Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kp2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 CYS 2.A O no hydrogen 2.937 N/A TYR 3.A N THR 168.A O no hydrogen 2.835 N/A GLU 5.A N SER 166.A O no hydrogen 2.872 N/A THR 7.A N VAL 164.A O no hydrogen 2.897 N/A THR 7.A OG1 VAL 164.A O no hydrogen 3.427 N/A THR 7.A OG1 SER 166.A OG no hydrogen 2.729 N/A GLY 8.A N VAL 164.A O no hydrogen 3.306 N/A GLY 10.A N ALA 162.A O no hydrogen 2.983 N/A LYS 11.A NZ GLU 291.A OE1 no hydrogen 3.041 N/A LYS 11.A NZ GLU 294.A OE1 no hydrogen 2.847 N/A CYS 12.A N ALA 160.A O no hydrogen 2.771 N/A THR 17.A OG1 PRO 15.A O no hydrogen 3.139 N/A LEU 18.A N ARG 43.A O no hydrogen 2.828 N/A SER 19.A N ASP 22.A OD2 no hydrogen 3.061 N/A ASN 20.A N GLU 41.A O no hydrogen 3.228 N/A ASN 20.A ND2 ASP 31.A OD1 no hydrogen 2.809 N/A ASN 20.A ND2 ILE 40.A O no hydrogen 2.817 N/A ASP 22.A N SER 19.A OG no hydrogen 2.967 N/A LEU 23.A N SER 19.A O no hydrogen 3.184 N/A SER 24.A N ASN 20.A O no hydrogen 3.027 N/A SER 24.A OG ASN 20.A O no hydrogen 3.001 N/A SER 24.A OG THR 29.A O no hydrogen 2.912 N/A THR 25.A N ASP 22.A O no hydrogen 3.186 N/A THR 25.A OG1 ASP 22.A O no hydrogen 2.614 N/A PHE 26.A N LEU 23.A O no hydrogen 3.303 N/A LEU 27.A N LEU 23.A O no hydrogen 2.921 N/A THR 29.A N LEU 27.A O no hydrogen 2.950 N/A ILE 34.A N SER 30.A O no hydrogen 3.152 N/A GLN 35.A N ASP 31.A O no hydrogen 2.903 N/A SER 36.A N GLU 32.A O no hydrogen 3.135 N/A SER 36.A OG GLU 32.A O no hydrogen 2.868 N/A SER 36.A OG TRP 33.A O no hydrogen 2.945 N/A ARG 37.A N TRP 33.A O no hydrogen 2.815 N/A THR 38.A N ILE 34.A O no hydrogen 2.783 N/A THR 38.A OG1 ILE 34.A O no hydrogen 2.599 N/A GLY 39.A N ILE 34.A O no hydrogen 3.264 N/A ILE 40.A N THR 38.A OG1 no hydrogen 3.001 N/A GLU 41.A N HIS 275.A O no hydrogen 3.036 N/A GLN 42.A N HIS 275.A O no hydrogen 2.997 N/A ARG 43.A N LEU 18.A O no hydrogen 3.255 N/A ARG 43.A NH1 LEU 18.A O no hydrogen 2.987 N/A ARG 43.A NH1 ASN 20.A OD1 no hydrogen 2.867 N/A ARG 43.A NH1 GLU 41.A O no hydrogen 3.389 N/A ARG 43.A NH2 ASN 20.A OD1 no hydrogen 3.061 N/A ARG 43.A NH2 VAL 154.A O no hydrogen 2.741 N/A ARG 44.A NH1 PRO 14.A O no hydrogen 2.928 N/A ILE 45.A N ALA 16.A O no hydrogen 2.942 N/A SER 46.A N ASP 158.A OD2 no hydrogen 2.781 N/A SER 46.A OG VAL 48.A O no hydrogen 2.613 N/A HIS 47.A NE2 PRO 337.A O no hydrogen 2.802 N/A VAL 48.A N SER 46.A OG no hydrogen 3.056 N/A THR 50.A OG1 SER 81.A O no hydrogen 2.642 N/A SER 51.A N ASP 83.A OD1 no hydrogen 3.014 N/A SER 51.A OG ASP 83.A OD2 no hydrogen 2.486 N/A ASP 52.A N ASN 49.A O no hydrogen 3.005 N/A LEU 53.A N ASN 49.A O no hydrogen 3.347 N/A ALA 54.A N THR 50.A O no hydrogen 2.906 N/A THR 55.A N SER 51.A O no hydrogen 2.950 N/A THR 55.A OG1 SER 51.A O no hydrogen 2.663 N/A VAL 56.A N ASP 52.A O no hydrogen 3.231 N/A ALA 57.A N LEU 53.A O no hydrogen 3.130 N/A ALA 58.A N ALA 54.A O no hydrogen 2.997 N/A GLN 59.A N THR 55.A O no hydrogen 2.913 N/A HIS 60.A N VAL 56.A O no hydrogen 3.113 N/A HIS 60.A NE2 ALA 334.A O no hydrogen 2.796 N/A ALA 61.A N ALA 57.A O no hydrogen 3.051 N/A ILE 62.A N ALA 58.A O no hydrogen 2.842 N/A ALA 63.A N GLN 59.A O no hydrogen 3.108 N/A CYS 64.A N HIS 60.A O no hydrogen 2.913 N/A ALA 65.A N ALA 61.A O no hydrogen 2.942 N/A GLY 66.A N ALA 63.A O no hydrogen 3.066 N/A VAL 67.A N ILE 62.A O no hydrogen 3.329 N/A SER 68.A N GLU 71.A OE1 no hydrogen 2.708 N/A GLU 70.A N SER 68.A OG no hydrogen 3.041 N/A GLU 71.A N SER 68.A O no hydrogen 2.900 N/A ILE 72.A N VAL 69.A O no hydrogen 3.432 N/A ASP 73.A N HIS 132.A O no hydrogen 2.902 N/A ILE 75.A N ALA 103.A O no hydrogen 2.738 N/A ILE 76.A N LEU 134.A O no hydrogen 2.912 N/A VAL 77.A N PHE 105.A O no hydrogen 3.078 N/A ALA 78.A N ILE 136.A O no hydrogen 2.693 N/A THR 79.A N LEU 107.A O no hydrogen 3.101 N/A THR 79.A OG1 ALA 138.A O no hydrogen 2.768 N/A THR 79.A OG1 GLU 139.A OE1 no hydrogen 3.223 N/A CYS 80.A N GLU 139.A OE1 no hydrogen 2.913 N/A CYS 80.A N GLU 139.A OE2 no hydrogen 3.356 N/A CYS 80.A SG GLU 139.A OE1 no hydrogen 3.447 N/A CYS 80.A SG GLU 139.A OE2 no hydrogen 3.805 N/A SER 81.A N THR 79.A OG1 no hydrogen 3.018 N/A SER 81.A OG GLU 139.A OE1 no hydrogen 2.757 N/A SER 84.A OG PRO 87.A O no hydrogen 2.735 N/A ASN 88.A ND2 ALA 104.A O no hydrogen 3.091 N/A ILE 89.A N ASP 106.A OD2 no hydrogen 2.769 N/A ALA 90.A N ASP 106.A OD1 no hydrogen 2.758 N/A SER 91.A N ASN 88.A OD1 no hydrogen 2.920 N/A SER 91.A OG ASN 88.A O no hydrogen 2.717 N/A SER 91.A OG ASN 88.A OD1 no hydrogen 2.940 N/A ARG 92.A NH1 GLN 95.A OE1 no hydrogen 2.875 N/A VAL 93.A N ILE 89.A O no hydrogen 3.008 N/A GLN 94.A N ALA 90.A O no hydrogen 2.921 N/A GLN 94.A NE2 ILE 99.A O no hydrogen 3.020 N/A GLN 95.A N SER 91.A O no hydrogen 2.883 N/A ASN 96.A N ARG 92.A O no hydrogen 2.822 N/A ASN 96.A ND2 THR 55.A OG1 no hydrogen 2.914 N/A LEU 97.A N VAL 93.A O no hydrogen 2.891 N/A GLY 98.A N GLN 95.A O no hydrogen 3.362 N/A ILE 99.A N GLN 94.A O no hydrogen 3.120 N/A ALA 102.A N PRO 100.A O no hydrogen 2.756 N/A ALA 103.A N ASP 73.A O no hydrogen 3.127 N/A PHE 105.A N ILE 75.A O no hydrogen 3.076 N/A LEU 107.A N VAL 77.A O no hydrogen 2.821 N/A ALA 110.A N ASN 108.A OD1 no hydrogen 3.184 N/A THR 112.A OG1 THR 314.A OG1 no hydrogen 2.778 N/A GLY 113.A N ALA 110.A O no hydrogen 2.901 N/A TYR 116.A N THR 112.A O no hydrogen 2.940 N/A TYR 116.A OH GLY 180.A O no hydrogen 2.705 N/A GLY 117.A N GLY 113.A O no hydrogen 2.806 N/A LEU 118.A N PHE 114.A O no hydrogen 2.794 N/A GLU 119.A N LEU 115.A O no hydrogen 2.891 N/A THR 120.A N TYR 116.A O no hydrogen 2.874 N/A THR 120.A OG1 TYR 116.A O no hydrogen 2.949 N/A ALA 121.A N GLY 117.A O no hydrogen 2.859 N/A THR 122.A N LEU 118.A O no hydrogen 3.022 N/A THR 122.A OG1 LEU 118.A O no hydrogen 2.666 N/A ARG 123.A N GLU 119.A O no hydrogen 2.994 N/A ARG 123.A NE GLU 119.A OE1 no hydrogen 2.803 N/A ARG 123.A NH1 GLN 126.A OE1 no hydrogen 2.847 N/A ARG 123.A NH2 GLU 119.A OE1 no hydrogen 2.928 N/A ARG 123.A NH2 GLN 175.A O no hydrogen 2.847 N/A LEU 124.A N THR 120.A O no hydrogen 2.908 N/A MET 125.A N ALA 121.A O no hydrogen 2.973 N/A GLN 126.A N THR 122.A O no hydrogen 2.916 N/A GLN 126.A NE2 CYS 2.A O no hydrogen 2.981 N/A ALA 127.A N ARG 123.A O no hydrogen 2.922 N/A SER 128.A N LEU 124.A O no hydrogen 2.933 N/A HIS 129.A ND1 HIS 129.A O no hydrogen 2.726 N/A ARG 131.A N ASP 73.A OD2 no hydrogen 2.718 N/A ALA 133.A N LEU 165.A O no hydrogen 3.005 N/A LEU 134.A N LEU 74.A O no hydrogen 2.820 N/A VAL 135.A N VAL 163.A O no hydrogen 2.984 N/A ILE 136.A N ILE 76.A O no hydrogen 2.839 N/A GLY 137.A N GLY 161.A O no hydrogen 2.882 N/A ALA 138.A N ALA 78.A O no hydrogen 3.045 N/A GLU 139.A N GLY 159.A O no hydrogen 2.893 N/A ARG 140.A N SER 81.A OG no hydrogen 2.862 N/A SER 142.A N ASP 158.A OD1 no hydrogen 2.955 N/A SER 142.A OG ASP 158.A OD1 no hydrogen 3.266 N/A SER 142.A OG ASP 158.A OD2 no hydrogen 2.564 N/A PHE 143.A N ARG 140.A O no hydrogen 3.348 N/A TYR 144.A N LEU 141.A O no hydrogen 2.892 N/A TYR 144.A OH CYS 80.A O no hydrogen 2.616 N/A LEU 145.A N SER 142.A O no hydrogen 3.493 N/A THR 148.A N ASP 146.A OD1 no hydrogen 3.067 N/A LYS 149.A N ASP 146.A O no hydrogen 3.116 N/A ARG 150.A NH1 ASP 28.A O no hydrogen 2.758 N/A ALA 153.A N LYS 149.A O no hydrogen 3.032 N/A LEU 155.A N THR 152.A O no hydrogen 3.284 N/A GLY 157.A N ASN 279.A O no hydrogen 2.893 N/A ASP 158.A N ARG 44.A O no hydrogen 2.885 N/A GLY 159.A N GLU 139.A O no hydrogen 3.074 N/A ALA 160.A N CYS 12.A O no hydrogen 3.005 N/A GLY 161.A N GLY 137.A O no hydrogen 2.833 N/A ALA 162.A N GLY 10.A O no hydrogen 2.850 N/A VAL 163.A N VAL 135.A O no hydrogen 2.875 N/A VAL 164.A N GLY 8.A O no hydrogen 2.919 N/A LEU 165.A N ALA 133.A O no hydrogen 2.828 N/A SER 166.A N GLU 5.A O no hydrogen 2.912 N/A SER 166.A OG THR 7.A OG1 no hydrogen 2.729 N/A LYS 167.A N ARG 131.A O no hydrogen 2.898 N/A LYS 167.A NZ MET 125.A O no hydrogen 2.771 N/A THR 168.A N TYR 3.A O no hydrogen 2.935 N/A GLN 170.A N THR 168.A OG1 no hydrogen 2.962 N/A LYS 171.A NZ GLN 175.A OE1 no hydrogen 2.895 N/A GLY 173.A N ARG 321.A O no hydrogen 2.754 N/A GLN 175.A N HIS 319.A O no hydrogen 2.732 N/A GLN 175.A NE2 GLY 173.A O no hydrogen 3.054 N/A GLN 178.A N ALA 317.A O no hydrogen 2.914 N/A GLN 178.A NE2 GLN 231.A OE1 no hydrogen 3.606 N/A GLY 180.A N TRP 315.A O no hydrogen 2.812 N/A ASP 182.A N LEU 313.A O no hydrogen 2.759 N/A GLY 185.A N ASP 182.A O no hydrogen 2.993 N/A ARG 186.A N ALA 183.A O no hydrogen 3.260 N/A ALA 190.A N ASP 211.A O no hydrogen 3.055 N/A MET 198.A N GLY 195.A O no hydrogen 3.137 N/A PHE 201.A N ASP 199.A OD1 no hydrogen 3.269 N/A ASP 202.A N ASP 199.A O no hydrogen 3.375 N/A ASP 204.A N ASP 202.A OD1 no hydrogen 3.117 N/A ASN 205.A N ASP 202.A O no hydrogen 3.112 N/A ASN 205.A ND2 ASP 199.A O no hydrogen 2.757 N/A TYR 207.A N ASP 204.A O no hydrogen 3.089 N/A TRP 208.A NE1 TYR 144.A O no hydrogen 2.919 N/A ASP 211.A N ALA 190.A O no hydrogen 2.729 N/A VAL 213.A N ILE 188.A O no hydrogen 2.999 N/A ILE 217.A N VAL 213.A O no hydrogen 3.010 N/A PHE 218.A N GLY 214.A O no hydrogen 2.966 N/A LYS 219.A N LYS 215.A O no hydrogen 3.162 N/A ARG 220.A N GLU 216.A O no hydrogen 3.071 N/A ARG 220.A NH1 ASP 182.A OD2 no hydrogen 2.870 N/A ALA 221.A N ILE 217.A O no hydrogen 2.838 N/A VAL 222.A N PHE 218.A O no hydrogen 3.062 N/A ARG 223.A N LYS 219.A O no hydrogen 3.040 N/A GLY 224.A N ARG 220.A O no hydrogen 2.824 N/A MET 225.A N ALA 221.A O no hydrogen 2.847 N/A GLY 226.A N VAL 222.A O no hydrogen 2.863 N/A ALA 227.A N ARG 223.A O no hydrogen 3.085 N/A ALA 228.A N GLY 224.A O no hydrogen 3.225 N/A ALA 229.A N MET 225.A O no hydrogen 2.873 N/A GLN 230.A N GLY 226.A O no hydrogen 2.989 N/A GLN 231.A N ALA 227.A O no hydrogen 2.997 N/A VAL 232.A N ALA 228.A O no hydrogen 3.057 N/A LEU 233.A N ALA 229.A O no hydrogen 2.908 N/A ALA 234.A N GLN 230.A O no hydrogen 2.801 N/A ARG 235.A N GLN 231.A O no hydrogen 2.871 N/A ARG 235.A NE ASP 176.A OD1 no hydrogen 3.152 N/A ARG 235.A NE ASP 176.A OD2 no hydrogen 2.757 N/A ARG 235.A NH1 GLN 231.A OE1 no hydrogen 3.294 N/A SER 236.A N VAL 232.A O no hydrogen 2.910 N/A SER 236.A OG LEU 233.A O no hydrogen 2.553 N/A GLY 237.A N LEU 233.A O no hydrogen 3.208 N/A LEU 238.A N SER 236.A OG no hydrogen 2.971 N/A SER 239.A N GLU 242.A OE2 no hydrogen 2.842 N/A SER 239.A OG GLU 242.A OE2 no hydrogen 3.177 N/A GLU 242.A N SER 239.A O no hydrogen 3.039 N/A ILE 243.A N THR 240.A O no hydrogen 3.206 N/A ASP 244.A N ASP 303.A O no hydrogen 2.772 N/A VAL 245.A N ASP 303.A O no hydrogen 3.398 N/A VAL 246.A N LYS 269.A O no hydrogen 2.930 N/A ILE 247.A N LEU 305.A O no hydrogen 2.811 N/A HIS 249.A N ALA 307.A O no hydrogen 2.887 N/A HIS 249.A ND1 THR 284.A OG1 no hydrogen 2.669 N/A GLN 250.A NE2 PRO 248.A O no hydrogen 2.941 N/A GLN 250.A NE2 PHE 271.A O no hydrogen 2.946 N/A ASN 252.A ND2 ARG 37.A O no hydrogen 3.670 N/A ILE 255.A N ASN 252.A OD1 no hydrogen 3.051 N/A ILE 256.A N ASN 252.A O no hydrogen 3.379 N/A GLN 257.A N ILE 253.A O.A no hydrogen 2.969 N/A GLN 257.A N ILE 253.A O.B no hydrogen 2.967 N/A THR 258.A N ARG 254.A O no hydrogen 2.858 N/A THR 258.A OG1 ARG 254.A O no hydrogen 2.716 N/A LEU 259.A N ILE 255.A O no hydrogen 2.922 N/A CYS 260.A N ILE 256.A O no hydrogen 3.095 N/A CYS 260.A SG ILE 256.A O no hydrogen 3.432 N/A ASP 261.A N GLN 257.A O no hydrogen 2.966 N/A LEU 262.A N THR 258.A O no hydrogen 2.904 N/A ALA 263.A N LEU 259.A O no hydrogen 3.084 N/A GLY 264.A N ASP 261.A O no hydrogen 3.063 N/A ILE 265.A N CYS 260.A O no hydrogen 2.774 N/A GLN 267.A NE2 GLN 257.A O no hydrogen 2.913 N/A LYS 269.A N ALA 266.A O no hydrogen 3.152 N/A LYS 269.A NZ GLU 241.A O no hydrogen 3.384 N/A LYS 269.A NZ ILE 243.A O no hydrogen 2.980 N/A ALA 270.A N GLN 267.A O no hydrogen 3.299 N/A PHE 271.A N VAL 246.A O no hydrogen 2.925 N/A ASN 273.A N GLN 250.A OE1 no hydrogen 2.955 N/A ASN 273.A ND2 GLU 291.A OE2 no hydrogen 2.766 N/A ARG 276.A N ASN 273.A O no hydrogen 3.149 N/A TYR 277.A OH GLU 291.A OE1 no hydrogen 2.568 N/A GLY 278.A N ILE 274.A O no hydrogen 2.833 N/A ASN 279.A N LEU 155.A O no hydrogen 2.977 N/A SER 281.A N ASN 279.A OD1 no hydrogen 2.800 N/A SER 281.A OG GLU 139.A OE2 no hydrogen 3.290 N/A ALA 282.A N GLU 139.A OE2 no hydrogen 3.158 N/A ALA 283.A N THR 280.A O no hydrogen 3.028 N/A THR 284.A N SER 281.A O no hydrogen 3.105 N/A THR 284.A OG1 HIS 249.A ND1 no hydrogen 2.669 N/A THR 284.A OG1 SER 281.A O no hydrogen 3.058 N/A ILE 287.A N ALA 283.A O no hydrogen 3.010 N/A ALA 288.A N THR 284.A O no hydrogen 2.970 N/A LEU 289.A N VAL 285.A O no hydrogen 2.816 N/A CYS 290.A N PRO 286.A O no hydrogen 2.987 N/A CYS 290.A SG GLU 294.A OE2 no hydrogen 3.434 N/A GLU 291.A N ILE 287.A O no hydrogen 2.919 N/A ALA 292.A N ALA 288.A O no hydrogen 2.759 N/A LEU 293.A N LEU 289.A O no hydrogen 3.007 N/A GLU 294.A N CYS 290.A O no hydrogen 2.968 N/A GLN 295.A N GLU 291.A O no hydrogen 2.874 N/A GLY 296.A N LEU 293.A O no hydrogen 3.259 N/A LYS 297.A N ALA 292.A O no hydrogen 2.855 N/A LYS 297.A NZ GLN 295.A OE1 no hydrogen 3.352 N/A LYS 299.A N ASP 302.A OD2 no hydrogen 2.846 N/A HIS 301.A N GLY 323.A O no hydrogen 3.023 N/A ASP 302.A N LYS 299.A O no hydrogen 3.221 N/A ASP 303.A N ASP 244.A OD2 no hydrogen 2.805 N/A LEU 304.A N ILE 320.A O no hydrogen 2.808 N/A LEU 305.A N VAL 245.A O no hydrogen 2.919 N/A VAL 306.A N GLY 318.A O no hydrogen 2.818 N/A ALA 307.A N ILE 247.A O no hydrogen 3.317 N/A ALA 308.A N GLY 316.A O no hydrogen 2.887 N/A GLY 310.A N THR 314.A O no hydrogen 2.857 N/A LEU 313.A N ASP 182.A O no hydrogen 2.883 N/A THR 314.A OG1 ALA 109.A O no hydrogen 2.794 N/A THR 314.A OG1 THR 112.A OG1 no hydrogen 2.778 N/A THR 314.A OG1 ALA 311.A O no hydrogen 3.401 N/A TRP 315.A N GLY 180.A O no hydrogen 2.922 N/A GLY 316.A N ALA 308.A O no hydrogen 2.895 N/A ALA 317.A N GLN 178.A O no hydrogen 2.924 N/A GLY 318.A N VAL 306.A O no hydrogen 2.817 N/A HIS 319.A N ASP 176.A O no hydrogen 2.937 N/A HIS 319.A NE2 ASP 303.A OD1 no hydrogen 2.800 N/A ILE 320.A N LEU 304.A O no hydrogen 2.933 N/A ARG 321.A N GLY 173.A O no hydrogen 2.945 N/A ARG 321.A NH2 ASP 303.A OD2 no hydrogen 3.558 N/A TRP 322.A N ASP 302.A O no hydrogen 2.852 N/A TRP 322.A NE1 ARG 325.A O no hydrogen 2.897 N/A ARG 325.A NH1 THR 7.A O no hydrogen 3.296 N/A ARG 325.A NH1 THR 327.A O.A no hydrogen 2.954 N/A ARG 325.A NH1 THR 327.A O.B no hydrogen 2.948 N/A ARG 325.A NH2 THR 7.A O no hydrogen 2.789 N/A LEU 329.A N CYS 64.A O no hydrogen 2.916 N/A GLY 330.A N ALA 63.A O no hydrogen 3.154 N/A ALA 334.A N SER 332.A OG no hydrogen 2.962 N/A CYS 339.A SG HIS 341.A O no hydrogen 3.297 N/A ASP 345.A N THR 342.A OG1 no hydrogen 3.030 N/A LEU 346.A N THR 342.A O no hydrogen 2.891 N/A LEU 347.A N ALA 343.A O no hydrogen 2.958 N/A SER 348.A N ASP 345.A O no hydrogen 3.207 N/A ILE 351.A N LEU 347.A O no hydrogen 2.882 N/A GLU 352.A N SER 348.A O no hydrogen 3.025 N/A HIS 353.A N LYS 349.A O no hydrogen 2.956 N/A CYS 354.A N ALA 350.A O no hydrogen 3.049 N/A CYS 354.A SG ALA 350.A O no hydrogen 3.395 N/A LYS 355.A N ILE 351.A O no hydrogen 2.955 N/A ARG 356.A N GLU 352.A O no hydrogen 2.910 N/A HIS 357.A N HIS 353.A O no hydrogen 2.999 N/A