Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kq8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG GLN 94.A O no hydrogen 3.379 N/A GLY 5.A N SER 16.A O no hydrogen 2.860 N/A MET 6.A N CYS 98.A O no hydrogen 2.992 N/A ASP 7.A N LYS 14.A O no hydrogen 2.838 N/A ILE 8.A N THR 100.A O no hydrogen 2.987 N/A GLY 9.A N LEU 12.A O no hydrogen 2.932 N/A THR 11.A OG1 SER 178.A OG no hydrogen 2.753 N/A VAL 13.A N PHE 77.A O no hydrogen 2.701 N/A LYS 14.A N ASP 7.A O no hydrogen 2.825 N/A LYS 14.A NZ LEU 12.A O no hydrogen 3.165 N/A LEU 15.A N ILE 75.A O no hydrogen 2.725 N/A SER 16.A N GLY 5.A O no hydrogen 2.909 N/A SER 16.A OG ALA 345.A O no hydrogen 3.068 N/A TYR 17.A N HIS 73.A O no hydrogen 2.957 N/A PHE 18.A N TRP 3.A O no hydrogen 3.075 N/A GLU 19.A N ASN 71.A O no hydrogen 2.713 N/A ILE 21.A N ARG 69.A O no hydrogen 3.246 N/A THR 24.A N GLU 27.A OE1 no hydrogen 2.844 N/A THR 24.A OG1 GLU 27.A OE1 no hydrogen 2.760 N/A GLU 28.A N THR 24.A O no hydrogen 3.462 N/A GLN 29.A N ALA 25.A O no hydrogen 3.345 N/A GLU 31.A N GLU 28.A O no hydrogen 2.619 N/A LEU 35.A N VAL 32.A O no hydrogen 2.767 N/A LYS 36.A N VAL 32.A O no hydrogen 3.191 N/A SER 37.A N GLU 33.A O no hydrogen 2.766 N/A SER 37.A OG GLU 33.A O no hydrogen 3.011 N/A ILE 38.A N SER 34.A O no hydrogen 2.919 N/A ARG 39.A N LEU 35.A O no hydrogen 3.251 N/A ARG 39.A NH1 GLU 31.A OE1 no hydrogen 2.817 N/A ARG 39.A NH2 GLU 31.A OE1 no hydrogen 2.840 N/A ARG 39.A NH2 GLU 31.A OE2 no hydrogen 2.688 N/A LYS 40.A N LYS 36.A O no hydrogen 2.932 N/A TYR 41.A N SER 37.A O no hydrogen 2.961 N/A LEU 42.A N ILE 38.A O no hydrogen 2.901 N/A THR 43.A N ARG 39.A O no hydrogen 2.993 N/A THR 43.A OG1 ARG 39.A O no hydrogen 2.730 N/A THR 43.A OG1 LYS 40.A O no hydrogen 3.315 N/A SER 44.A N LYS 40.A O no hydrogen 2.827 N/A SER 44.A OG LYS 40.A O no hydrogen 2.523 N/A ASN 45.A ND2 TYR 41.A O no hydrogen 2.816 N/A TYR 48.A N GLY 52.A O no hydrogen 2.857 N/A TYR 48.A OH LEU 42.A O no hydrogen 2.569 N/A THR 51.A OG1 ASP 81.A OD2 no hydrogen 2.781 N/A GLY 52.A N TYR 48.A O no hydrogen 3.015 N/A ILE 53.A N ARG 76.A O no hydrogen 2.997 N/A ARG 54.A N VAL 46.A O no hydrogen 2.880 N/A ARG 54.A NE ASN 45.A O no hydrogen 3.174 N/A ARG 54.A NE TYR 48.A OH no hydrogen 2.977 N/A ARG 54.A NH1 ASN 45.A O no hydrogen 2.926 N/A ASP 55.A N PHE 74.A O no hydrogen 2.837 N/A LEU 58.A N ASP 55.A O no hydrogen 3.106 N/A GLU 59.A N VAL 56.A O no hydrogen 3.162 N/A LEU 60.A N LEU 72.A O no hydrogen 3.028 N/A LYS 61.A N ASN 141.A OD1 no hydrogen 3.119 N/A LYS 61.A NZ GLU 59.A OE2 no hydrogen 3.334 N/A ASP 62.A N ASN 71.A OD1 no hydrogen 2.959 N/A LEU 63.A N GLY 70.A O no hydrogen 2.788 N/A LEU 65.A N ARG 68.A O no hydrogen 2.733 N/A ARG 68.A N LEU 65.A O no hydrogen 3.023 N/A ARG 68.A NE ASP 22.A OD2 no hydrogen 3.419 N/A ARG 68.A NH2 ASP 22.A O no hydrogen 3.367 N/A ARG 68.A NH2 ASP 22.A OD1 no hydrogen 2.757 N/A ARG 69.A N ASP 22.A OD2 no hydrogen 3.108 N/A GLY 70.A N LEU 63.A O no hydrogen 2.772 N/A ASN 71.A N GLU 19.A O no hydrogen 2.798 N/A ASN 71.A ND2 GLU 19.A OE1 no hydrogen 3.396 N/A LEU 72.A N LEU 60.A O no hydrogen 2.748 N/A HIS 73.A N TYR 17.A O no hydrogen 2.699 N/A HIS 73.A NE2 GLU 19.A OE1 no hydrogen 2.840 N/A ILE 75.A N LEU 15.A O no hydrogen 2.897 N/A ARG 76.A N ILE 53.A O no hydrogen 2.951 N/A ARG 76.A NE ASP 55.A OD1 no hydrogen 3.429 N/A ARG 76.A NE ASP 55.A OD2 no hydrogen 2.804 N/A ARG 76.A NH1 ASP 55.A OD1 no hydrogen 2.887 N/A PHE 77.A N VAL 13.A O no hydrogen 3.003 N/A THR 79.A N THR 11.A O no hydrogen 2.976 N/A THR 79.A OG1 GLY 9.A O no hydrogen 2.932 N/A ASP 81.A N PRO 78.A O no hydrogen 2.828 N/A LEU 82.A N THR 79.A O no hydrogen 2.939 N/A PHE 85.A N ASP 81.A O no hydrogen 3.237 N/A ILE 86.A N LEU 82.A O no hydrogen 2.830 N/A GLN 87.A N PRO 83.A O no hydrogen 2.842 N/A MET 88.A N THR 84.A O no hydrogen 2.958 N/A GLY 89.A N PHE 85.A O no hydrogen 3.041 N/A ARG 90.A N GLN 87.A O no hydrogen 3.118 N/A ARG 90.A NH2 THR 113.A OG1 no hydrogen 2.845 N/A ASP 91.A N MET 88.A O no hydrogen 3.252 N/A THR 95.A N ASN 116.A O no hydrogen 3.104 N/A LEU 97.A N HIS 118.A O no hydrogen 2.882 N/A ALA 99.A N HIS 120.A O no hydrogen 3.036 N/A THR 100.A N MET 6.A O no hydrogen 2.801 N/A THR 100.A OG1 LEU 122.A O no hydrogen 2.806 N/A GLY 101.A N THR 100.A OG1 no hydrogen 2.811 N/A GLY 103.A N ILE 8.A O no hydrogen 3.014 N/A ALA 104.A N GLY 101.A O no hydrogen 3.074 N/A TYR 105.A N GLY 102.A O no hydrogen 3.093 N/A LYS 106.A N GLY 102.A O no hydrogen 3.112 N/A PHE 107.A N GLY 103.A O no hydrogen 2.850 N/A GLU 108.A N TYR 105.A O no hydrogen 3.291 N/A PHE 111.A N PHE 107.A O no hydrogen 3.098 N/A ARG 112.A N GLU 108.A O no hydrogen 3.205 N/A ARG 112.A NH1 GLU 108.A OE2 no hydrogen 2.859 N/A THR 113.A N ASP 110.A O no hydrogen 2.966 N/A THR 113.A OG1 ASP 110.A O no hydrogen 2.504 N/A ILE 114.A N PHE 111.A O no hydrogen 3.121 N/A HIS 118.A N THR 95.A O no hydrogen 3.308 N/A HIS 120.A N LEU 97.A O no hydrogen 2.913 N/A LYS 121.A NZ GLU 108.A OE2 no hydrogen 2.644 N/A LEU 122.A N ALA 99.A O no hydrogen 2.843 N/A CYS 127.A N ASP 123.A O no hydrogen 3.112 N/A CYS 127.A SG ASP 123.A O no hydrogen 3.430 N/A LEU 128.A N GLU 124.A O no hydrogen 3.064 N/A VAL 129.A N LEU 125.A O no hydrogen 3.119 N/A LYS 130.A N ASP 126.A O no hydrogen 2.938 N/A GLY 131.A N CYS 127.A O no hydrogen 2.732 N/A LEU 132.A N LEU 128.A O no hydrogen 2.858 N/A LEU 133.A N VAL 129.A O no hydrogen 3.021 N/A TYR 134.A N LYS 130.A O no hydrogen 2.964 N/A ILE 135.A N GLY 131.A O no hydrogen 3.086 N/A ASP 136.A N LEU 132.A O no hydrogen 3.127 N/A SER 137.A N LEU 133.A O no hydrogen 3.224 N/A SER 137.A OG LEU 133.A O no hydrogen 3.303 N/A SER 137.A OG TYR 134.A O no hydrogen 2.338 N/A VAL 138.A N TYR 134.A O no hydrogen 3.031 N/A VAL 138.A N ILE 135.A O no hydrogen 3.260 N/A SER 139.A OG VAL 138.A O no hydrogen 2.496 N/A PHE 140.A N GLN 143.A O no hydrogen 2.846 N/A ASN 141.A ND2 GLU 59.A O no hydrogen 3.144 N/A GLY 142.A N SER 139.A OG no hydrogen 2.887 N/A GLN 143.A N PHE 140.A O no hydrogen 3.049 N/A CYS 146.A SG PHE 336.A O no hydrogen 3.557 N/A TYR 147.A N PHE 336.A O no hydrogen 2.906 N/A TYR 148.A N MET 161.A O no hydrogen 2.759 N/A ALA 150.A N GLN 159.A O no hydrogen 3.039 N/A SER 153.A OG ASP 325.A OD2 no hydrogen 2.896 N/A GLU 154.A N ASN 151.A O no hydrogen 3.111 N/A ARG 157.A N GLU 154.A O no hydrogen 3.059 N/A GLN 159.A N ALA 150.A O no hydrogen 3.393 N/A LYS 160.A NZ GLU 338.A OE2 no hydrogen 2.899 N/A MET 161.A N TYR 148.A O no hydrogen 2.786 N/A PHE 163.A N CYS 146.A O no hydrogen 2.683 N/A ASN 164.A ND2 ASP 166.A OD2 no hydrogen 2.988 N/A ASP 166.A N ASN 164.A OD1 no hydrogen 2.864 N/A LEU 171.A N VAL 185.A O no hydrogen 2.850 N/A LEU 172.A N ARG 302.A O no hydrogen 3.044 N/A VAL 173.A N LEU 183.A O no hydrogen 2.831 N/A VAL 174.A N VAL 304.A O no hydrogen 2.697 N/A ASN 175.A N SER 181.A O no hydrogen 2.820 N/A ILE 176.A N VAL 306.A O no hydrogen 2.866 N/A GLY 177.A N GLY 179.A O no hydrogen 2.886 N/A SER 178.A OG THR 11.A OG1 no hydrogen 2.753 N/A VAL 180.A N THR 197.A O no hydrogen 2.809 N/A SER 181.A N ASN 175.A O no hydrogen 3.012 N/A ILE 182.A N THR 195.A O no hydrogen 2.978 N/A LEU 183.A N VAL 173.A O no hydrogen 2.853 N/A ALA 184.A N LYS 192.A O no hydrogen 2.824 N/A VAL 185.A N LEU 171.A O no hydrogen 2.696 N/A HIS 186.A N ASN 190.A O no hydrogen 2.795 N/A SER 187.A N ASN 190.A O no hydrogen 2.986 N/A ASP 189.A N SER 187.A OG no hydrogen 2.791 N/A ASN 190.A N SER 187.A O no hydrogen 3.190 N/A TYR 191.A OH ASP 126.A OD1 no hydrogen 2.577 N/A LYS 192.A N ALA 184.A O no hydrogen 2.990 N/A LYS 192.A NZ GLU 298.A OE1 no hydrogen 2.976 N/A VAL 194.A N ILE 182.A O no hydrogen 2.665 N/A THR 195.A N ILE 182.A O no hydrogen 3.502 N/A THR 195.A OG1 GLY 196.A O no hydrogen 3.304 N/A GLY 196.A N THR 195.A OG1 no hydrogen 2.598 N/A THR 197.A N VAL 180.A O no hydrogen 2.976 N/A LEU 199.A N THR 197.A OG1 no hydrogen 3.020 N/A GLY 200.A N THR 203.A OG1 no hydrogen 3.192 N/A GLY 201.A N GLY 177.A O no hydrogen 2.806 N/A GLY 202.A N SER 178.A O no hydrogen 3.136 N/A THR 203.A OG1 SER 198.A O no hydrogen 3.039 N/A PHE 204.A N GLY 200.A O no hydrogen 3.115 N/A LEU 205.A N GLY 201.A O no hydrogen 2.989 N/A GLY 206.A N GLY 202.A O no hydrogen 2.725 N/A LEU 207.A N THR 203.A O no hydrogen 2.873 N/A CYS 208.A N PHE 204.A O no hydrogen 2.912 N/A SER 209.A N LEU 205.A O no hydrogen 3.003 N/A SER 209.A OG LEU 205.A O no hydrogen 2.712 N/A SER 209.A OG CYS 214.A O no hydrogen 3.491 N/A LEU 210.A N GLY 206.A O no hydrogen 3.042 N/A LEU 211.A N LEU 207.A O no hydrogen 2.832 N/A THR 212.A N CYS 208.A O no hydrogen 2.856 N/A THR 212.A OG1 CYS 208.A O no hydrogen 2.653 N/A GLY 213.A N SER 209.A O no hydrogen 2.933 N/A CYS 214.A N THR 212.A OG1 no hydrogen 3.262 N/A CYS 214.A SG SER 209.A OG no hydrogen 3.753 N/A CYS 214.A SG THR 212.A OG1 no hydrogen 3.609 N/A GLU 215.A N GLU 219.A OE2 no hydrogen 2.950 N/A GLU 218.A N GLU 218.A OE1 no hydrogen 2.766 N/A GLU 219.A N SER 216.A OG no hydrogen 3.005 N/A ALA 220.A N SER 216.A O no hydrogen 3.003 N/A LEU 221.A N PHE 217.A O no hydrogen 3.054 N/A GLU 222.A N GLU 218.A O no hydrogen 2.899 N/A MET 223.A N GLU 219.A O no hydrogen 2.808 N/A ALA 224.A N ALA 220.A O no hydrogen 2.958 N/A SER 225.A N LEU 221.A O no hydrogen 3.010 N/A SER 225.A OG GLU 222.A O no hydrogen 2.896 N/A LYS 226.A N MET 223.A O no hydrogen 3.055 N/A GLY 227.A N ALA 224.A O no hydrogen 3.231 N/A ASP 228.A N ASP 274.A OD1 no hydrogen 2.834 N/A THR 230.A N ASP 228.A OD1 no hydrogen 2.965 N/A THR 230.A OG1 ASP 228.A OD1 no hydrogen 2.678 N/A THR 230.A OG1 ASP 228.A OD2 no hydrogen 3.054 N/A GLN 231.A N ASP 228.A O no hydrogen 3.215 N/A GLN 231.A NE2 ASP 228.A OD2 no hydrogen 3.106 N/A ALA 232.A N SER 229.A O no hydrogen 3.009 N/A ASP 233.A N SER 229.A O no hydrogen 2.976 N/A LYS 234.A N SER 256.A O no hydrogen 2.984 N/A LYS 234.A NZ TYR 263.A OH no hydrogen 3.028 N/A LEU 235.A N ASP 238.A OD2 no hydrogen 2.807 N/A VAL 236.A N ALA 253.A O no hydrogen 2.860 N/A ARG 237.A N GLY 251.A O no hydrogen 2.928 N/A ASP 238.A N LEU 235.A O no hydrogen 2.838 N/A ILE 239.A N VAL 236.A O no hydrogen 2.969 N/A TYR 240.A N VAL 236.A O no hydrogen 2.855 N/A GLY 241.A N ARG 237.A O no hydrogen 2.919 N/A TYR 244.A N LEU 249.A O no hydrogen 2.935 N/A GLY 248.A N GLU 245.A O no hydrogen 2.923 N/A LEU 249.A N TYR 244.A O no hydrogen 2.971 N/A ALA 253.A N PRO 250.A O no hydrogen 3.112 N/A ALA 255.A N LYS 234.A O no hydrogen 2.852 N/A SER 256.A N LYS 234.A O no hydrogen 2.968 N/A PHE 258.A N ASP 233.A OD1 no hydrogen 2.756 N/A GLY 259.A N SER 256.A O no hydrogen 2.904 N/A ASN 260.A N ALA 232.A O no hydrogen 2.972 N/A MET 261.A N PHE 258.A O no hydrogen 2.950 N/A TYR 263.A N ASN 260.A O no hydrogen 3.341 N/A GLU 265.A N GLU 265.A OE1 no hydrogen 2.697 N/A LYS 266.A N TYR 263.A O no hydrogen 3.064 N/A ARG 267.A N TYR 263.A O no hydrogen 3.050 N/A ARG 267.A NH1 MET 261.A O no hydrogen 2.824 N/A GLU 268.A N LYS 264.A O no hydrogen 2.995 N/A SER 269.A N LYS 266.A O no hydrogen 3.134 N/A SER 269.A OG GLU 265.A O no hydrogen 3.529 N/A SER 269.A OG LYS 266.A O no hydrogen 3.317 N/A VAL 270.A N LYS 266.A O no hydrogen 3.099 N/A SER 271.A N ASP 274.A OD2 no hydrogen 3.341 N/A SER 271.A OG GLU 273.A OE1 no hydrogen 3.520 N/A GLU 273.A N GLU 273.A OE1 no hydrogen 2.966 N/A ASP 274.A N SER 271.A OG no hydrogen 3.071 N/A LEU 275.A N SER 271.A O no hydrogen 3.097 N/A ALA 276.A N LYS 272.A O no hydrogen 2.847 N/A ARG 277.A N GLU 273.A O no hydrogen 3.012 N/A ARG 277.A NH1 ALA 224.A O no hydrogen 2.937 N/A ALA 278.A N ASP 274.A O no hydrogen 2.897 N/A THR 279.A N LEU 275.A O no hydrogen 2.986 N/A THR 279.A OG1 LEU 275.A O no hydrogen 2.652 N/A LEU 280.A N ALA 276.A O no hydrogen 3.049 N/A VAL 281.A N ARG 277.A O no hydrogen 2.811 N/A THR 282.A N ALA 278.A O no hydrogen 2.892 N/A THR 282.A OG1 ALA 278.A O no hydrogen 2.581 N/A ILE 283.A N THR 279.A O no hydrogen 3.003 N/A THR 284.A N LEU 280.A O no hydrogen 2.892 N/A THR 284.A OG1 LEU 280.A O no hydrogen 2.688 N/A THR 284.A OG1 SER 316.A OG no hydrogen 2.846 N/A ASN 285.A N VAL 281.A O no hydrogen 2.853 N/A ASN 286.A N THR 282.A O no hydrogen 3.137 N/A ILE 287.A N ILE 283.A O no hydrogen 3.082 N/A GLY 288.A N THR 284.A O no hydrogen 2.934 N/A SER 289.A N ASN 285.A O no hydrogen 2.923 N/A VAL 290.A N ASN 286.A O no hydrogen 2.959 N/A ALA 291.A N ILE 287.A O no hydrogen 2.773 N/A ARG 292.A N GLY 288.A O no hydrogen 2.919 N/A MET 293.A N SER 289.A O no hydrogen 3.097 N/A CYS 294.A N VAL 290.A O no hydrogen 3.053 N/A CYS 294.A SG VAL 290.A O no hydrogen 3.460 N/A ALA 295.A N ALA 291.A O no hydrogen 3.046 N/A VAL 296.A N ARG 292.A O no hydrogen 3.001 N/A ASN 297.A N MET 293.A O no hydrogen 2.925 N/A GLU 298.A N CYS 294.A O no hydrogen 2.704 N/A LYS 299.A N VAL 296.A O no hydrogen 3.282 N/A ILE 300.A N ALA 295.A O no hydrogen 2.981 N/A ARG 302.A NE PRO 170.A O no hydrogen 3.519 N/A ARG 302.A NH1 ASP 167.A O no hydrogen 3.095 N/A ARG 302.A NH2 ASP 167.A O no hydrogen 2.925 N/A ARG 302.A NH2 PRO 170.A O no hydrogen 3.197 N/A VAL 303.A N LYS 333.A O no hydrogen 3.031 N/A VAL 304.A N LEU 172.A O no hydrogen 2.731 N/A PHE 305.A N LEU 335.A O no hydrogen 2.895 N/A VAL 306.A N VAL 174.A O no hydrogen 2.878 N/A GLY 307.A N GLU 340.A O no hydrogen 2.859 N/A PHE 309.A N ILE 176.A O no hydrogen 3.401 N/A ARG 311.A N ASN 308.A O no hydrogen 3.160 N/A ARG 311.A NH1 GLU 218.A OE2 no hydrogen 2.764 N/A ASN 313.A N LEU 310.A O no hydrogen 3.203 N/A ASN 313.A ND2 PHE 309.A O no hydrogen 2.991 N/A ASN 313.A ND2 SER 316.A OG no hydrogen 2.896 N/A SER 316.A N ASN 313.A OD1 no hydrogen 3.100 N/A SER 316.A OG THR 284.A OG1 no hydrogen 2.846 N/A MET 317.A N ASN 313.A O no hydrogen 3.347 N/A LYS 318.A N THR 314.A O no hydrogen 2.927 N/A LEU 319.A N LEU 315.A O no hydrogen 2.943 N/A LEU 320.A N SER 316.A O no hydrogen 2.916 N/A ALA 321.A N MET 317.A O no hydrogen 2.870 N/A TYR 322.A N LYS 318.A O no hydrogen 2.860 N/A ALA 323.A N LEU 319.A O no hydrogen 2.975 N/A LEU 324.A N LEU 320.A O no hydrogen 3.108 N/A ASP 325.A N ALA 321.A O no hydrogen 3.278 N/A TYR 326.A N TYR 322.A O no hydrogen 2.829 N/A TRP 327.A N ALA 323.A O no hydrogen 3.005 N/A SER 328.A N LEU 324.A O no hydrogen 3.206 N/A SER 328.A OG LEU 324.A O no hydrogen 2.672 N/A LYS 329.A N TYR 326.A O no hydrogen 3.031 N/A GLY 330.A N ASP 325.A O no hydrogen 2.967 N/A GLN 331.A N SER 328.A O no hydrogen 2.983 N/A GLN 331.A NE2 SER 328.A O no hydrogen 3.457 N/A LEU 332.A N SER 328.A OG no hydrogen 2.771 N/A LYS 333.A N ASN 301.A O no hydrogen 3.056 N/A LEU 335.A N VAL 303.A O no hydrogen 2.698 N/A PHE 336.A N TYR 147.A O no hydrogen 2.862 N/A GLU 338.A N GLU 145.A O no hydrogen 3.091 N/A HIS 339.A N GLU 145.A OE2 no hydrogen 2.856 N/A HIS 339.A ND1 GLU 145.A OE1 no hydrogen 2.565 N/A HIS 339.A NE2 LEU 58.A O no hydrogen 2.715 N/A GLU 340.A N LEU 337.A O no hydrogen 3.145 N/A TYR 342.A N HIS 339.A O no hydrogen 2.983 N/A TYR 342.A OH ASP 55.A OD2 no hydrogen 2.584 N/A VAL 346.A N TYR 342.A O no hydrogen 3.108 N/A GLY 347.A N PHE 343.A O no hydrogen 2.931 N/A ALA 348.A N GLY 344.A O no hydrogen 2.933 N/A LEU 349.A N ALA 345.A O no hydrogen 3.117 N/A LEU 350.A N VAL 346.A O no hydrogen 2.979 N/A GLY 351.A N ALA 348.A O no hydrogen 2.907 N/A LEU 352.A N LEU 349.A O no hydrogen 3.107 N/A ASN 354.A N GLY 351.A O no hydrogen 3.176 N/A PHE 355.A N LEU 352.A O no hydrogen 3.273 N/A