Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wr2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N GLU 33.A O no hydrogen 2.796 N/A ALA 9.A N LEU 6.A O no hydrogen 2.985 N/A THR 10.A N ARG 34.A O no hydrogen 2.935 N/A ILE 12.A N ASN 36.A O no hydrogen 2.963 N/A ILE 13.A N THR 115.A O no hydrogen 3.078 N/A LEU 14.A N ALA 39.A O no hydrogen 3.081 N/A ASP 15.A N VAL 117.A O no hydrogen 3.056 N/A CYS 16.A N THR 41.A O no hydrogen 2.900 N/A CYS 16.A SG THR 41.A O no hydrogen 3.899 N/A ASP 17.A N ASP 22.A OD2 no hydrogen 3.149 N/A ALA 23.A N GLY 19.A O no hydrogen 3.211 N/A ILE 24.A N HIS 20.A O no hydrogen 3.140 N/A SER 25.A N ASP 21.A O no hydrogen 3.084 N/A LEU 26.A N ASP 22.A O no hydrogen 2.862 N/A ILE 27.A N ALA 23.A O no hydrogen 2.941 N/A LEU 28.A N ILE 24.A O no hydrogen 2.874 N/A ALA 29.A N SER 25.A O no hydrogen 2.871 N/A LEU 30.A N LEU 26.A O no hydrogen 2.931 N/A SER 31.A N LEU 28.A O no hydrogen 3.130 N/A SER 31.A OG LEU 28.A O no hydrogen 2.717 N/A SER 31.A OG CYS 295.A O no hydrogen 3.402 N/A SER 32.A N ALA 29.A O no hydrogen 3.446 N/A ARG 34.A N SER 32.A OG no hydrogen 2.981 N/A ARG 34.A NH1 LEU 239.A O no hydrogen 2.659 N/A ARG 34.A NH2 LEU 239.A O no hydrogen 3.441 N/A LEU 35.A N SER 32.A O no hydrogen 3.109 N/A ASN 36.A N THR 10.A O no hydrogen 2.819 N/A LEU 38.A N ILE 12.A O no hydrogen 2.807 N/A VAL 40.A N PRO 68.A O no hydrogen 2.855 N/A THR 41.A N LEU 14.A O no hydrogen 2.885 N/A THR 41.A OG1 ASP 15.A OD1 no hydrogen 2.703 N/A THR 42.A N ALA 70.A O no hydrogen 3.197 N/A SER 43.A N CYS 16.A O no hydrogen 2.832 N/A LYS 51.A N THR 48.A O no hydrogen 2.988 N/A LYS 51.A NZ THR 48.A OG1 no hydrogen 3.191 N/A THR 52.A N THR 48.A O no hydrogen 3.281 N/A THR 52.A OG1 SER 43.A O no hydrogen 2.926 N/A THR 52.A OG1 PRO 49.A O no hydrogen 3.289 N/A LEU 53.A N PRO 49.A O no hydrogen 3.084 N/A ASN 54.A N ASP 50.A O no hydrogen 2.997 N/A ASN 55.A N LYS 51.A O no hydrogen 2.861 N/A ASN 55.A ND2 PRO 18.A O no hydrogen 2.951 N/A ALA 56.A N THR 52.A O no hydrogen 2.925 N/A LEU 57.A N LEU 53.A O no hydrogen 3.061 N/A ARG 58.A N ASN 54.A O no hydrogen 2.898 N/A ARG 58.A NE ASN 54.A OD1 no hydrogen 3.085 N/A ARG 58.A NH1 LEU 88.A O no hydrogen 2.856 N/A ARG 58.A NH1 ASP 90.A OD1 no hydrogen 2.890 N/A ARG 58.A NH2 ASP 90.A OD1 no hydrogen 3.128 N/A ILE 59.A N ASN 55.A O no hydrogen 2.949 N/A LEU 60.A N ALA 56.A O no hydrogen 2.971 N/A THR 61.A N LEU 57.A O no hydrogen 2.918 N/A THR 61.A OG1 LEU 57.A O no hydrogen 2.771 N/A THR 61.A OG1 SER 92.A OG no hydrogen 3.370 N/A LEU 62.A N ARG 58.A O no hydrogen 2.948 N/A LEU 63.A N ILE 59.A O no hydrogen 3.138 N/A ASN 64.A N THR 61.A O no hydrogen 3.040 N/A ARG 65.A N LEU 60.A O no hydrogen 2.868 N/A ARG 65.A NE ASP 67.A OD1 no hydrogen 2.887 N/A ARG 65.A NH2 ASP 67.A OD2 no hydrogen 2.915 N/A ALA 70.A N VAL 40.A O no hydrogen 3.099 N/A GLY 72.A N THR 42.A O no hydrogen 2.911 N/A ALA 73.A N ASN 124.A OD1 no hydrogen 2.845 N/A LYS 75.A NZ PRO 76.A O no hydrogen 2.795 N/A LYS 75.A NZ ARG 79.A O no hydrogen 3.331 N/A LEU 77.A N ASP 164.A OD2 no hydrogen 2.951 N/A ARG 79.A NE GLU 166.A OE1 no hydrogen 2.791 N/A ARG 79.A NH1 GLN 261.A OE1 no hydrogen 2.805 N/A ARG 79.A NH2 GLU 166.A OE1 no hydrogen 3.495 N/A ARG 79.A NH2 GLU 166.A OE2 no hydrogen 2.935 N/A ARG 79.A NH2 GLN 261.A OE1 no hydrogen 2.885 N/A ILE 82.A N GLY 45.A O no hydrogen 3.165 N/A LYS 87.A NZ LEU 88.A O no hydrogen 3.009 N/A LYS 87.A NZ ASP 90.A OD1 no hydrogen 3.148 N/A SER 92.A N THR 61.A OG1 no hydrogen 3.008 N/A SER 92.A OG THR 61.A OG1 no hydrogen 3.370 N/A LEU 96.A N VAL 69.A O no hydrogen 2.869 N/A GLN 98.A NE2 GLU 105.A OE1 no hydrogen 2.972 N/A GLU 102.A N ASN 99.A OD1 no hydrogen 3.119 N/A LEU 103.A N ASN 99.A O no hydrogen 2.881 N/A GLU 105.A N GLU 102.A O no hydrogen 2.890 N/A LYS 106.A N LEU 103.A O no hydrogen 3.033 N/A ARG 108.A N ALA 104.A O no hydrogen 2.745 N/A GLN 109.A N GLU 105.A O no hydrogen 2.962 N/A SER 110.A N LYS 106.A O no hydrogen 3.019 N/A SER 110.A OG VAL 112.A O no hydrogen 2.576 N/A VAL 114.A N LYS 138.A O no hydrogen 2.892 N/A THR 115.A N PRO 11.A O no hydrogen 2.911 N/A LEU 116.A N ARG 141.A O no hydrogen 2.947 N/A VAL 117.A N ILE 13.A O no hydrogen 2.851 N/A SER 119.A N ASP 15.A O no hydrogen 2.803 N/A SER 119.A OG ASP 15.A O no hydrogen 3.541 N/A SER 119.A OG ASP 22.A OD2 no hydrogen 2.697 N/A THR 123.A OG1 ASP 164.A OD2 no hydrogen 2.668 N/A ASN 124.A ND2 ASP 15.A OD1 no hydrogen 2.834 N/A ASN 124.A ND2 THR 42.A O no hydrogen 3.107 N/A ALA 126.A N LEU 122.A O no hydrogen 2.927 N/A LEU 127.A N THR 123.A O no hydrogen 3.092 N/A PHE 128.A N ASN 124.A O no hydrogen 2.971 N/A ILE 129.A N ILE 125.A O no hydrogen 2.900 N/A ALA 130.A N ALA 126.A O no hydrogen 2.976 N/A ASN 131.A N LEU 127.A O no hydrogen 2.949 N/A TYR 132.A N PHE 128.A O no hydrogen 2.988 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.652 N/A LEU 135.A N TYR 132.A O no hydrogen 2.951 N/A HIS 136.A N PRO 133.A O no hydrogen 3.282 N/A HIS 136.A NE2 ILE 129.A O no hydrogen 2.756 N/A LYS 138.A N LEU 135.A O no hydrogen 2.846 N/A LYS 138.A NZ SER 110.A O no hydrogen 2.961 N/A VAL 139.A N HIS 136.A O no hydrogen 3.057 N/A GLU 140.A N VAL 114.A O no hydrogen 2.699 N/A ILE 142.A N PRO 176.A O no hydrogen 2.805 N/A VAL 143.A N LEU 116.A O no hydrogen 2.846 N/A LEU 144.A N THR 178.A O no hydrogen 2.952 N/A GLY 146.A N GLU 158.A OE1 no hydrogen 2.841 N/A ALA 147.A N THR 263.A OG1 no hydrogen 2.941 N/A ALA 148.A N ASP 182.A OD1 no hydrogen 2.792 N/A GLY 151.A N PRO 155.A O no hydrogen 2.889 N/A TRP 153.A N ALA 157.A O no hydrogen 3.081 N/A THR 154.A N ALA 157.A O no hydrogen 3.258 N/A ALA 157.A N THR 154.A O no hydrogen 3.261 N/A ALA 157.A N THR 154.A OG1 no hydrogen 3.007 N/A PHE 159.A N ASN 152.A OD1 no hydrogen 3.088 N/A ASN 160.A N GLU 158.A OE2 no hydrogen 2.832 N/A ASN 160.A ND2 SER 119.A O no hydrogen 3.199 N/A ILE 161.A N GLU 158.A OE1 no hydrogen 3.210 N/A PHE 162.A N GLU 158.A O no hydrogen 2.926 N/A VAL 163.A N PHE 159.A O no hydrogen 2.918 N/A ASP 164.A N ILE 161.A O no hydrogen 3.133 N/A GLU 166.A N GLU 166.A OE1 no hydrogen 2.956 N/A ALA 167.A N ASP 164.A OD1 no hydrogen 2.981 N/A ALA 168.A N ASP 164.A O no hydrogen 3.146 N/A ASP 169.A N PRO 165.A O no hydrogen 2.823 N/A PHE 171.A N ALA 168.A O no hydrogen 2.973 N/A LYS 172.A N ASP 169.A O no hydrogen 2.934 N/A LYS 172.A NZ ASP 169.A OD1 no hydrogen 3.347 N/A LYS 172.A NZ ASP 169.A OD2 no hydrogen 2.928 N/A SER 173.A N VAL 170.A O no hydrogen 3.065 N/A SER 173.A OG VAL 170.A O no hydrogen 2.730 N/A ILE 175.A N SER 173.A OG no hydrogen 3.165 N/A THR 178.A N ILE 142.A O no hydrogen 2.887 N/A CYS 179.A SG LEU 144.A O no hydrogen 3.673 N/A LEU 181.A N GLY 146.A O no hydrogen 2.920 N/A VAL 183.A N GLY 180.A O no hydrogen 3.135 N/A THR 184.A N GLY 180.A O no hydrogen 3.007 N/A THR 184.A OG1 GLY 180.A O no hydrogen 3.489 N/A THR 184.A OG1 HIS 230.A ND1 no hydrogen 2.929 N/A HIS 185.A N LEU 181.A O no hydrogen 2.944 N/A GLU 186.A N VAL 183.A O no hydrogen 2.972 N/A ALA 187.A N THR 184.A O no hydrogen 3.017 N/A GLN 188.A NE2 HIS 185.A O no hydrogen 2.810 N/A ILE 189.A N ALA 227.A O no hydrogen 2.863 N/A GLU 191.A N GLU 191.A OE1 no hydrogen 2.736 N/A GLU 194.A N ASP 190.A O no hydrogen 3.076 N/A ARG 195.A N GLU 191.A O no hydrogen 3.117 N/A ARG 195.A NH1 ASP 290.A OD1 no hydrogen 2.724 N/A ARG 195.A NH2 ASP 290.A OD1 no hydrogen 3.537 N/A ILE 196.A N ASP 192.A O no hydrogen 3.082 N/A ARG 197.A N ILE 193.A O no hydrogen 2.799 N/A ARG 197.A NE GLU 194.A OE1 no hydrogen 3.153 N/A ARG 197.A NH1 ASP 212.A OD2 no hydrogen 2.770 N/A ARG 197.A NH2 GLU 194.A OE2 no hydrogen 2.869 N/A ARG 197.A NH2 ASP 212.A OD1 no hydrogen 2.941 N/A ARG 197.A NH2 ASP 212.A OD2 no hydrogen 3.179 N/A ALA 198.A N GLU 194.A O no hydrogen 3.124 N/A ALA 198.A N ARG 195.A O no hydrogen 3.246 N/A ILE 199.A N ILE 196.A O no hydrogen 3.058 N/A ASN 201.A N ILE 199.A O no hydrogen 2.796 N/A ASN 201.A ND2 LEU 296.A O no hydrogen 2.989 N/A ASN 201.A ND2 ASN 300.A OD1 no hydrogen 2.804 N/A ALA 204.A N ASN 201.A OD1 no hydrogen 2.940 N/A GLN 205.A N ASN 201.A O no hydrogen 3.312 N/A GLN 205.A NE2 ARG 197.A O no hydrogen 2.769 N/A GLN 205.A NE2 ILE 199.A O no hydrogen 3.007 N/A GLN 205.A NE2 ASN 201.A O no hydrogen 3.554 N/A CYS 206.A N PRO 202.A O no hydrogen 3.015 N/A VAL 207.A N VAL 203.A O no hydrogen 3.002 N/A ALA 208.A N ALA 204.A O no hydrogen 2.889 N/A GLU 209.A N GLN 205.A O no hydrogen 3.013 N/A LEU 210.A N CYS 206.A O no hydrogen 2.991 N/A LEU 211.A N VAL 207.A O no hydrogen 2.915 N/A ASP 212.A N ALA 208.A O no hydrogen 2.889 N/A PHE 213.A N GLU 209.A O no hydrogen 3.151 N/A PHE 214.A N LEU 210.A O no hydrogen 2.946 N/A TYR 216.A N PHE 213.A O no hydrogen 3.035 N/A HIS 217.A N PHE 214.A O no hydrogen 2.848 N/A ARG 218.A NH1 THR 225.A O no hydrogen 2.825 N/A LYS 221.A N ASP 219.A OD1 no hydrogen 3.120 N/A TRP 222.A N ASP 219.A O no hydrogen 3.086 N/A GLY 223.A N PRO 220.A O no hydrogen 3.011 N/A THR 225.A N GLN 188.A OE1 no hydrogen 2.902 N/A GLY 226.A N GLN 188.A OE1 no hydrogen 2.977 N/A ALA 227.A N ILE 189.A O no hydrogen 3.224 N/A LEU 229.A N ALA 187.A O no hydrogen 2.872 N/A HIS 230.A N ASP 21.A OD1 no hydrogen 2.818 N/A HIS 230.A ND1 THR 184.A OG1 no hydrogen 2.929 N/A CYS 233.A N HIS 230.A O no hydrogen 2.943 N/A CYS 233.A SG LEU 229.A O no hydrogen 3.665 N/A THR 234.A N ASP 231.A O no hydrogen 2.940 N/A THR 234.A OG1 ASP 231.A O no hydrogen 2.745 N/A ALA 236.A N PRO 232.A O no hydrogen 3.015 N/A TRP 237.A N CYS 233.A O no hydrogen 2.962 N/A LEU 238.A N THR 234.A O no hydrogen 3.127 N/A LEU 239.A N ILE 235.A O no hydrogen 3.000 N/A LYS 240.A N ALA 236.A O no hydrogen 2.777 N/A GLU 242.A N GLU 242.A OE1 no hydrogen 2.713 N/A LEU 243.A N LYS 240.A O no hydrogen 3.028 N/A PHE 244.A N PRO 241.A O no hydrogen 3.040 N/A THR 245.A N ASP 282.A O no hydrogen 2.862 N/A GLN 247.A N VAL 279.A O no hydrogen 2.961 N/A GLN 247.A NE2 ARG 267.A O no hydrogen 2.797 N/A CYS 249.A N ALA 277.A O no hydrogen 2.867 N/A CYS 249.A SG GLN 247.A O no hydrogen 3.652 N/A VAL 251.A N ASN 276.A OD1 no hydrogen 2.772 N/A GLY 252.A N VAL 264.A O no hydrogen 2.993 N/A LYS 256.A N GLU 254.A OE2 no hydrogen 2.971 N/A GLN 261.A NE2 GLY 257.A O no hydrogen 2.820 N/A GLY 262.A N GLU 254.A O no hydrogen 2.873 N/A THR 263.A OG1 ALA 147.A O no hydrogen 2.875 N/A VAL 264.A N GLY 252.A O no hydrogen 2.708 N/A ASP 266.A N TRP 250.A O no hydrogen 2.907 N/A GLN 269.A N ASP 266.A O no hydrogen 3.201 N/A LEU 270.A N ASP 266.A OD1 no hydrogen 2.756 N/A THR 271.A N ASP 266.A OD2 no hydrogen 2.988 N/A THR 271.A OG1 ASP 266.A OD2 no hydrogen 2.720 N/A LYS 273.A N THR 271.A OG1 no hydrogen 3.038 N/A ASN 276.A N CYS 249.A O no hydrogen 2.971 N/A ASN 276.A ND2 PHE 171.A O no hydrogen 2.957 N/A ASN 276.A ND2 VAL 251.A O no hydrogen 2.947 N/A ALA 277.A N CYS 249.A O no hydrogen 3.098 N/A THR 278.A N ILE 177.A O no hydrogen 2.799 N/A THR 278.A OG1 GLU 248.A OE1 no hydrogen 3.255 N/A THR 278.A OG1 GLU 248.A OE2 no hydrogen 2.479 N/A VAL 279.A N GLN 247.A O no hydrogen 2.896 N/A PHE 281.A N THR 245.A O no hydrogen 2.874 N/A LEU 283.A N ASP 282.A OD1 no hydrogen 2.786 N/A ASP 284.A N LEU 243.A O no hydrogen 2.805 N/A ARG 285.A NH1 GLN 188.A O no hydrogen 2.934 N/A ARG 285.A NH1 ASP 192.A OD2 no hydrogen 2.859 N/A GLN 286.A NE2 ASP 290.A OD1 no hydrogen 3.021 N/A GLY 287.A N ASP 284.A OD1 no hydrogen 3.053 N/A PHE 288.A N ASP 284.A O no hydrogen 2.962 N/A VAL 289.A N ARG 285.A O no hydrogen 2.992 N/A ASP 290.A N GLN 286.A O no hydrogen 2.862 N/A LEU 291.A N GLY 287.A O no hydrogen 2.901 N/A ILE 292.A N PHE 288.A O no hydrogen 3.034 N/A VAL 293.A N VAL 289.A O no hydrogen 2.976 N/A ASP 294.A N ASP 290.A O no hydrogen 2.954 N/A CYS 295.A N LEU 291.A O no hydrogen 2.808 N/A CYS 295.A SG LEU 291.A O no hydrogen 3.246 N/A LEU 296.A N ILE 292.A O no hydrogen 2.953 N/A SER 297.A N VAL 293.A O no hydrogen 3.254 N/A SER 297.A OG VAL 293.A O no hydrogen 2.953 N/A ALA 298.A N CYS 295.A O no hydrogen 3.001 N/A TYR 299.A N LEU 296.A O no hydrogen 3.150 N/A TYR 299.A OH ILE 27.A O no hydrogen 2.642 N/A ASN 300.A N SER 297.A O no hydrogen 3.003 N/A