.983 N/A ARG 295.A N HIS 292.A O no hydrogen 2.974 N/A ARG 295.A NE PRO 289.A O no hydrogen 2.666 N/A ARG 295.A NH2 ALA 288.A O no hydrogen 2.769 N/A ARG 295.A NH2 PRO 289.A O no hydrogen 3.529 N/A TYR 296.A N PRO 293.A O no hydrogen 3.137 N/A TYR 296.A OH LYS 290.A O no hydrogen 2.618 N/A ALA 301.A N TYR 278.A O no hydrogen 2.975 N/A MET 302.A N GLN 300.A OE1 no hydrogen 2.871 N/A THR 303.A N GLY 280.A O no hydrogen 3.095 N/A THR 303.A OG1 PRO 304.A O no hydrogen 2.861 N/A SER 307.A N ASP 281.A OD2 no hydrogen 2.892 N/A SER 307.A OG ASP 281.A OD2 no hydrogen 2.649 N/A THR 309.A N THR 306.A O no hydrogen 2.932 N/A ALA 313.A N THR 310.A OG1 no hydrogen 3.164 N/A GLN 314.A N THR 310.A O no hydrogen 2.875 N/A GLN 314.A NE2 THR 309.A O no hydrogen 2.913 N/A LEU 315.A N ILE 311.A O no hydrogen 2.900 N/A ARG 316.A N ASP 312.A O no hydrogen 3.200 N/A ARG 316.A NE SER 118.A O no hydrogen 2.787 N/A ARG 316.A NH2 SER 118.A O no hydrogen 3.301 N/A TYR 317.A N ALA 313.A O no hydrogen 2.861 N/A TYR 317.A OH GLY 308.A O no hydrogen 2.484 N/A ALA 318.A N GLN 314.A O no hydrogen 2.851 N/A ALA 319.A N LEU 315.A O no hydrogen 2.928 N/A GLY 320.A N ARG 316.A O no hydrogen 2.856 N/A THR 321.A N TYR 317.A O no hydrogen 2.921 N/A THR 321.A OG1 TYR 317.A O no hydrogen 2.710 N/A LYS 322.A N ALA 318.A O no hydrogen 2.907 N/A ASP 323.A N ALA 319.A O no hydrogen 2.918 N/A MET 324.A N GLY 320.A O no hydrogen 2.949 N/A LEU 325.A N THR 321.A O no hydrogen 2.848 N/A GLU 326.A N LYS 322.A O no hydrogen 2.912 N/A ARG 327.A N ASP 323.A O no hydrogen 2.961 N/A ARG 327.A NE ASP 323.A OD2 no hydrogen 2.939 N/A ARG 327.A NH1 ASP 333.A O no hydrogen 2.903 N/A ARG 327.A NH2 ASP 323.A OD1 no hydrogen 3.266 N/A TYR 328.A N MET 324.A O no hydrogen 2.776 N/A PHE 329.A N LEU 325.A O no hydrogen 2.845 N/A LYS 330.A N GLU 326.A O no hydrogen 3.012 N/A LYS 330.A NZ GLU 326.A OE2.B no hydrogen 2.966 N/A GLY 331.A N TYR 328.A O no hydrogen 3.220 N/A GLU 332.A N ARG 327.A O no hydrogen 2.815 N/A PHE 334.A N TYR 339.A OH no hydrogen 2.816 N/A GLU 337.A N GLU 337.A OE1 no hydrogen 2.763 N/A ASN 338.A N PRO 335.A O no hydrogen 2.932 N/A TYR 339.A N THR 336.A O no hydrogen 3.194 N/A ILE 340.A N VAL 112.A O no hydrogen 2.788 N/A VAL 341.A N VAL 112.A O no hydrogen 3.017 N/A LYS 342.A N GLU 345.A O no hydrogen 2.844 N/A LYS 342.A NZ ASP 333.A OD2 no hydrogen 2.932 N/A ASP 343.A N THR 111.A OG1 no hydrogen 2.969 N/A GLY 344.A N LEU 110.A O no hydrogen 2.837 N/A GLU 345.A N LYS 342.A O no hydrogen 2.858 N/A ALA 347.A N ILE 340.A O no hydrogen 2.894 N/A GLN 349.A N GLN 349.A OE1 no hydrogen 2.786 N/A TYR 350.A N ALA 347.A O no hydrogen 2.823 N/A ARG 351.A N PRO 348.A O no hydrogen 3.260 N/A ARG 351.A NE LEU 346.A O no hydrogen 2.828 N/A ARG 351.A NH2 LEU 346.A O no hydrogen 3.085 N/A