Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qpf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 6.A NZ LYS 44.A O no hydrogen 2.704 N/A GLN 7.A N ALA 3.A O no hydrogen 3.090 N/A ASP 8.A N GLN 4.A O no hydrogen 3.044 N/A PHE 9.A N GLU 5.A O no hydrogen 3.138 N/A VAL 10.A N LYS 6.A O no hydrogen 3.081 N/A GLN 11.A N GLN 7.A O no hydrogen 2.967 N/A HIS 12.A N PHE 9.A O no hydrogen 3.003 N/A HIS 12.A ND1 GLN 15.A OE1.A no hydrogen 2.740 N/A PHE 13.A N VAL 10.A O no hydrogen 3.040 N/A ILE 16.A N HIS 12.A O no hydrogen 3.095 N/A VAL 17.A N PHE 13.A O no hydrogen 2.926 N/A ARG 18.A N SER 14.A O no hydrogen 2.924 N/A VAL 19.A N GLN 15.A O no hydrogen 3.035 N/A LEU 20.A N ILE 16.A O no hydrogen 3.164 N/A LEU 20.A N VAL 17.A O no hydrogen 3.169 N/A THR 21.A N ARG 18.A O no hydrogen 3.166 N/A THR 21.A OG1 VAL 17.A O no hydrogen 2.633 N/A GLU 22.A N GLU 22.A OE1 no hydrogen 3.043 N/A GLY 26.A N PRO 23.A O no hydrogen 2.969 N/A ILE 29.A N ILE 25.A O no hydrogen 2.930 N/A ALA 30.A N GLY 26.A O no hydrogen 3.004 N/A ARG 31.A N ASP 27.A O no hydrogen 3.162 N/A ARG 31.A NE ASP 118.A OD1 no hydrogen 3.100 N/A ARG 31.A NE ASP 118.A OD2 no hydrogen 3.439 N/A ARG 31.A NH1 ASP 118.A OD2 no hydrogen 2.821 N/A LEU 32.A N ALA 28.A O no hydrogen 2.838 N/A LYS 33.A N ILE 29.A O no hydrogen 2.951 N/A GLU 34.A N ALA 30.A O no hydrogen 3.124 N/A VAL 35.A N ARG 31.A O no hydrogen 2.874 N/A LEU 36.A N LEU 32.A O no hydrogen 3.006 N/A GLU 37.A N LYS 33.A O no hydrogen 3.023 N/A TYR 38.A N GLU 34.A O no hydrogen 3.055 N/A TYR 38.A OH ILE 103.A O no hydrogen 2.603 N/A ASN 39.A N VAL 35.A O no hydrogen 3.017 N/A ASN 39.A ND2 VAL 35.A O no hydrogen 2.998 N/A ALA 40.A N LEU 36.A O no hydrogen 2.828 N/A GLY 42.A N TYR 45.A OH no hydrogen 2.835 N/A GLY 48.A N GLU 80.A OE2 no hydrogen 2.862 N/A LEU 49.A N TYR 45.A O no hydrogen 3.037 N/A THR 50.A N ASN 46.A O no hydrogen 2.926 N/A THR 50.A OG1 ASN 46.A O no hydrogen 2.601 N/A VAL 51.A N GLY 48.A O no hydrogen 3.105 N/A VAL 53.A N LEU 49.A O no hydrogen 2.945 N/A ALA 54.A N THR 50.A O no hydrogen 2.900 N/A PHE 55.A N VAL 51.A O no hydrogen 2.891 N/A ARG 56.A N VAL 52.A O no hydrogen 3.059 N/A ARG 56.A NH2 GLU 5.A OE2 no hydrogen 2.577 N/A GLU 57.A N VAL 53.A O no hydrogen 3.034 N/A LEU 58.A N ALA 54.A O no hydrogen 2.951 N/A LEU 58.A N PHE 55.A O no hydrogen 3.123 N/A VAL 59.A N PHE 55.A O no hydrogen 3.033 N/A ARG 62.A NH1 GLU 60.A OE2 no hydrogen 3.122 N/A LYS 63.A N GLU 60.A O no hydrogen 2.913 N/A GLN 64.A N PRO 61.A O no hydrogen 2.801 N/A GLN 64.A NE2 ARG 56.A O no hydrogen 3.176 N/A GLN 64.A NE2 VAL 59.A O no hydrogen 2.534 N/A ASP 65.A N LYS 63.A O no hydrogen 3.062 N/A SER 68.A N ASP 65.A OD2 no hydrogen 2.803 N/A SER 68.A OG ASP 65.A OD2 no hydrogen 3.271 N/A LEU 69.A N ASP 65.A O no hydrogen 2.929 N/A GLN 70.A N ALA 66.A O no hydrogen 3.016 N/A ARG 71.A N ASP 67.A O no hydrogen 3.015 N/A ALA 72.A N SER 68.A O no hydrogen 3.044 N/A TRP 73.A N LEU 69.A O no hydrogen 3.151 N/A THR 74.A N GLN 70.A O no hydrogen 2.896 N/A THR 74.A OG1 GLN 70.A O no hydrogen 2.804 N/A VAL 75.A N ARG 71.A O no hydrogen 2.908 N/A GLY 76.A N ALA 72.A O no hydrogen 2.901 N/A TRP 77.A N TRP 73.A O no hydrogen 2.908 N/A TRP 77.A NE1 PHE 9.A O no hydrogen 3.089 N/A CYS 78.A N THR 74.A O no hydrogen 2.945 N/A CYS 78.A SG THR 74.A O no hydrogen 3.470 N/A CYS 78.A SG ILE 126.A O no hydrogen 3.618 N/A VAL 79.A N VAL 75.A O no hydrogen 3.052 N/A GLU 80.A N GLY 76.A O no hydrogen 3.186 N/A LEU 81.A N TRP 77.A O no hydrogen 2.908 N/A LEU 82.A N CYS 78.A O no hydrogen 2.989 N/A GLN 83.A N VAL 79.A O no hydrogen 3.044 N/A ALA 84.A N GLU 80.A O no hydrogen 2.968 N/A PHE 85.A N LEU 81.A O no hydrogen 2.900 N/A PHE 86.A N LEU 82.A O no hydrogen 3.130 N/A LEU 87.A N GLN 83.A O no hydrogen 2.963 N/A VAL 88.A N ALA 84.A O no hydrogen 3.013 N/A ALA 89.A N PHE 85.A O no hydrogen 3.464 N/A ASP 90.A N PHE 86.A O no hydrogen 2.831 N/A ASP 91.A N LEU 87.A O no hydrogen 2.851 N/A MET 93.A N ALA 89.A O no hydrogen 3.077 N/A ASP 94.A N ASP 90.A O no hydrogen 2.826 N/A SER 95.A N ILE 92.A O no hydrogen 3.163 N/A SER 96.A N ASP 91.A O no hydrogen 2.909 N/A ARG 99.A N GLN 102.A O no hydrogen 2.824 N/A ARG 99.A NE ASP 91.A OD2 no hydrogen 2.933 N/A ARG 99.A NH2 ASP 91.A OD1 no hydrogen 2.763 N/A GLY 101.A N GLY 243.A O no hydrogen 2.873 N/A GLN 102.A N ARG 99.A O no hydrogen 3.228 N/A GLN 102.A NE2 TYR 38.A O no hydrogen 2.996 N/A CYS 104.A N LEU 97.A O no hydrogen 2.875 N/A TRP 105.A NE1 ASP 118.A OD2 no hydrogen 2.809 N/A TYR 106.A OH SER 96.A O no hydrogen 2.759 N/A GLN 107.A N CYS 104.A O no hydrogen 2.941 N/A GLN 107.A NE2 SER 96.A O no hydrogen 3.034 N/A LYS 108.A N TRP 105.A O no hydrogen 3.036 N/A VAL 111.A N LYS 108.A O no hydrogen 2.906 N/A ASP 114.A N VAL 111.A O no hydrogen 3.193 N/A ALA 115.A N GLY 112.A O no hydrogen 3.044 N/A ILE 116.A N LEU 113.A O no hydrogen 3.045 N/A ASN 117.A N ASP 114.A O no hydrogen 3.145 N/A ASP 118.A N ASP 114.A O no hydrogen 3.260 N/A ALA 119.A N ALA 115.A O no hydrogen 2.866 N/A ASN 120.A N ILE 116.A O no hydrogen 3.253 N/A LEU 121.A N ASN 117.A O no hydrogen 2.946 N/A LEU 122.A N ASP 118.A O no hydrogen 3.222 N/A GLU 123.A N ALA 119.A O no hydrogen 3.118 N/A ALA 124.A N ASN 120.A O no hydrogen 3.051 N/A CYS 125.A N LEU 121.A O no hydrogen 3.020 N/A CYS 125.A SG LEU 121.A O no hydrogen 3.392 N/A ILE 126.A N GLU 123.A O no hydrogen 3.133 N/A TYR 127.A N ALA 124.A O no hydrogen 3.148 N/A ARG 128.A N ALA 124.A O no hydrogen 3.081 N/A ARG 128.A NH1 LEU 20.A O no hydrogen 2.853 N/A LEU 129.A N CYS 125.A O no hydrogen 2.985 N/A LEU 130.A N ILE 126.A O no hydrogen 2.988 N/A LYS 131.A N TYR 127.A O no hydrogen 2.995 N/A LEU 132.A N ARG 128.A O no hydrogen 2.909 N/A TYR 133.A N LEU 129.A O no hydrogen 3.039 N/A CYS 134.A N LEU 130.A O no hydrogen 2.831 N/A GLN 137.A N CYS 134.A O no hydrogen 2.957 N/A TYR 140.A N GLN 137.A O no hydrogen 3.187 N/A LEU 143.A N TYR 139.A O no hydrogen 2.935 N/A ILE 144.A N TYR 140.A O no hydrogen 2.977 N/A GLU 145.A N LEU 141.A O no hydrogen 2.888 N/A LEU 146.A N ASN 142.A O no hydrogen 2.878 N/A PHE 147.A N LEU 143.A O no hydrogen 2.998 N/A LEU 148.A N ILE 144.A O no hydrogen 2.963 N/A GLN 149.A N GLU 145.A O no hydrogen 2.826 N/A SER 150.A N LEU 146.A O no hydrogen 2.961 N/A SER 150.A OG LEU 146.A O no hydrogen 2.705 N/A SER 151.A N PHE 147.A O no hydrogen 3.026 N/A SER 151.A OG PHE 147.A O no hydrogen 2.842 N/A TYR 152.A N LEU 148.A O no hydrogen 2.980 N/A GLN 153.A N GLN 149.A O no hydrogen 2.904 N/A THR 154.A N SER 150.A O no hydrogen 2.977 N/A THR 154.A OG1 SER 150.A O no hydrogen 2.739 N/A GLU 155.A N SER 151.A O no hydrogen 2.872 N/A ILE 156.A N TYR 152.A O no hydrogen 2.919 N/A GLY 157.A N GLN 153.A O no hydrogen 2.963 N/A GLN 158.A N THR 154.A O no hydrogen 2.801 N/A GLN 158.A NE2 ASP 90.A OD1 no hydrogen 3.043 N/A THR 159.A N GLU 155.A O no hydrogen 2.961 N/A THR 159.A OG1 GLU 155.A O no hydrogen 2.991 N/A LEU 160.A N ILE 156.A O no hydrogen 3.036 N/A ASP 161.A N GLY 157.A O no hydrogen 2.898 N/A LEU 162.A N GLN 158.A O no hydrogen 2.942 N/A LEU 163.A N THR 159.A O no hydrogen 2.913 N/A THR 164.A N LEU 160.A O no hydrogen 3.083 N/A THR 164.A OG1 LEU 160.A O no hydrogen 2.770 N/A ALA 165.A N LEU 162.A O no hydrogen 3.225 N/A ARG 174.A N ASP 171.A O no hydrogen 3.104 N/A PHE 175.A N LEU 172.A O no hydrogen 2.958 N/A THR 176.A N ARG 174.A O no hydrogen 3.010 N/A ARG 179.A N THR 176.A OG1 no hydrogen 3.035 N/A ARG 179.A NE THR 164.A OG1 no hydrogen 2.913 N/A ARG 179.A NH1 THR 164.A OG1 no hydrogen 2.981 N/A TYR 180.A N THR 176.A O no hydrogen 2.857 N/A TYR 180.A OH ASP 231.A OD2 no hydrogen 2.689 N/A LYS 181.A N GLU 177.A O no hydrogen 2.837 N/A SER 182.A N LYS 178.A O no hydrogen 3.383 N/A SER 182.A OG.A LYS 178.A O no hydrogen 3.306 N/A ILE 183.A N ARG 179.A O no hydrogen 2.956 N/A VAL 184.A N TYR 180.A O no hydrogen 3.128 N/A LYS 185.A N LYS 181.A O no hydrogen 3.175 N/A TYR 186.A N SER 182.A O no hydrogen 3.267 N/A LYS 187.A N ILE 183.A O no hydrogen 2.812 N/A LYS 187.A NZ ASP 161.A OD2 no hydrogen 2.857 N/A THR 188.A N VAL 184.A O no hydrogen 3.037 N/A THR 188.A OG1 GLN 227.A OE1 no hydrogen 2.651 N/A ALA 189.A N VAL 184.A O no hydrogen 3.097 N/A ALA 189.A N LYS 185.A O no hydrogen 3.213 N/A SER 192.A N THR 188.A O no hydrogen 3.223 N/A SER 192.A OG.A THR 188.A O no hydrogen 2.655 N/A SER 192.A OG.A ALA 189.A O no hydrogen 3.488 N/A SER 192.A OG.B THR 188.A O no hydrogen 3.161 N/A TYR 194.A OH HIS 212.A ND1 no hydrogen 3.214 N/A LEU 195.A N PHE 190.A O no hydrogen 2.946 N/A ILE 197.A N PHE 193.A O no hydrogen 3.402 N/A ALA 198.A N TYR 194.A O no hydrogen 2.801 N/A ALA 199.A N LEU 195.A O no hydrogen 2.933 N/A ALA 200.A N PRO 196.A O no hydrogen 3.065 N/A MET 201.A N ILE 197.A O no hydrogen 2.821 N/A TYR 202.A N ALA 198.A O no hydrogen 2.991 N/A MET 203.A N ALA 199.A O no hydrogen 2.965 N/A ALA 204.A N ALA 200.A O no hydrogen 2.925 N/A GLY 205.A N TYR 202.A O no hydrogen 2.960 N/A ILE 206.A N MET 201.A O no hydrogen 2.823 N/A HIS 212.A N GLY 208.A O no hydrogen 3.040 N/A HIS 212.A ND1 TYR 194.A OH no hydrogen 3.214 N/A HIS 212.A NE2 ILE 206.A O no hydrogen 2.730 N/A ALA 213.A N GLU 209.A O no hydrogen 2.914 N/A ASN 214.A N LYS 210.A O no hydrogen 2.936 N/A ALA 215.A N GLU 211.A O no hydrogen 3.047 N/A LYS 216.A N HIS 212.A O no hydrogen 2.897 N/A LYS 217.A N ALA 213.A O no hydrogen 3.086 N/A LYS 217.A N ASN 214.A O no hydrogen 3.195 N/A ILE 218.A N ALA 215.A O no hydrogen 3.205 N/A LEU 219.A N ALA 215.A O no hydrogen 2.941 N/A LEU 220.A N LYS 216.A O no hydrogen 2.942 N/A MET 222.A N ILE 218.A O no hydrogen 3.165 N/A GLY 223.A N LEU 219.A O no hydrogen 2.975 N/A GLU 224.A N LEU 220.A O no hydrogen 2.914 N/A PHE 225.A N GLU 221.A O no hydrogen 3.066 N/A PHE 226.A N MET 222.A O no hydrogen 2.995 N/A GLN 227.A N GLY 223.A O no hydrogen 3.084 N/A GLN 227.A NE2 ASP 230.A OD2 no hydrogen 3.083 N/A GLN 227.A NE2 ASP 231.A OD1 no hydrogen 2.915 N/A ILE 228.A N GLU 224.A O no hydrogen 3.054 N/A GLN 229.A N PHE 225.A O no hydrogen 2.894 N/A ASP 230.A N PHE 226.A O no hydrogen 2.947 N/A ASP 231.A N GLN 227.A O no hydrogen 2.912 N/A TYR 232.A N ILE 228.A O no hydrogen 2.893 N/A LEU 233.A N GLN 229.A O no hydrogen 2.862 N/A ASP 234.A N ASP 230.A O no hydrogen 3.015 N/A PHE 236.A N TYR 232.A O no hydrogen 2.968 N/A GLY 237.A N LEU 233.A O no hydrogen 2.903 N/A SER 240.A N ASP 238.A OD2 no hydrogen 2.983 N/A SER 240.A OG ASP 238.A OD1 no hydrogen 3.054 N/A SER 240.A OG ASP 238.A OD2 no hydrogen 2.783 N/A VAL 241.A N ASP 238.A O no hydrogen 2.729 N/A THR 242.A N ASP 238.A O no hydrogen 2.827 N/A THR 242.A OG1 LYS 244.A O no hydrogen 3.175 N/A GLY 243.A N PRO 239.A O no hydrogen 2.914 N/A LYS 244.A N THR 242.A OG1 no hydrogen 3.343 N/A LYS 244.A NZ.A ASP 230.A OD1 no hydrogen 3.117 N/A LYS 244.A NZ.B ASP 230.A OD1 no hydrogen 3.045 N/A ILE 245.A N THR 98.A OG1 no hydrogen 3.000 N/A THR 247.A OG1 ASP 251.A OD2 no hydrogen 3.166 N/A ASP 248.A N ASP 234.A OD2 no hydrogen 2.913 N/A ASP 251.A N THR 247.A O no hydrogen 2.895 N/A ASN 252.A N ILE 249.A O no hydrogen 3.129 N/A ASN 252.A ND2 PRO 166.A O no hydrogen 2.965 N/A LYS 253.A N ASP 248.A O no hydrogen 3.006 N/A LYS 253.A NZ.A ASP 94.A OD1 no hydrogen 2.800 N/A LYS 253.A NZ.A ASP 161.A OD1 no hydrogen 2.790 N/A LYS 253.A NZ.B ASP 94.A OD1 no hydrogen 2.731 N/A TRP 256.A N ASP 231.A OD2 no hydrogen 2.934 N/A LEU 257.A N SER 255.A OG.A no hydrogen 3.095 N/A VAL 258.A N SER 255.A OG.B no hydrogen 2.959 N/A VAL 259.A N SER 255.A O no hydrogen 3.156 N/A GLN 260.A N TRP 256.A O no hydrogen 3.024 N/A GLN 260.A NE2 GLN 263.A OE1 no hydrogen 3.557 N/A CYS 261.A N LEU 257.A O no hydrogen 2.810 N/A LEU 262.A N VAL 258.A O no hydrogen 3.017 N/A GLN 263.A N VAL 259.A O no hydrogen 3.158 N/A ARG 264.A N CYS 261.A O no hydrogen 3.094 N/A ARG 264.A NH1 GLN 260.A O no hydrogen 3.198 N/A THR 266.A N GLN 269.A OE1 no hydrogen 2.921 N/A THR 266.A OG1 GLU 268.A OE1 no hydrogen 3.300 N/A THR 266.A OG1 GLN 269.A OE1 no hydrogen 3.397 N/A GLU 268.A N GLU 268.A OE1 no hydrogen 2.881 N/A GLN 269.A N THR 266.A OG1 no hydrogen 3.090 N/A GLN 269.A NE2 GLU 294.A OE1.B no hydrogen 2.805 N/A TYR 270.A N THR 266.A O no hydrogen 2.780 N/A GLN 271.A N PRO 267.A O no hydrogen 2.996 N/A ILE 272.A N GLU 268.A O no hydrogen 3.159 N/A LEU 273.A N GLN 269.A O no hydrogen 3.058 N/A LYS 274.A N TYR 270.A O no hydrogen 2.864 N/A GLU 275.A N GLN 271.A O no hydrogen 2.885 N/A ASN 276.A N LEU 273.A O no hydrogen 3.110 N/A ASN 276.A ND2 ILE 272.A O no hydrogen 2.725 N/A TYR 277.A N LEU 273.A O no hydrogen 2.916 N/A TYR 277.A OH LYS 253.A O no hydrogen 2.620 N/A GLY 278.A N ILE 249.A O no hydrogen 2.900 N/A GLN 279.A NE2 GLU 275.A O no hydrogen 3.061 N/A GLN 279.A NE2 TYR 277.A O no hydrogen 3.033 N/A GLU 281.A N GLU 281.A OE1 no hydrogen 2.943 N/A LYS 284.A N GLU 281.A O no hydrogen 3.051 N/A VAL 285.A N GLU 281.A O no hydrogen 3.156 N/A ALA 286.A N ALA 282.A O no hydrogen 2.844 N/A ARG 287.A N GLU 283.A O no hydrogen 3.132 N/A ARG 287.A NH1 ASN 276.A OD1 no hydrogen 2.949 N/A VAL 288.A N LYS 284.A O no hydrogen 3.172 N/A LYS 289.A N VAL 285.A O no hydrogen 3.091 N/A ALA 290.A N ALA 286.A O no hydrogen 2.986 N/A LEU 291.A N ARG 287.A O no hydrogen 3.106 N/A TYR 292.A N VAL 288.A O no hydrogen 2.954 N/A GLU 293.A N LYS 289.A O no hydrogen 3.022 N/A GLU 294.A N ALA 290.A O no hydrogen 2.896 N/A LEU 295.A N LEU 291.A O no hydrogen 2.999 N/A ASP 296.A N GLU 293.A O no hydrogen 3.087 N/A LEU 297.A N TYR 292.A O no hydrogen 3.056 N/A VAL 300.A N ASP 296.A O no hydrogen 3.138 N/A PHE 301.A N LEU 297.A O no hydrogen 2.836 N/A LEU 302.A N PRO 298.A O no hydrogen 3.038 N/A GLN 303.A N ALA 299.A O no hydrogen 3.007 N/A GLN 303.A NE2 ASP 307.A OD1 no hydrogen 3.172 N/A GLN 303.A NE2 ASP 307.A OD2 no hydrogen 3.258 N/A TYR 304.A N VAL 300.A O no hydrogen 2.926 N/A GLU 305.A N PHE 301.A O no hydrogen 2.901 N/A GLU 306.A N LEU 302.A O no hydrogen 3.200 N/A ASP 307.A N GLN 303.A O no hydrogen 2.952 N/A SER 308.A N TYR 304.A O no hydrogen 2.722 N/A SER 308.A OG TYR 336.A OH no hydrogen 2.743 N/A TYR 309.A N GLU 305.A O no hydrogen 2.956 N/A SER 310.A N GLU 306.A O no hydrogen 3.093 N/A SER 310.A OG GLU 306.A O no hydrogen 3.380 N/A HIS 311.A N ASP 307.A O no hydrogen 3.079 N/A ILE 312.A N SER 308.A O no hydrogen 2.924 N/A MET 313.A N TYR 309.A O no hydrogen 2.977 N/A ALA 314.A N SER 310.A O no hydrogen 2.905 N/A LEU 315.A N HIS 311.A O no hydrogen 2.912 N/A ILE 316.A N ILE 312.A O no hydrogen 2.907 N/A GLU 317.A N MET 313.A O no hydrogen 3.062 N/A GLN 318.A N ALA 314.A O no hydrogen 3.014 N/A TYR 319.A N LEU 315.A O no hydrogen 2.801 N/A ALA 320.A N ILE 316.A O no hydrogen 2.965 N/A LEU 323.A N ALA 320.A O no hydrogen 2.958 N/A VAL 327.A N PRO 324.A O no hydrogen 2.968 N/A PHE 328.A N PRO 325.A O no hydrogen 2.937 N/A LEU 329.A N PRO 325.A O no hydrogen 2.941 N/A GLY 330.A N ALA 326.A O no hydrogen 3.038 N/A ALA 332.A N PHE 328.A O no hydrogen 2.934 N/A ARG 333.A N LEU 329.A O no hydrogen 2.949 N/A LYS 334.A N GLY 330.A O no hydrogen 3.310 N/A ILE 335.A N LEU 331.A O no hydrogen 2.903 N/A TYR 336.A N ALA 332.A O no hydrogen 2.959 N/A TYR 336.A OH SER 308.A OG no hydrogen 2.743 N/A