Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1lkc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A NE2 GLU 103.A OE2 no hydrogen 2.599 N/A GLY 3.A N SER 23.A OG no hydrogen 2.788 N/A PRO 8.A N ASN 4.A O no hydrogen 2.991 N/A ALA 9.A N ILE 5.A O no hydrogen 2.869 N/A THR 10.A N ARG 6.A O no hydrogen 2.875 N/A THR 10.A OG1 ARG 6.A O no hydrogen 2.785 N/A VAL 11.A N GLU 7.A O no hydrogen 3.062 N/A LEU 12.A N PRO 8.A O no hydrogen 3.303 N/A LEU 12.A N ALA 9.A O no hydrogen 3.264 N/A GLY 13.A N THR 10.A O no hydrogen 3.171 N/A ILE 14.A N ALA 9.A O no hydrogen 2.883 N/A GLN 18.A N SER 15.A O no hydrogen 2.900 N/A LEU 19.A N PRO 16.A O no hydrogen 3.249 N/A LEU 20.A N ARG 312.A O no hydrogen 2.955 N/A PHE 22.A N LEU 314.A O no hydrogen 2.738 N/A SER 23.A N ASP 21.A OD1 no hydrogen 2.833 N/A SER 23.A OG ASP 21.A OD1 no hydrogen 2.624 N/A ASN 27.A N LYS 209.A O no hydrogen 2.924 N/A ASN 27.A ND2 PHE 210.A O no hydrogen 3.005 N/A ASN 27.A ND2 THR 262.A OG1 no hydrogen 3.050 N/A LEU 29.A N ASN 27.A OD1 no hydrogen 2.906 N/A GLY 30.A N ASN 27.A O no hydrogen 3.208 N/A LYS 36.A N PRO 32.A O no hydrogen 3.184 N/A ARG 37.A N VAL 33.A O no hydrogen 3.039 N/A ALA 38.A N SER 34.A O no hydrogen 3.018 N/A LEU 39.A N VAL 35.A O no hydrogen 2.988 N/A ILE 40.A N LYS 36.A O no hydrogen 2.992 N/A ASP 41.A N ARG 37.A O no hydrogen 2.853 N/A ASN 42.A N LEU 39.A O no hydrogen 3.305 N/A ASN 42.A ND2 ALA 38.A O no hydrogen 2.811 N/A CYS 45.A N ASN 42.A O no hydrogen 2.843 N/A CYS 45.A SG ASN 42.A O no hydrogen 3.198 N/A ILE 46.A N LEU 43.A O no hydrogen 3.070 N/A GLU 47.A N ASP 44.A O no hydrogen 3.085 N/A ARG 48.A N CYS 45.A O no hydrogen 3.084 N/A ASP 53.A N ASP 51.A OD1 no hydrogen 2.878 N/A TYR 54.A N ASP 51.A O no hydrogen 2.777 N/A TYR 54.A OH VAL 241.A O no hydrogen 2.618 N/A PHE 55.A N ASP 51.A OD2 no hydrogen 3.027 N/A HIS 58.A N TYR 54.A O no hydrogen 2.919 N/A GLN 59.A N PHE 55.A O no hydrogen 2.813 N/A ALA 60.A N HIS 56.A O no hydrogen 2.990 N/A LEU 61.A N LEU 57.A O no hydrogen 2.959 N/A ALA 62.A N HIS 58.A O no hydrogen 2.833 N/A ARG 63.A N GLN 59.A O no hydrogen 2.813 N/A HIS 64.A N ALA 60.A O no hydrogen 2.963 N/A HIS 65.A N LEU 61.A O no hydrogen 3.123 N/A HIS 65.A NE2 TYR 220.A OH no hydrogen 2.669 N/A GLN 66.A N ARG 63.A O no hydrogen 3.306 N/A VAL 67.A N ALA 62.A O no hydrogen 3.121 N/A TRP 71.A N PRO 68.A O no hydrogen 3.108 N/A ILE 72.A N ALA 69.A O no hydrogen 3.048 N/A LEU 73.A N LEU 221.A O no hydrogen 3.049 N/A GLY 75.A N GLY 219.A O no hydrogen 2.794 N/A ASN 76.A N GLU 80.A OE1 no hydrogen 2.699 N/A GLY 77.A N GLY 75.A O no hydrogen 2.715 N/A GLU 80.A N GLY 77.A O no hydrogen 2.974 N/A ILE 82.A N GLU 78.A O no hydrogen 2.877 N/A PHE 83.A N THR 79.A O no hydrogen 3.209 N/A THR 84.A N GLU 80.A O no hydrogen 2.758 N/A THR 84.A OG1 GLU 80.A O no hydrogen 3.127 N/A VAL 85.A N SER 81.A O no hydrogen 2.892 N/A ALA 86.A N ILE 82.A O no hydrogen 3.026 N/A SER 87.A N PHE 83.A O no hydrogen 2.925 N/A SER 87.A OG PHE 83.A O no hydrogen 3.086 N/A SER 87.A OG THR 84.A O no hydrogen 3.191 N/A GLY 88.A N THR 84.A O no hydrogen 2.752 N/A LEU 89.A N VAL 85.A O no hydrogen 2.855 N/A LYS 90.A N ALA 86.A O no hydrogen 2.878 N/A ARG 92.A N ASP 141.A OD2 no hydrogen 2.640 N/A ARG 92.A NE ASP 141.A OD2 no hydrogen 2.826 N/A ARG 92.A NH2 ASP 141.A OD1 no hydrogen 3.049 N/A ARG 93.A N ASP 141.A OD2 no hydrogen 3.293 N/A ARG 93.A NE ASP 139.A O no hydrogen 2.740 N/A ALA 94.A N GLU 114.A O no hydrogen 3.053 N/A MET 95.A N CYS 142.A O no hydrogen 2.861 N/A ILE 96.A N ARG 116.A O no hydrogen 2.924 N/A THR 98.A N TRP 118.A O no hydrogen 3.029 N/A TYR 104.A OH ASP 178.A OD2 no hydrogen 2.662 N/A ARG 106.A N ALA 102.A O no hydrogen 3.193 N/A ARG 106.A NH1 GLU 103.A OE1 no hydrogen 3.022 N/A ALA 107.A N GLU 103.A O no hydrogen 2.845 N/A LEU 108.A N TYR 104.A O no hydrogen 2.921 N/A ALA 109.A N GLY 105.A O no hydrogen 2.941 N/A GLN 110.A N ARG 106.A O no hydrogen 3.078 N/A SER 111.A N ALA 107.A O no hydrogen 3.068 N/A SER 111.A OG ALA 107.A O no hydrogen 3.410 N/A SER 111.A OG LEU 108.A O no hydrogen 3.036 N/A GLY 112.A N ALA 109.A O no hydrogen 3.054 N/A CYS 113.A N LEU 108.A O no hydrogen 3.057 N/A CYS 113.A SG PRO 91.A O no hydrogen 3.346 N/A CYS 113.A SG GLU 114.A O no hydrogen 3.499 N/A GLU 114.A N ARG 92.A O no hydrogen 2.811 N/A ARG 116.A N ALA 94.A O no hydrogen 2.796 N/A ARG 116.A NE GLU 114.A OE1 no hydrogen 3.409 N/A ARG 116.A NH1 ASP 139.A OD1 no hydrogen 2.770 N/A ARG 116.A NH1 ASP 139.A OD2 no hydrogen 3.428 N/A ARG 116.A NH2 ASP 139.A OD2 no hydrogen 2.689 N/A TRP 118.A N ILE 96.A O no hydrogen 2.823 N/A LEU 120.A N THR 98.A O no hydrogen 2.847 N/A ASP 124.A N ARG 121.A O no hydrogen 2.843 N/A GLY 125.A N GLU 122.A O no hydrogen 2.902 N/A TRP 126.A N ARG 121.A O no hydrogen 3.013 N/A TRP 126.A NE1 TYR 328.A OH no hydrogen 3.183 N/A GLN 127.A N ASP 124.A O no hydrogen 3.095 N/A ALA 131.A N THR 129.A OG1 no hydrogen 3.419 N/A ILE 132.A N THR 129.A O no hydrogen 3.245 N/A LEU 133.A N ASP 130.A O no hydrogen 3.035 N/A LEU 136.A N LEU 133.A O no hydrogen 3.153 N/A THR 137.A OG1 ASP 139.A OD1 no hydrogen 2.650 N/A LEU 140.A N THR 137.A O no hydrogen 2.971 N/A ASP 141.A N ARG 93.A O no hydrogen 2.807 N/A LEU 143.A N ASN 174.A O no hydrogen 2.812 N/A PHE 144.A N MET 95.A O no hydrogen 2.962 N/A LEU 145.A N ILE 176.A O no hydrogen 2.923 N/A CYS 146.A SG PRO 148.A O no hydrogen 3.328 N/A THR 147.A N ASP 178.A O no hydrogen 2.789 N/A ASN 149.A N LEU 154.A O no hydrogen 2.899 N/A ASN 149.A ND2 PRO 99.A O no hydrogen 3.045 N/A GLY 153.A N ASN 149.A O no hydrogen 2.792 N/A LEU 154.A N THR 152.A OG1 no hydrogen 3.233 N/A GLU 157.A N GLU 157.A OE1 no hydrogen 2.652 N/A ARG 158.A NH1 GLY 190.A O no hydrogen 3.412 N/A LEU 160.A N GLU 157.A O no hydrogen 3.050 N/A LEU 161.A N GLU 157.A O no hydrogen 3.164 N/A GLN 162.A N ARG 158.A O no hydrogen 2.774 N/A ALA 163.A N PRO 159.A O no hydrogen 2.944 N/A ILE 164.A N LEU 160.A O no hydrogen 2.884 N/A ALA 165.A N LEU 161.A O no hydrogen 2.743 N/A ASP 166.A N GLN 162.A O no hydrogen 2.819 N/A ARG 167.A N ALA 163.A O no hydrogen 2.957 N/A ARG 167.A NE LEU 133.A O no hydrogen 2.582 N/A ARG 167.A NH2 LEU 133.A O no hydrogen 3.533 N/A CYS 168.A N ILE 164.A O no hydrogen 2.808 N/A CYS 168.A SG ILE 164.A O no hydrogen 3.389 N/A LYS 169.A N ALA 165.A O no hydrogen 3.008 N/A LYS 169.A NZ ASP 197.A O no hydrogen 3.487 N/A LYS 169.A NZ ASN 198.A OD1 no hydrogen 3.029 N/A SER 170.A N ASP 166.A O no hydrogen 3.022 N/A SER 170.A OG ASP 166.A O no hydrogen 2.995 N/A SER 170.A OG ARG 167.A O no hydrogen 2.750 N/A LEU 171.A N ARG 167.A O no hydrogen 2.978 N/A ASN 172.A N LYS 169.A O no hydrogen 3.328 N/A ILE 173.A N CYS 168.A O no hydrogen 2.800 N/A ASN 174.A N ASP 141.A O no hydrogen 2.831 N/A ASN 174.A ND2 ASP 141.A O no hydrogen 3.585 N/A LEU 175.A N HIS 200.A O no hydrogen 2.859 N/A ILE 176.A N LEU 143.A O no hydrogen 2.910 N/A LEU 177.A N TRP 202.A O no hydrogen 2.775 N/A ASP 178.A N LEU 145.A O no hydrogen 2.838 N/A GLU 179.A N LEU 204.A O no hydrogen 2.903 N/A ALA 180.A N ASP 178.A OD1 no hydrogen 3.048 N/A ILE 182.A N GLU 179.A O no hydrogen 3.071 N/A PHE 184.A N PHE 181.A O no hydrogen 3.116 N/A ILE 185.A N ILE 182.A O no hydrogen 3.144 N/A GLU 188.A N ILE 185.A O no hydrogen 3.203 N/A THR 189.A OG1 GLY 190.A O no hydrogen 3.139 N/A PHE 191.A N GLU 179.A OE2 no hydrogen 2.678 N/A ALA 194.A N PHE 191.A O no hydrogen 2.783 N/A LEU 195.A N ILE 192.A O no hydrogen 3.186 N/A ASN 198.A N LEU 195.A O no hydrogen 2.865 N/A ASN 198.A ND2 ALA 194.A O no hydrogen 2.784 N/A ILE 201.A N ASN 198.A O no hydrogen 3.041 N/A TRP 202.A N LEU 175.A O no hydrogen 2.778 N/A VAL 203.A N VAL 222.A O no hydrogen 2.968 N/A LEU 204.A N LEU 177.A O no hydrogen 2.989 N/A ARG 205.A N TYR 220.A O no hydrogen 2.835 N/A ARG 205.A NE GLU 179.A OE1 no hydrogen 2.772 N/A ARG 205.A NH1 ASP 183.A OD1 no hydrogen 3.170 N/A LEU 207.A N LEU 218.A O no hydrogen 2.902 N/A THR 208.A N SER 206.A OG no hydrogen 2.965 N/A TYR 211.A N LEU 207.A O no hydrogen 3.077 N/A ALA 212.A N LYS 209.A O no hydrogen 3.331 N/A ILE 213.A N THR 208.A O no hydrogen 3.223 N/A LEU 216.A N ILE 213.A O no hydrogen 3.050 N/A ARG 217.A NH1 PRO 214.A O no hydrogen 3.156 N/A GLY 219.A N GLY 75.A O no hydrogen 3.051 N/A TYR 220.A N ARG 205.A O no hydrogen 2.915 N/A TYR 220.A OH HIS 65.A NE2 no hydrogen 2.669 N/A LEU 221.A N LEU 73.A O no hydrogen 2.920 N/A VAL 222.A N VAL 203.A O no hydrogen 2.844 N/A ASN 223.A N TRP 71.A O no hydrogen 2.935 N/A SER 224.A OG LEU 195.A O no hydrogen 2.714 N/A ALA 228.A N ASP 225.A OD2 no hydrogen 3.109 N/A MET 229.A N ASP 225.A O no hydrogen 3.082 N/A ALA 230.A N ASP 226.A O no hydrogen 3.000 N/A ARG 231.A N ALA 227.A O no hydrogen 2.981 N/A ARG 231.A NH1 GLY 88.A O no hydrogen 3.156 N/A MET 232.A N ALA 228.A O no hydrogen 2.963 N/A ARG 233.A N MET 229.A O no hydrogen 3.071 N/A ARG 233.A NH2 SER 70.A O no hydrogen 2.833 N/A ARG 233.A NH2 ILE 72.A O no hydrogen 2.963 N/A ARG 234.A N ALA 230.A O no hydrogen 3.371 N/A GLN 235.A N ARG 231.A O no hydrogen 2.932 N/A GLN 236.A N MET 232.A O no hydrogen 3.107 N/A SER 240.A OG GLU 80.A OE1 no hydrogen 2.725 N/A SER 240.A OG GLU 80.A OE2 no hydrogen 3.424 N/A ASN 242.A ND2 LEU 216.A O no hydrogen 2.869 N/A ALA 245.A N ASN 242.A OD1 no hydrogen 2.784 N/A ALA 246.A N ASN 242.A O no hydrogen 3.087 N/A LEU 247.A N ALA 243.A O no hydrogen 3.018 N/A ALA 248.A N LEU 244.A O no hydrogen 2.752 N/A GLY 249.A N ALA 245.A O no hydrogen 2.831 N/A GLU 250.A N ALA 246.A O no hydrogen 3.248 N/A VAL 251.A N LEU 247.A O no hydrogen 3.072 N/A ALA 252.A N ALA 248.A O no hydrogen 2.774 N/A LEU 253.A N GLY 249.A O no hydrogen 3.182 N/A GLN 254.A N VAL 251.A O no hydrogen 2.700 N/A ASP 255.A N ALA 252.A O no hydrogen 3.141 N/A ALA 257.A N ASP 255.A OD1 no hydrogen 3.319 N/A TRP 258.A N ASP 255.A OD1 no hydrogen 3.136 N/A TRP 258.A NE1 PHE 210.A O no hydrogen 2.919 N/A ALA 261.A N ALA 257.A O no hydrogen 3.031 N/A THR 262.A N TRP 258.A O no hydrogen 3.116 N/A THR 262.A N GLN 259.A O no hydrogen 2.966 N/A THR 262.A OG1 TRP 258.A O no hydrogen 3.084 N/A TRP 263.A N GLN 259.A O no hydrogen 2.913 N/A TRP 263.A NE1 ASP 183.A O no hydrogen 3.055 N/A HIS 264.A N GLN 260.A O no hydrogen 2.870 N/A TRP 265.A N ALA 261.A O no hydrogen 3.164 N/A TRP 265.A NE1 ARG 334.A O no hydrogen 3.085 N/A LEU 266.A N THR 262.A O no hydrogen 2.820 N/A ARG 267.A N TRP 263.A O no hydrogen 2.770 N/A GLU 268.A N HIS 264.A O no hydrogen 2.888 N/A GLY 270.A N TRP 265.A O no hydrogen 3.109 N/A ARG 272.A N GLU 268.A O no hydrogen 3.018 N/A PHE 273.A N GLU 269.A O no hydrogen 2.794 N/A TYR 274.A N GLY 270.A O no hydrogen 2.966 N/A GLN 275.A N ALA 271.A O no hydrogen 2.886 N/A ALA 276.A N ARG 272.A O no hydrogen 2.915 N/A LEU 277.A N PHE 273.A O no hydrogen 2.951 N/A CYS 278.A N TYR 274.A O no hydrogen 3.035 N/A CYS 278.A SG TYR 274.A O no hydrogen 3.404 N/A GLN 279.A N GLN 275.A O no hydrogen 3.220 N/A GLN 279.A N ALA 276.A O no hydrogen 3.107 N/A LEU 280.A N LEU 277.A O no hydrogen 3.062 N/A THR 284.A N ARG 296.A O no hydrogen 2.892 N/A THR 284.A OG1 GLU 298.A OE1 no hydrogen 2.644 N/A TYR 286.A N LEU 294.A O no hydrogen 3.050 N/A TYR 286.A OH TYR 328.A OH no hydrogen 3.354 N/A GLY 288.A N TYR 286.A O no hydrogen 2.891 N/A ARG 289.A N GLY 153.A O no hydrogen 2.791 N/A ASN 291.A ND2 ASN 25.A O no hydrogen 2.908 N/A TYR 292.A OH ASN 149.A O no hydrogen 2.621 N/A LEU 293.A N VAL 331.A O no hydrogen 2.869 N/A LEU 295.A N TYR 329.A O no hydrogen 2.737 N/A ARG 296.A N THR 284.A O no hydrogen 2.797 N/A ARG 296.A NE GLU 298.A OE1 no hydrogen 2.989 N/A ARG 296.A NH1 TYR 328.A OH no hydrogen 3.406 N/A ARG 296.A NH2 GLU 298.A OE1 no hydrogen 3.279 N/A CYS 297.A N ARG 327.A O no hydrogen 2.732 N/A CYS 297.A SG LEU 282.A O no hydrogen 4.037 N/A CYS 297.A SG ARG 299.A O no hydrogen 3.528 N/A GLU 298.A N LEU 282.A O no hydrogen 2.837 N/A ARG 299.A NE ASP 301.A OD1 no hydrogen 2.981 N/A ARG 299.A NH1 ALA 354.A O no hydrogen 3.026 N/A ARG 299.A NH2 ASP 301.A OD2 no hydrogen 2.897 N/A ILE 302.A N ARG 299.A O no hydrogen 3.092 N/A LEU 304.A N TYR 329.A OH no hydrogen 3.173 N/A ARG 306.A N ASP 303.A OD1 no hydrogen 2.877 N/A ARG 307.A N ASP 303.A O no hydrogen 2.986 N/A LEU 308.A N LEU 304.A O no hydrogen 2.965 N/A LEU 309.A N GLN 305.A O no hydrogen 2.995 N/A THR 310.A N ARG 306.A O no hydrogen 3.298 N/A THR 310.A N ARG 307.A O no hydrogen 3.285 N/A THR 310.A OG1 ARG 307.A O no hydrogen 2.744 N/A GLN 311.A N LEU 308.A O no hydrogen 2.852 N/A GLN 311.A NE2 THR 310.A OG1 no hydrogen 2.848 N/A ARG 312.A N LEU 309.A O no hydrogen 2.802 N/A ARG 312.A NH1 LEU 309.A O no hydrogen 3.128 N/A ILE 313.A N LEU 308.A O no hydrogen 2.966 N/A LEU 314.A N LEU 20.A O no hydrogen 2.969 N/A ARG 316.A N ARG 330.A O no hydrogen 3.064 N/A CYS 318.A N TYR 328.A O no hydrogen 2.819 N/A ALA 319.A N SER 317.A OG no hydrogen 3.190 N/A TYR 321.A N CYS 318.A O no hydrogen 3.166 N/A LEU 324.A N TYR 321.A O no hydrogen 3.000 N/A ARG 327.A N ASP 325.A OD1 no hydrogen 2.982 N/A ARG 327.A NE ASP 325.A OD1 no hydrogen 2.952 N/A ARG 327.A NE ASP 325.A OD2 no hydrogen 3.430 N/A ARG 327.A NH2 GLU 122.A OE1 no hydrogen 3.000 N/A ARG 327.A NH2 ASP 325.A OD2 no hydrogen 2.784 N/A TYR 328.A N ASP 325.A O no hydrogen 2.969 N/A TYR 328.A OH GLU 122.A OE1 no hydrogen 2.558 N/A TYR 328.A OH TYR 286.A OH no hydrogen 3.354 N/A TYR 329.A N LEU 295.A O no hydrogen 2.934 N/A ARG 330.A N ARG 316.A O no hydrogen 2.869 N/A ARG 330.A NH1 ASN 150.A OD1 no hydrogen 2.796 N/A ARG 330.A NH2 SER 23.A O no hydrogen 2.842 N/A VAL 331.A N LEU 293.A O no hydrogen 3.010 N/A ALA 332.A N PHE 22.A O no hydrogen 2.867 N/A ILE 333.A N ASN 291.A O no hydrogen 2.977 N/A ARG 334.A N ASN 339.A OD1 no hydrogen 2.833 N/A ARG 334.A NH1 ASP 21.A O no hydrogen 2.771 N/A GLN 338.A N SER 335.A OG no hydrogen 3.270 N/A ASN 339.A N SER 335.A O no hydrogen 2.748 N/A ASN 339.A ND2 GLU 269.A OE2 no hydrogen 2.733 N/A ASN 339.A ND2 ARG 334.A O no hydrogen 3.205 N/A GLU 340.A N ALA 336.A O no hydrogen 2.873 N/A ARG 341.A N ALA 337.A O no hydrogen 3.261 N/A LEU 342.A N GLN 338.A O no hydrogen 3.113 N/A LEU 343.A N ASN 339.A O no hydrogen 2.872 N/A ALA 344.A N GLU 340.A O no hydrogen 2.956 N/A ALA 345.A N ARG 341.A O no hydrogen 3.096 N/A LEU 346.A N LEU 342.A O no hydrogen 2.843 N/A ARG 347.A N LEU 343.A O no hydrogen 2.741 N/A ASN 348.A N ALA 344.A O no hydrogen 3.036 N/A VAL 349.A N ALA 345.A O no hydrogen 3.241 N/A LEU 350.A N LEU 346.A O no hydrogen 2.890 N/A THR 351.A N ARG 347.A O no hydrogen 3.038 N/A THR 351.A OG1 ARG 347.A O no hydrogen 2.656 N/A