Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4weq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG PRO 3.A O no hydrogen 2.785 N/A VAL 4.A N GLU 27.A O no hydrogen 2.905 N/A ILE 5.A N TYR 46.A O no hydrogen 3.043 N/A VAL 6.A N ILE 29.A O no hydrogen 2.866 N/A ASP 7.A N VAL 48.A O no hydrogen 2.869 N/A LYS 9.A N TRP 50.A O no hydrogen 2.971 N/A GLU 13.A N GLU 13.A OE2 no hydrogen 2.713 N/A VAL 15.A N ILE 11.A O no hydrogen 3.200 N/A GLU 16.A N PRO 12.A O no hydrogen 2.881 N/A ALA 17.A N GLU 13.A O no hydrogen 2.824 N/A ALA 18.A N GLU 14.A O no hydrogen 2.970 N/A LEU 19.A N VAL 15.A O no hydrogen 2.957 N/A LEU 19.A N GLU 16.A O no hydrogen 3.132 N/A ALA 20.A N ALA 17.A O no hydrogen 3.442 N/A ALA 22.A N LEU 19.A O no hydrogen 2.814 N/A PHE 23.A N GLU 294.A OE2 no hydrogen 2.737 N/A ARG 26.A N PHE 23.A O no hydrogen 3.025 N/A ARG 26.A NH1 SER 2.A O no hydrogen 2.796 N/A ARG 26.A NH2 GLU 301.A OE1 no hydrogen 2.711 N/A ARG 26.A NH2 GLU 301.A OE2 no hydrogen 3.274 N/A ILE 29.A N VAL 4.A O no hydrogen 2.836 N/A LEU 31.A N VAL 6.A O no hydrogen 2.795 N/A ALA 32.A N ASP 30.A OD1 no hydrogen 2.928 N/A ASP 33.A N ASP 30.A O no hydrogen 3.018 N/A ALA 35.A N ASP 33.A OD1 no hydrogen 2.972 N/A HIS 36.A N ASP 33.A O no hydrogen 2.999 N/A GLN 37.A N PRO 34.A O no hydrogen 3.066 N/A ARG 39.A NE ASP 40.A O no hydrogen 3.368 N/A ARG 39.A NH1 GLU 27.A OE2 no hydrogen 2.745 N/A ARG 39.A NH2 GLU 27.A OE1 no hydrogen 3.269 N/A ARG 39.A NH2 GLU 27.A OE2 no hydrogen 3.536 N/A SER 42.A N ASP 40.A OD2 no hydrogen 2.955 N/A SER 42.A OG ASP 40.A OD2 no hydrogen 3.176 N/A GLY 43.A N ASP 62.A OD2 no hydrogen 2.795 N/A ASP 45.A N SER 2.A OG no hydrogen 2.842 N/A TYR 46.A OH GLU 301.A OE1 no hydrogen 2.816 N/A VAL 48.A N ILE 5.A O no hydrogen 2.821 N/A VAL 49.A N PHE 67.A O no hydrogen 2.891 N/A TRP 50.A N ASP 7.A O no hydrogen 3.004 N/A ALA 53.A N ASP 7.A OD2 no hydrogen 3.414 N/A LEU 56.A N ALA 53.A O no hydrogen 3.058 N/A SER 58.A OG ASP 55.A O no hydrogen 2.799 N/A ARG 59.A N ASP 55.A O no hydrogen 3.098 N/A ARG 59.A NH2 HIS 36.A O no hydrogen 3.166 N/A ARG 59.A NH2 ARG 39.A O no hydrogen 2.698 N/A ALA 60.A N LEU 56.A O no hydrogen 2.935 N/A LYS 64.A N ASP 45.A O no hydrogen 2.733 N/A VAL 65.A N ASP 45.A O no hydrogen 3.142 N/A VAL 66.A N PRO 86.A O no hydrogen 3.159 N/A PHE 67.A N ALA 47.A O no hydrogen 2.842 N/A SER 68.A N VAL 88.A O no hydrogen 2.928 N/A SER 68.A OG GLY 70.A O no hydrogen 2.983 N/A GLY 69.A N VAL 49.A O no hydrogen 2.806 N/A GLY 70.A N SER 68.A OG no hydrogen 3.176 N/A LEU 77.A N VAL 73.A O no hydrogen 3.068 N/A THR 78.A N HIS 75.A O no hydrogen 2.979 N/A THR 78.A OG1 HIS 75.A O no hydrogen 2.575 N/A LEU 79.A N VAL 76.A O no hydrogen 3.072 N/A LEU 82.A N LEU 79.A O no hydrogen 3.067 N/A VAL 88.A N VAL 66.A O no hydrogen 2.821 N/A ARG 89.A N HIS 308.A O no hydrogen 2.992 N/A ARG 89.A NH1 ALA 71.A O no hydrogen 3.205 N/A PHE 90.A N GLY 70.A O no hydrogen 3.138 N/A THR 94.A N ASP 92.A OD2 no hydrogen 2.939 N/A THR 94.A OG1 ASP 92.A OD2 no hydrogen 2.744 N/A THR 96.A N ASP 92.A O no hydrogen 3.069 N/A THR 96.A OG1 ASP 92.A O no hydrogen 3.168 N/A THR 97.A N ARG 93.A O no hydrogen 2.972 N/A ARG 98.A N THR 94.A O no hydrogen 3.159 N/A MET 99.A N LEU 95.A O no hydrogen 2.999 N/A SER 100.A N THR 96.A O no hydrogen 3.116 N/A SER 100.A OG THR 96.A O no hydrogen 3.399 N/A SER 100.A OG ASP 150.A OD2 no hydrogen 2.595 N/A GLU 101.A N THR 97.A O no hydrogen 3.124 N/A TRP 102.A N ARG 98.A O no hydrogen 3.191 N/A TRP 102.A NE1 THR 277.A OG1 no hydrogen 3.103 N/A VAL 103.A N MET 99.A O no hydrogen 2.941 N/A MET 104.A N SER 100.A O no hydrogen 2.894 N/A MET 105.A N GLU 101.A O no hydrogen 2.909 N/A GLN 106.A N TRP 102.A O no hydrogen 3.013 N/A GLN 106.A NE2 SER 253.A OG no hydrogen 2.675 N/A CYS 107.A N VAL 103.A O no hydrogen 2.955 N/A CYS 107.A SG VAL 103.A O no hydrogen 3.500 N/A LEU 108.A N MET 104.A O no hydrogen 2.905 N/A LEU 109.A N MET 105.A O no hydrogen 2.852 N/A HIS 110.A N GLN 106.A O no hydrogen 3.055 N/A HIS 110.A NE2 SER 253.A OG no hydrogen 2.798 N/A LEU 111.A N CYS 107.A O no hydrogen 2.850 N/A ARG 112.A N LEU 108.A O no hydrogen 2.827 N/A GLN 113.A N HIS 110.A O no hydrogen 3.275 N/A GLN 113.A NE2 SER 130.A O no hydrogen 2.983 N/A GLN 113.A NE2 GLN 131.A OE1 no hydrogen 2.911 N/A HIS 114.A N LEU 109.A O no hydrogen 3.019 N/A ARG 115.A NH1 PRO 272.A O no hydrogen 2.443 N/A ARG 115.A NH1 VAL 274.A O no hydrogen 2.990 N/A ARG 115.A NH2 VAL 274.A O no hydrogen 3.337 N/A TYR 117.A N GLN 113.A O no hydrogen 3.004 N/A GLU 118.A N HIS 114.A O no hydrogen 2.879 N/A ALA 119.A N ARG 115.A O no hydrogen 2.969 N/A LEU 120.A N ALA 116.A O no hydrogen 3.012 N/A ALA 121.A N TYR 117.A O no hydrogen 2.960 N/A LYS 122.A N GLU 118.A O no hydrogen 2.885 N/A LYS 123.A N ALA 119.A O no hydrogen 3.243 N/A LYS 123.A N LEU 120.A O no hydrogen 3.011 N/A HIS 124.A N ALA 121.A O no hydrogen 2.813 N/A GLU 125.A N LEU 120.A O no hydrogen 2.960 N/A ARG 127.A NH2 GLU 125.A OE2 no hydrogen 2.564 N/A LEU 129.A N TYR 117.A OH no hydrogen 3.001 N/A GLN 131.A NE2 LEU 111.A O no hydrogen 2.827 N/A GLN 131.A NE2 PRO 132.A O no hydrogen 2.869 N/A GLU 133.A N ASP 136.A OD2 no hydrogen 2.829 N/A ASP 136.A N GLU 133.A O no hydrogen 2.919 N/A VAL 137.A N ALA 134.A O no hydrogen 2.912 N/A THR 138.A N ASP 191.A OD2 no hydrogen 2.988 N/A VAL 139.A N LYS 161.A O no hydrogen 2.902 N/A GLY 140.A N PHE 192.A O no hydrogen 2.924 N/A ILE 141.A N ILE 163.A O no hydrogen 2.946 N/A MET 142.A N VAL 194.A O no hydrogen 2.891 N/A GLY 143.A N TRP 165.A O no hydrogen 2.770 N/A GLN 149.A N GLY 145.A O no hydrogen 2.940 N/A GLN 149.A NE2 MET 144.A O no hydrogen 3.015 N/A ASP 150.A N VAL 146.A O no hydrogen 3.358 N/A ALA 151.A N LEU 147.A O no hydrogen 2.964 N/A ALA 152.A N GLY 148.A O no hydrogen 2.955 N/A ARG 153.A N GLN 149.A O no hydrogen 3.110 N/A ARG 153.A NH2 GLN 149.A OE1 no hydrogen 3.020 N/A LYS 154.A N ASP 150.A O no hydrogen 3.044 N/A LYS 154.A NZ ASP 150.A OD2 no hydrogen 2.801 N/A LEU 155.A N ALA 151.A O no hydrogen 2.850 N/A ALA 156.A N ALA 152.A O no hydrogen 2.987 N/A ALA 157.A N ARG 153.A O no hydrogen 3.000 N/A MET 158.A N LYS 154.A O no hydrogen 3.104 N/A GLY 159.A N ALA 156.A O no hydrogen 2.964 N/A PHE 160.A N LEU 155.A O no hydrogen 3.099 N/A LYS 161.A N VAL 137.A O no hydrogen 3.125 N/A LYS 161.A NZ GLU 176.A OE2 no hydrogen 2.352 N/A ILE 163.A N VAL 139.A O no hydrogen 2.887 N/A GLY 164.A N GLU 176.A O no hydrogen 2.924 N/A TRP 165.A N ILE 141.A O no hydrogen 2.842 N/A TRP 165.A NE1 ALA 180.A O no hydrogen 3.163 N/A SER 166.A N TYR 178.A O no hydrogen 3.249 N/A SER 166.A OG SER 168.A O no hydrogen 2.793 N/A ARG 167.A NH1 TYR 316.A OH no hydrogen 2.765 N/A VAL 175.A N ILE 172.A O no hydrogen 3.033 N/A THR 177.A OG1 ARG 170.A O no hydrogen 2.601 N/A TYR 178.A N GLY 164.A O no hydrogen 2.833 N/A ALA 180.A N ARG 167.A O no hydrogen 2.978 N/A GLY 182.A N ASP 179.A O no hydrogen 2.884 N/A LEU 183.A N ALA 180.A O no hydrogen 3.167 N/A PHE 186.A N GLY 182.A O no hydrogen 2.984 N/A LEU 187.A N LEU 183.A O no hydrogen 2.793 N/A GLY 188.A N ASP 184.A O no hydrogen 3.079 N/A ARG 189.A N PHE 186.A O no hydrogen 3.149 N/A ARG 189.A NE TYR 178.A OH no hydrogen 3.065 N/A ARG 189.A NH1 GLU 176.A OE2 no hydrogen 3.408 N/A ARG 189.A NH2 GLU 176.A OE1 no hydrogen 2.547 N/A ARG 189.A NH2 TYR 178.A OH no hydrogen 3.082 N/A THR 190.A N LEU 187.A O no hydrogen 2.920 N/A THR 190.A OG1 PHE 186.A O no hydrogen 2.834 N/A ASP 191.A N THR 138.A O no hydrogen 2.939 N/A PHE 192.A N THR 138.A O no hydrogen 3.109 N/A LEU 193.A N VAL 225.A O no hydrogen 2.861 N/A VAL 194.A N GLY 140.A O no hydrogen 2.807 N/A GLY 195.A N ILE 227.A O no hydrogen 2.717 N/A LEU 196.A N MET 142.A O no hydrogen 2.866 N/A THR 200.A N THR 203.A OG1 no hydrogen 2.965 N/A ASP 202.A N THR 200.A OG1 no hydrogen 3.011 N/A THR 203.A N THR 200.A O no hydrogen 2.994 N/A THR 203.A N THR 200.A OG1 no hydrogen 3.233 N/A THR 203.A OG1 PRO 198.A O no hydrogen 2.696 N/A THR 203.A OG1 THR 200.A O no hydrogen 3.465 N/A THR 203.A OG1 SER 234.A OG no hydrogen 3.308 N/A GLY 205.A N GLY 233.A O no hydrogen 2.926 N/A ILE 206.A N THR 203.A O no hydrogen 3.420 N/A PHE 207.A N SER 234.A O no hydrogen 2.835 N/A ALA 209.A N ASP 239.A OD2 no hydrogen 2.930 N/A LEU 211.A N ASN 208.A OD1 no hydrogen 2.883 N/A PHE 212.A N ASN 208.A O no hydrogen 2.899 N/A ALA 213.A N ALA 209.A O no hydrogen 2.903 N/A LYS 214.A N LEU 211.A O no hydrogen 2.997 N/A LYS 214.A NZ ASP 184.A OD1 no hydrogen 3.334 N/A LEU 215.A N PHE 212.A O no hydrogen 3.266 N/A SER 216.A N THR 190.A O no hydrogen 2.925 N/A SER 216.A OG ASP 191.A OD1 no hydrogen 3.542 N/A ARG 217.A NH1 VAL 248.A O no hydrogen 3.177 N/A ASN 218.A N SER 216.A OG no hydrogen 2.951 N/A GLY 222.A N GLY 219.A O no hydrogen 3.044 N/A VAL 225.A N ASP 191.A O no hydrogen 2.919 N/A PHE 226.A N GLY 251.A O no hydrogen 3.232 N/A ILE 227.A N LEU 193.A O no hydrogen 2.857 N/A ASN 228.A N SER 253.A O no hydrogen 2.899 N/A ASN 228.A ND2 ARG 231.A O no hydrogen 3.251 N/A ASN 228.A ND2 GLN 235.A OE1 no hydrogen 2.794 N/A ALA 229.A N GLY 195.A O no hydrogen 3.066 N/A GLY 230.A N ASN 228.A OD1 no hydrogen 2.966 N/A ARG 231.A NE ASP 74.A OD1 no hydrogen 2.748 N/A ARG 231.A NH1 GLY 230.A O no hydrogen 3.075 N/A ARG 231.A NH2 ASP 74.A OD1 no hydrogen 3.524 N/A SER 234.A N ARG 231.A O no hydrogen 3.184 N/A SER 234.A OG THR 203.A O no hydrogen 3.003 N/A SER 234.A OG THR 203.A OG1 no hydrogen 3.308 N/A GLN 235.A N GLY 232.A O no hydrogen 3.036 N/A GLN 235.A NE2 GLU 237.A OE2 no hydrogen 2.829 N/A GLN 235.A NE2 VAL 256.A O no hydrogen 2.988 N/A VAL 236.A N PHE 207.A O no hydrogen 2.971 N/A GLU 237.A N GLU 258.A OE1 no hydrogen 2.855 N/A ASP 239.A N VAL 236.A O no hydrogen 3.046 N/A ILE 240.A N VAL 236.A O no hydrogen 3.094 N/A LEU 241.A N GLU 237.A O no hydrogen 2.892 N/A GLU 242.A N ALA 238.A O no hydrogen 3.089 N/A CYS 243.A N ASP 239.A O no hydrogen 2.867 N/A CYS 243.A SG ASP 239.A O no hydrogen 3.385 N/A CYS 243.A SG GLU 242.A OE2.A no hydrogen 3.556 N/A LEU 244.A N ILE 240.A O no hydrogen 2.891 N/A ASP 245.A N LEU 241.A O no hydrogen 2.923 N/A SER 246.A N GLU 242.A O no hydrogen 2.993 N/A SER 246.A OG GLU 242.A O no hydrogen 3.194 N/A SER 246.A OG CYS 243.A O no hydrogen 3.162 N/A GLY 247.A N LEU 244.A O no hydrogen 3.129 N/A VAL 248.A N SER 246.A OG no hydrogen 3.246 N/A LEU 249.A N CYS 243.A O no hydrogen 2.942 N/A GLY 250.A N PRO 224.A O no hydrogen 2.756 N/A ALA 252.A N ASN 273.A O no hydrogen 2.896 N/A SER 253.A N PHE 226.A O no hydrogen 2.903 N/A SER 253.A OG HIS 110.A NE2 no hydrogen 2.798 N/A LEU 254.A N TYR 275.A O no hydrogen 2.844 N/A ASP 255.A N ASN 228.A O no hydrogen 3.098 N/A PHE 257.A N GLU 260.A OE2 no hydrogen 2.979 N/A GLU 258.A N GLU 237.A OE2 no hydrogen 2.695 N/A GLU 265.A N SER 263.A OG no hydrogen 2.916 N/A SER 266.A N SER 263.A O no hydrogen 3.028 N/A ARG 267.A NH1 ASP 245.A OD2 no hydrogen 3.020 N/A ARG 267.A NH2 ASP 245.A OD1 no hydrogen 3.078 N/A ARG 267.A NH2 ASP 245.A OD2 no hydrogen 3.480 N/A PHE 268.A N SER 266.A OG no hydrogen 3.038 N/A TRP 269.A NE1 SER 263.A O no hydrogen 2.803 N/A ASP 270.A N ARG 267.A O no hydrogen 3.292 N/A MET 271.A N PHE 268.A O no hydrogen 3.437 N/A VAL 274.A N MET 271.A O no hydrogen 3.150 N/A TYR 275.A N ALA 252.A O no hydrogen 2.967 N/A THR 277.A N LEU 254.A O no hydrogen 3.046 N/A THR 277.A OG1 ASP 255.A OD1 no hydrogen 2.578 N/A HIS 279.A N THR 277.A O no hydrogen 3.012 N/A HIS 279.A ND1 GLU 260.A OE1 no hydrogen 2.724 N/A VAL 280.A N ASP 255.A OD1 no hydrogen 2.876 N/A ALA 281.A N ASP 255.A OD2 no hydrogen 2.863 N/A SER 284.A OG GLY 69.A O no hydrogen 2.647 N/A ALA 288.A N ASP 285.A OD1 no hydrogen 2.967 N/A LEU 289.A N ASP 285.A O no hydrogen 2.826 N/A PHE 290.A N VAL 286.A O no hydrogen 2.987 N/A VAL 291.A N ARG 287.A O no hydrogen 3.020 N/A HIS 292.A N ALA 288.A O no hydrogen 2.869 N/A VAL 293.A N LEU 289.A O no hydrogen 2.857 N/A GLU 294.A N PHE 290.A O no hydrogen 2.726 N/A HIS 295.A N VAL 291.A O no hydrogen 2.904 N/A GLN 296.A N HIS 292.A O no hydrogen 2.944 N/A GLN 296.A NE2 GLU 307.A OE1 no hydrogen 2.901 N/A ILE 297.A N VAL 293.A O no hydrogen 2.900 N/A ALA 298.A N GLU 294.A O no hydrogen 3.040 N/A ARG 299.A N HIS 295.A O no hydrogen 3.017 N/A ARG 299.A NE PRO 305.A O no hydrogen 3.188 N/A ARG 299.A NH2 PRO 305.A O no hydrogen 3.014 N/A PHE 300.A N GLN 296.A O no hydrogen 2.938 N/A GLU 301.A N ILE 297.A O no hydrogen 2.942 N/A SER 302.A N ALA 298.A O no hydrogen 3.025 N/A SER 302.A N ARG 299.A O no hydrogen 2.949 N/A SER 302.A OG ALA 298.A O no hydrogen 2.806 N/A GLY 303.A N PHE 300.A O no hydrogen 3.048 N/A LEU 304.A N ARG 299.A O no hydrogen 2.957 N/A GLU 307.A N GLN 296.A OE1 no hydrogen 2.905 N/A VAL 310.A N LEU 87.A O no hydrogen 2.826 N/A ASP 311.A N TYR 316.A O no hydrogen 2.896 N/A LYS 312.A NZ VAL 85.A O no hydrogen 2.698 N/A VAL 313.A N ASP 311.A OD1 no hydrogen 3.091 N/A ALA 314.A N ASP 311.A OD1 no hydrogen 3.153 N/A GLY 315.A N ASP 311.A O no hydrogen 2.836 N/A