Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jpi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 6.A N GLY 138.A O no hydrogen 2.686 N/A ASN 7.A N ARG 139.A O no hydrogen 3.328 N/A ASN 7.A ND2 TYR 21.A OH no hydrogen 2.919 N/A ASN 7.A ND2 ASP 70.A OD1 no hydrogen 3.336 N/A THR 9.A N ASN 7.A OD1 no hydrogen 2.925 N/A THR 9.A OG1 ASN 7.A OD1 no hydrogen 2.788 N/A THR 9.A OG1 TYR 21.A OH no hydrogen 2.934 N/A ARG 12.A N ASP 8.A O no hydrogen 2.996 N/A ARG 12.A NE ASP 8.A OD1 no hydrogen 2.858 N/A ARG 12.A NE ASP 8.A OD2 no hydrogen 3.302 N/A ARG 12.A NH2 ASP 8.A OD1 no hydrogen 3.209 N/A ALA 13.A N THR 9.A O no hydrogen 2.998 N/A ALA 14.A N PHE 10.A O no hydrogen 3.107 N/A TRP 15.A N LEU 11.A O no hydrogen 3.102 N/A TRP 15.A N ARG 12.A O no hydrogen 3.100 N/A GLY 16.A N ALA 13.A O no hydrogen 2.941 N/A GLU 17.A N ARG 12.A O no hydrogen 2.891 N/A THR 19.A OG1 TYR 21.A O no hydrogen 2.564 N/A TYR 21.A OH THR 9.A OG1 no hydrogen 2.934 N/A TYR 21.A OH ASP 70.A OD1 no hydrogen 2.710 N/A THR 22.A N SER 352.A OG no hydrogen 3.058 N/A VAL 24.A N ASP 70.A OD2 no hydrogen 2.883 N/A TRP 25.A N ALA 326.A O no hydrogen 3.477 N/A TRP 25.A NE1 GLN 293.A OE1 no hydrogen 2.766 N/A CYS 26.A N GLN 29.A OE1 no hydrogen 2.961 N/A MET 27.A N ASN 327.A OD1 no hydrogen 3.185 N/A GLN 29.A N CYS 26.A O no hydrogen 2.964 N/A GLN 29.A NE2 ALA 71.A O no hydrogen 3.118 N/A TYR 33.A OH GLN 29.A O no hydrogen 2.638 N/A LEU 34.A N GLY 31.A O no hydrogen 2.952 N/A GLU 36.A N GLU 36.A OE1 no hydrogen 2.711 N/A PHE 37.A N LEU 34.A O no hydrogen 2.884 N/A ARG 38.A NE ARG 32.A O no hydrogen 2.619 N/A ARG 38.A NH2 ARG 32.A O no hydrogen 2.999 N/A GLU 39.A N PRO 35.A O no hydrogen 3.362 N/A THR 40.A N GLU 36.A O no hydrogen 3.253 N/A THR 40.A OG1 GLU 36.A O no hydrogen 3.024 N/A ARG 41.A N PHE 37.A O no hydrogen 2.940 N/A ARG 41.A NH2 PHE 46.A O no hydrogen 3.103 N/A ALA 42.A N ARG 38.A O no hydrogen 2.782 N/A ALA 42.A N GLU 39.A O no hydrogen 3.160 N/A ALA 43.A N THR 40.A O no hydrogen 3.195 N/A SER 48.A N PHE 46.A O no hydrogen 2.875 N/A THR 49.A N ASP 45.A O no hydrogen 3.292 N/A THR 49.A N PHE 46.A O no hydrogen 3.271 N/A THR 49.A OG1 ARG 41.A O no hydrogen 3.457 N/A THR 49.A OG1 ASP 45.A O no hydrogen 3.200 N/A ALA 55.A N SER 52.A OG no hydrogen 3.428 N/A CYS 56.A N SER 52.A O no hydrogen 2.984 N/A CYS 56.A SG THR 49.A O no hydrogen 3.852 N/A CYS 56.A SG CYS 50.A O no hydrogen 2.756 N/A CYS 56.A SG SER 52.A O no hydrogen 3.685 N/A CYS 56.A SG PHE 75.A O no hydrogen 3.923 N/A CYS 57.A N PRO 53.A O no hydrogen 2.839 N/A GLU 58.A N GLU 54.A O no hydrogen 3.014 N/A LEU 59.A N ALA 55.A O no hydrogen 3.025 N/A THR 60.A N CYS 56.A O no hydrogen 2.902 N/A THR 60.A OG1 CYS 56.A O no hydrogen 2.738 N/A LEU 61.A N CYS 57.A O no hydrogen 2.950 N/A GLN 62.A N GLU 58.A O no hydrogen 2.921 N/A GLN 62.A NE2 GLU 36.A O no hydrogen 3.345 N/A GLN 62.A NE2 THR 40.A OG1 no hydrogen 3.052 N/A GLN 62.A NE2 GLU 58.A OE1 no hydrogen 3.132 N/A ARG 65.A N GLN 62.A O no hydrogen 3.127 N/A ARG 65.A NH1 GLU 58.A OE1 no hydrogen 2.814 N/A ARG 65.A NH1 GLU 58.A OE2 no hydrogen 3.128 N/A ARG 65.A NH2 GLU 58.A OE2 no hydrogen 2.914 N/A ARG 66.A N PRO 63.A O no hydrogen 3.013 N/A ARG 66.A NE GLU 36.A OE2 no hydrogen 2.661 N/A ARG 66.A NH2 GLU 36.A OE1 no hydrogen 2.866 N/A ARG 66.A NH2 GLU 36.A OE2 no hydrogen 3.417 N/A PHE 67.A N PRO 63.A O no hydrogen 2.822 N/A LEU 69.A N PHE 67.A O no hydrogen 2.763 N/A ASP 70.A N VAL 24.A O no hydrogen 2.828 N/A ALA 72.A N PRO 141.A O no hydrogen 2.919 N/A ILE 74.A N ILE 143.A O no hydrogen 2.960 N/A PHE 75.A N THR 60.A OG1 no hydrogen 3.007 N/A ASP 77.A N SER 76.A OG no hydrogen 2.583 N/A LEU 79.A N ASP 77.A OD1 no hydrogen 3.300 N/A VAL 80.A N ASP 77.A O no hydrogen 3.149 N/A GLN 83.A N LEU 79.A O no hydrogen 3.162 N/A ALA 84.A N VAL 80.A O no hydrogen 2.824 N/A LEU 85.A N VAL 81.A O no hydrogen 2.972 N/A LEU 85.A N PRO 82.A O no hydrogen 3.022 N/A GLY 86.A N GLN 83.A O no hydrogen 2.732 N/A MET 87.A N PRO 82.A O no hydrogen 3.212 N/A THR 90.A N SER 98.A O no hydrogen 3.052 N/A VAL 92.A N GLY 96.A O no hydrogen 3.356 N/A PHE 99.A N GLY 159.A O no hydrogen 2.748 N/A LEU 103.A N MET 156.A O no hydrogen 2.913 N/A ARG 104.A N ASP 108.A OD2 no hydrogen 2.674 N/A ARG 104.A NE VAL 157.A O no hydrogen 2.916 N/A ARG 104.A NH2 VAL 157.A O no hydrogen 3.214 N/A GLU 105.A N ASP 108.A OD2 no hydrogen 3.071 N/A ASP 108.A N GLU 105.A O no hydrogen 2.939 N/A LEU 109.A N GLU 106.A O no hydrogen 3.136 N/A GLU 110.A N GLN 107.A O no hydrogen 3.063 N/A ARG 111.A NH1 GLU 101.A O no hydrogen 3.196 N/A ARG 111.A NH1 PRO 102.A O no hydrogen 3.123 N/A ARG 111.A NH2 GLU 101.A O no hydrogen 3.125 N/A LEU 112.A N LEU 109.A O no hydrogen 3.160 N/A ARG 113.A N LEU 85.A O no hydrogen 2.621 N/A ARG 113.A NH1 ALA 84.A O no hydrogen 2.866 N/A GLU 116.A N ASP 114.A OD1 no hydrogen 3.062 N/A VAL 117.A N ASP 114.A O no hydrogen 2.943 N/A VAL 118.A N PRO 115.A O no hydrogen 3.158 N/A SER 120.A OG VAL 117.A O no hydrogen 2.586 N/A GLU 121.A N VAL 118.A O no hydrogen 2.872 N/A LEU 122.A N ALA 119.A O no hydrogen 3.104 N/A VAL 125.A N LEU 122.A O no hydrogen 2.920 N/A PHE 126.A N LEU 122.A O no hydrogen 3.493 N/A GLN 127.A N GLY 123.A O no hydrogen 2.996 N/A ALA 128.A N TYR 124.A O no hydrogen 3.114 N/A ILE 129.A N VAL 125.A O no hydrogen 2.933 N/A THR 130.A N PHE 126.A O no hydrogen 2.975 N/A THR 130.A OG1 PHE 126.A O no hydrogen 3.322 N/A THR 130.A OG1 ALA 200.A O no hydrogen 2.795 N/A LEU 131.A N GLN 127.A O no hydrogen 3.031 N/A THR 132.A N ALA 128.A O no hydrogen 2.847 N/A THR 132.A OG1 ALA 128.A O no hydrogen 2.525 N/A ARG 133.A N ILE 129.A O no hydrogen 2.781 N/A ARG 133.A NH1 GLY 201.A O no hydrogen 2.968 N/A GLN 134.A N THR 130.A O no hydrogen 2.910 N/A ARG 135.A N LEU 131.A O no hydrogen 2.943 N/A ARG 135.A NH1 GLU 54.A OE1 no hydrogen 3.070 N/A ARG 135.A NH2 GLU 54.A OE2 no hydrogen 2.777 N/A LEU 136.A N THR 132.A O no hydrogen 2.841 N/A ALA 137.A N GLN 134.A O no hydrogen 3.102 N/A ARG 139.A N LEU 136.A O no hydrogen 3.153 N/A LEU 142.A N GLN 203.A OE1 no hydrogen 2.856 N/A ILE 143.A N ALA 72.A O no hydrogen 2.672 N/A GLY 144.A N ALA 204.A O no hydrogen 2.830 N/A PHE 145.A N GLN 197.A OE1 no hydrogen 2.943 N/A ALA 146.A N GLN 206.A O no hydrogen 3.165 N/A ALA 148.A N PHE 208.A O no hydrogen 2.739 N/A TRP 150.A NE1 HIS 211.A O no hydrogen 2.642 N/A THR 151.A N GLU 209.A OE1 no hydrogen 2.910 N/A THR 151.A OG1 GLU 209.A OE1 no hydrogen 2.590 N/A LEU 152.A N ALA 148.A O no hydrogen 2.985 N/A MET 153.A N PRO 149.A O no hydrogen 3.019 N/A THR 154.A N TRP 150.A O no hydrogen 2.930 N/A THR 154.A OG1 THR 151.A O no hydrogen 2.610 N/A THR 154.A OG1 HIS 211.A ND1 no hydrogen 2.638 N/A TYR 155.A N THR 151.A O no hydrogen 3.383 N/A MET 156.A N LEU 152.A O no hydrogen 3.084 N/A VAL 157.A N MET 153.A O no hydrogen 2.891 N/A GLU 158.A N THR 154.A O no hydrogen 2.812 N/A GLY 159.A N TYR 155.A O no hydrogen 2.884 N/A THR 164.A N SER 162.A OG no hydrogen 3.358 N/A MET 165.A N SER 162.A OG no hydrogen 3.142 N/A ALA 166.A N THR 164.A OG1 no hydrogen 3.277 N/A ALA 168.A N GLU 158.A OE2 no hydrogen 2.707 N/A LYS 169.A N MET 165.A O no hydrogen 2.741 N/A LYS 169.A NZ HIS 214.A O no hydrogen 2.592 N/A ARG 170.A N ALA 166.A O no hydrogen 2.875 N/A TRP 171.A N GLN 167.A O no hydrogen 3.254 N/A LEU 172.A N ALA 168.A O no hydrogen 3.211 N/A TYR 173.A N LYS 169.A O no hydrogen 3.091 N/A GLN 174.A N ARG 170.A O no hydrogen 2.747 N/A ARG 175.A N TRP 171.A O no hydrogen 2.599 N/A ARG 175.A NH1 GLU 105.A OE2 no hydrogen 2.960 N/A ARG 175.A NH2 GLU 105.A OE2 no hydrogen 3.451 N/A SER 179.A N ARG 175.A O no hydrogen 2.917 N/A SER 179.A OG ARG 175.A O no hydrogen 2.609 N/A HIS 180.A N PRO 176.A O no hydrogen 2.922 N/A HIS 180.A ND1 TYR 227.A OH no hydrogen 2.696 N/A GLN 181.A N GLN 177.A O no hydrogen 2.892 N/A LEU 182.A N ALA 178.A O no hydrogen 2.928 N/A LEU 183.A N SER 179.A O no hydrogen 2.897 N/A ARG 184.A N HIS 180.A O no hydrogen 2.902 N/A ARG 184.A NH1 ASP 230.A OD1 no hydrogen 2.827 N/A ARG 184.A NH2 ASP 230.A OD1 no hydrogen 3.172 N/A ILE 185.A N GLN 181.A O no hydrogen 3.009 N/A LEU 186.A N LEU 182.A O no hydrogen 2.990 N/A THR 187.A N LEU 183.A O no hydrogen 3.093 N/A THR 187.A OG1 LEU 183.A O no hydrogen 2.828 N/A ASP 188.A N ARG 184.A O no hydrogen 2.831 N/A LEU 190.A N LEU 186.A O no hydrogen 3.067 N/A VAL 191.A N THR 187.A O no hydrogen 3.093 N/A TYR 193.A N ALA 189.A O no hydrogen 3.290 N/A LEU 194.A N LEU 190.A O no hydrogen 2.706 N/A VAL 195.A N VAL 191.A O no hydrogen 2.862 N/A GLY 196.A N PRO 192.A O no hydrogen 2.974 N/A GLN 197.A N TYR 193.A O no hydrogen 3.055 N/A GLN 197.A NE2 PHE 145.A O no hydrogen 2.810 N/A VAL 198.A N LEU 194.A O no hydrogen 3.292 N/A VAL 198.A N VAL 195.A O no hydrogen 3.039 N/A VAL 199.A N VAL 195.A O no hydrogen 2.924 N/A ALA 200.A N GLY 196.A O no hydrogen 2.907 N/A GLY 201.A N VAL 198.A O no hydrogen 2.726 N/A ALA 202.A N GLN 197.A O no hydrogen 2.731 N/A GLN 203.A N LEU 142.A O no hydrogen 2.757 N/A LEU 205.A N PRO 248.A O no hydrogen 3.070 N/A GLN 206.A N GLY 144.A O no hydrogen 2.997 N/A LEU 207.A N ILE 250.A O no hydrogen 2.804 N/A PHE 208.A N ALA 146.A O no hydrogen 2.895 N/A GLU 209.A N PHE 252.A O no hydrogen 2.687 N/A HIS 211.A N THR 151.A OG1 no hydrogen 2.995 N/A HIS 211.A ND1 THR 154.A OG1 no hydrogen 2.638 N/A GLY 213.A N LYS 254.A O no hydrogen 3.185 N/A LEU 215.A N ALA 212.A O no hydrogen 3.123 N/A PHE 220.A N GLY 216.A O no hydrogen 2.892 N/A ASN 221.A N PRO 217.A O no hydrogen 2.995 N/A LYS 222.A N GLN 218.A O no hydrogen 3.144 N/A LEU 223.A N LEU 219.A O no hydrogen 2.768 N/A ALA 224.A N PHE 220.A O no hydrogen 2.915 N/A LEU 225.A N PHE 220.A O no hydrogen 2.769 N/A TYR 227.A N ALA 224.A O no hydrogen 3.238 N/A TYR 227.A OH HIS 180.A ND1 no hydrogen 2.696 N/A ILE 228.A N ALA 224.A O no hydrogen 3.154 N/A ARG 229.A N LEU 225.A O no hydrogen 2.921 N/A ASP 230.A N PRO 226.A O no hydrogen 2.972 N/A VAL 231.A N TYR 227.A O no hydrogen 3.031 N/A LYS 233.A N ARG 229.A O no hydrogen 3.173 N/A GLN 234.A N ASP 230.A O no hydrogen 2.891 N/A VAL 235.A N VAL 231.A O no hydrogen 2.890 N/A LYS 236.A N ALA 232.A O no hydrogen 3.122 N/A LYS 236.A NZ GLY 267.A O no hydrogen 2.937 N/A LYS 236.A NZ GLU 269.A OE1 no hydrogen 3.112 N/A ALA 237.A N LYS 233.A O no hydrogen 3.060 N/A ARG 238.A N GLN 234.A O no hydrogen 3.040 N/A LEU 239.A N VAL 235.A O no hydrogen 3.067 N/A ARG 240.A N LYS 236.A O no hydrogen 3.155 N/A GLU 241.A N ALA 237.A O no hydrogen 3.050 N/A ALA 242.A N ARG 238.A O no hydrogen 2.950 N/A GLY 243.A N ARG 240.A O no hydrogen 2.863 N/A LEU 244.A N LEU 239.A O no hydrogen 2.799 N/A MET 249.A N GLU 269.A OE2 no hydrogen 2.827 N/A ILE 250.A N LEU 205.A O no hydrogen 2.716 N/A ILE 251.A N VAL 270.A O no hydrogen 3.077 N/A PHE 252.A N LEU 207.A O no hydrogen 2.950 N/A LYS 254.A N GLU 209.A O no hydrogen 3.110 N/A LYS 254.A NZ ASP 255.A OD2 no hydrogen 3.189 N/A ASP 255.A N ASP 274.A OD2 no hydrogen 2.709 N/A GLY 256.A N ALA 253.A O no hydrogen 3.000 N/A ALA 259.A N GLY 256.A O no hydrogen 2.865 N/A LEU 260.A N HIS 257.A O no hydrogen 3.436 N/A LEU 263.A N ALA 259.A O no hydrogen 2.904 N/A ALA 264.A N LEU 260.A O no hydrogen 3.131 N/A GLN 265.A N GLU 262.A O no hydrogen 3.109 N/A ALA 266.A N LEU 263.A O no hydrogen 3.064 N/A TYR 268.A OH ILE 228.A O no hydrogen 2.495 N/A VAL 270.A N MET 249.A O no hydrogen 3.200 N/A VAL 271.A N THR 291.A O no hydrogen 2.905 N/A GLY 272.A N ILE 251.A O no hydrogen 2.794 N/A LEU 273.A N GLN 293.A O no hydrogen 3.076 N/A THR 276.A N ASP 274.A OD1 no hydrogen 2.754 N/A THR 276.A OG1 ASP 274.A OD1 no hydrogen 2.638 N/A ALA 282.A N ALA 278.A O no hydrogen 2.954 N/A ARG 283.A N PRO 279.A O no hydrogen 2.849 N/A ARG 283.A NH1 ARG 323.A O no hydrogen 3.202 N/A ARG 283.A NH2 PHE 319.A O no hydrogen 2.797 N/A GLU 284.A N LYS 280.A O no hydrogen 3.025 N/A CYS 285.A N LYS 281.A O no hydrogen 2.947 N/A CYS 285.A SG LYS 281.A O no hydrogen 3.354 N/A VAL 286.A N ALA 282.A O no hydrogen 2.835 N/A GLY 287.A N ARG 283.A O no hydrogen 2.890 N/A THR 291.A N GLU 269.A O no hydrogen 2.943 N/A THR 291.A OG1 ALA 13.A O no hydrogen 2.946 N/A THR 291.A OG1 ALA 14.A O no hydrogen 3.427 N/A LEU 292.A N ARG 323.A O no hydrogen 3.053 N/A GLN 293.A N VAL 271.A O no hydrogen 2.959 N/A GLN 293.A NE2 GLN 206.A OE1 no hydrogen 2.951 N/A GLY 294.A N ILE 325.A O no hydrogen 2.521 N/A ASN 295.A ND2 ASP 274.A O no hydrogen 3.143 N/A LEU 296.A N ASN 327.A O no hydrogen 3.304 N/A CYS 299.A N ASP 297.A OD1 no hydrogen 3.430 N/A ALA 300.A N ASP 297.A O no hydrogen 2.694 N/A LEU 301.A N PRO 298.A O no hydrogen 3.027 N/A TYR 302.A N CYS 299.A O no hydrogen 2.940 N/A TYR 302.A OH ASP 335.A OD1 no hydrogen 2.777 N/A TYR 302.A OH ASP 335.A OD2 no hydrogen 3.347 N/A ALA 303.A N ALA 300.A O no hydrogen 3.064 N/A SER 304.A N GLU 307.A OE1 no hydrogen 2.857 N/A GLU 307.A N SER 304.A OG no hydrogen 3.099 N/A ILE 308.A N SER 304.A O no hydrogen 2.925 N/A GLY 309.A N GLU 305.A O no hydrogen 3.040 N/A GLN 310.A N GLU 306.A O no hydrogen 3.308 N/A LEU 311.A N GLU 307.A O no hydrogen 2.964 N/A VAL 312.A N ILE 308.A O no hydrogen 2.772 N/A LYS 313.A N GLY 309.A O no hydrogen 2.846 N/A LYS 313.A NZ ASP 317.A OD1 no hydrogen 3.138 N/A GLN 314.A N GLN 310.A O no hydrogen 3.002 N/A MET 315.A N LEU 311.A O no hydrogen 3.031 N/A LEU 316.A N VAL 312.A O no hydrogen 2.923 N/A ASP 317.A N LYS 313.A O no hydrogen 2.996 N/A ASP 318.A N GLN 314.A O no hydrogen 3.133 N/A ASP 318.A N MET 315.A O no hydrogen 3.233 N/A PHE 319.A N MET 315.A O no hydrogen 3.098 N/A GLY 320.A N LEU 316.A O no hydrogen 2.848 N/A HIS 322.A ND1 GLU 18.A OE1 no hydrogen 2.686 N/A TYR 324.A OH GLY 294.A O no hydrogen 3.129 N/A ILE 325.A N LEU 292.A O no hydrogen 3.024 N/A ALA 326.A N PRO 23.A O no hydrogen 2.982 N/A LEU 328.A N ASN 327.A OD1 no hydrogen 2.526 N/A GLY 329.A N LEU 296.A O no hydrogen 2.567 N/A LEU 332.A N MET 27.A O no hydrogen 3.160 N/A MET 336.A N TYR 333.A O no hydrogen 3.019 N/A GLU 339.A N ASP 337.A OD1 no hydrogen 3.107 N/A HIS 340.A N ASP 337.A O no hydrogen 2.824 N/A VAL 341.A N ASP 337.A O no hydrogen 3.267 N/A GLY 342.A N PRO 338.A O no hydrogen 2.993 N/A ALA 343.A N GLU 339.A O no hydrogen 3.188 N/A PHE 344.A N HIS 340.A O no hydrogen 3.099 N/A VAL 345.A N VAL 341.A O no hydrogen 3.123 N/A ASP 346.A N GLY 342.A O no hydrogen 2.860 N/A ALA 347.A N ALA 343.A O no hydrogen 2.819 N/A VAL 348.A N PHE 344.A O no hydrogen 3.043 N/A HIS 349.A N VAL 345.A O no hydrogen 3.246 N/A HIS 349.A NE2 ASP 70.A OD2 no hydrogen 2.632 N/A LYS 350.A N ASP 346.A O no hydrogen 2.899 N/A HIS 351.A N ALA 347.A O no hydrogen 2.967 N/A SER 352.A N VAL 348.A O no hydrogen 3.058 N/A SER 352.A OG VAL 348.A O no hydrogen 2.717 N/A SER 352.A OG HIS 349.A O no hydrogen 3.037 N/A ARG 353.A N HIS 349.A O no hydrogen 3.388 N/A LEU 354.A N LYS 350.A O no hydrogen 3.233 N/A LEU 355.A N HIS 351.A O no hydrogen 2.722 N/A ARG 356.A N ARG 353.A O no hydrogen 2.996 N/A ARG 356.A NE THR 19.A O no hydrogen 2.749 N/A ARG 356.A NH1 SER 352.A O no hydrogen 2.641 N/A ARG 356.A NH2 THR 22.A OG1 no hydrogen 3.398 N/A GLN 357.A N ARG 353.A O no hydrogen 2.720 N/A GLN 357.A NE2 GLN 357.A O no hydrogen 3.239 N/A