Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4le8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N ASP 49.A OD1 no hydrogen 3.160 N/A ILE 4.A N THR 50.A O no hydrogen 2.870 N/A VAL 7.A N ASP 146.A OD2 no hydrogen 3.068 N/A ASN 9.A N GLY 37.A O no hydrogen 2.911 N/A SER 10.A N GLY 37.A O no hydrogen 3.370 N/A SER 10.A OG ASN 9.A OD1 no hydrogen 3.544 N/A SER 10.A OG ASN 12.A OD1 no hydrogen 2.695 N/A ASN 12.A N VAL 35.A O no hydrogen 2.766 N/A SER 13.A N VAL 35.A O no hydrogen 3.377 N/A THR 15.A N ASN 33.A O no hydrogen 3.244 N/A SER 17.A N THR 31.A O no hydrogen 2.663 N/A SER 17.A OG SER 17.A O no hydrogen 2.551 N/A ASN 18.A ND2 TYR 22.A O no hydrogen 3.088 N/A TYR 22.A N ASN 18.A OD1 no hydrogen 2.854 N/A LYS 25.A N GLU 158.A OE2 no hydrogen 2.916 N/A GLY 26.A N THR 29.A OG1 no hydrogen 3.070 N/A THR 29.A N GLY 26.A O no hydrogen 3.127 N/A THR 29.A OG1 GLY 26.A O no hydrogen 2.593 N/A THR 31.A N SER 17.A O no hydrogen 2.787 N/A THR 31.A OG1 THR 62.A OG1 no hydrogen 3.094 N/A TRP 32.A N LEU 116.A O no hydrogen 2.999 N/A TRP 32.A NE1 GLY 26.A O no hydrogen 3.018 N/A ASN 33.A N THR 15.A O no hydrogen 2.933 N/A ALA 34.A N LEU 114.A O no hydrogen 2.860 N/A VAL 35.A N SER 13.A O no hydrogen 2.971 N/A LEU 36.A N VAL 112.A O no hydrogen 2.949 N/A GLY 37.A N SER 10.A O no hydrogen 2.979 N/A TRP 38.A N GLY 110.A O no hydrogen 3.060 N/A SER 39.A N VAL 7.A O no hydrogen 3.085 N/A SER 39.A OG ALA 108.A O no hydrogen 3.059 N/A LEU 40.A N ALA 108.A O no hydrogen 2.881 N/A GLY 42.A N ILE 106.A O no hydrogen 2.730 N/A THR 43.A N ASP 41.A OD1 no hydrogen 3.250 N/A SER 44.A N ASP 41.A O no hydrogen 2.916 N/A ALA 45.A N ASP 41.A O no hydrogen 3.172 N/A GLY 48.A N VAL 98.A O no hydrogen 3.051 N/A ASP 49.A N SER 46.A O no hydrogen 3.055 N/A THR 50.A N LYS 2.A O no hydrogen 2.993 N/A PHE 51.A N CYS 96.A O no hydrogen 2.901 N/A LEU 53.A N LEU 94.A O no hydrogen 2.797 N/A ASN 54.A N ASN 145.A O no hydrogen 2.828 N/A MET 55.A N SER 92.A O no hydrogen 2.847 N/A CYS 57.A N THR 90.A O no hydrogen 3.020 N/A PHE 59.A N ALA 117.A O no hydrogen 2.811 N/A LYS 60.A N ALA 117.A O no hydrogen 3.400 N/A LYS 60.A NZ VAL 173.A O no hydrogen 3.128 N/A LYS 60.A NZ ARG 300.A O no hydrogen 3.022 N/A LYS 60.A NZ ARG 300.A OXT no hydrogen 2.608 N/A THR 62.A N PRO 115.A O no hydrogen 2.832 N/A THR 62.A OG1 THR 31.A OG1 no hydrogen 3.094 N/A THR 62.A OG1 PRO 115.A O no hydrogen 3.364 N/A THR 63.A OG1 GLN 65.A OE1 no hydrogen 2.440 N/A GLN 65.A N THR 63.A OG1 no hydrogen 3.145 N/A VAL 68.A N CYS 80.A O no hydrogen 2.901 N/A LEU 70.A N ALA 78.A O no hydrogen 2.895 N/A ALA 72.A N VAL 75.A O no hydrogen 2.896 N/A VAL 75.A N ALA 72.A O no hydrogen 3.346 N/A TYR 77.A N LEU 70.A O no hydrogen 2.796 N/A ALA 78.A N LEU 70.A O no hydrogen 3.320 N/A THR 79.A N THR 97.A O no hydrogen 3.024 N/A CYS 80.A N VAL 68.A O no hydrogen 2.868 N/A GLN 81.A N THR 95.A O no hydrogen 2.939 N/A PHE 82.A N THR 66.A O no hydrogen 2.856 N/A GLN 83.A N THR 93.A O no hydrogen 2.821 N/A GLY 85.A N SER 92.A OG no hydrogen 2.888 N/A GLU 86.A N PHE 59.A O no hydrogen 2.916 N/A PHE 88.A N GLY 85.A O no hydrogen 2.706 N/A MET 89.A N GLY 85.A O no hydrogen 2.990 N/A SER 92.A N MET 55.A O no hydrogen 2.952 N/A SER 92.A OG VAL 58.A O no hydrogen 2.512 N/A THR 93.A N GLN 83.A O no hydrogen 2.933 N/A LEU 94.A N LEU 53.A O no hydrogen 2.990 N/A THR 95.A N GLN 81.A O no hydrogen 3.005 N/A CYS 96.A N PHE 51.A O no hydrogen 2.825 N/A THR 97.A N THR 79.A O no hydrogen 2.737 N/A VAL 98.A N ASP 49.A O no hydrogen 2.874 N/A SER 99.A N TYR 77.A O no hydrogen 2.945 N/A THR 101.A OG1 LYS 76.A O no hydrogen 2.653 N/A LEU 102.A N SER 99.A O no hydrogen 3.245 N/A ILE 106.A N THR 103.A O no hydrogen 3.105 N/A ALA 108.A N LEU 40.A O no hydrogen 2.773 N/A GLY 110.A N TRP 38.A O no hydrogen 3.219 N/A VAL 112.A N LEU 36.A O no hydrogen 2.906 N/A LEU 114.A N ALA 34.A O no hydrogen 2.762 N/A LEU 116.A N TRP 32.A O no hydrogen 3.007 N/A ALA 117.A N LYS 60.A O no hydrogen 3.097 N/A PHE 118.A N PRO 27.A O no hydrogen 3.309 N/A ASN 119.A N CYS 57.A O no hydrogen 2.657 N/A ASN 119.A ND2 ASP 128.A OD1 no hydrogen 3.142 N/A GLY 121.A N ASN 119.A OD1 no hydrogen 3.000 N/A THR 123.A OG1 ASP 128.A OD2 no hydrogen 2.489 N/A GLY 124.A N ASP 261.A OD2 no hydrogen 2.877 N/A SER 125.A N THR 123.A OG1 no hydrogen 3.102 N/A SER 125.A OG GLU 87.A OE1 no hydrogen 2.708 N/A SER 125.A OG THR 123.A OG1 no hydrogen 3.175 N/A ASP 128.A N SER 125.A OG no hydrogen 3.130 N/A LEU 129.A N SER 125.A O no hydrogen 2.930 N/A GLU 130.A N SER 126.A O no hydrogen 3.059 N/A ASP 131.A N VAL 127.A O no hydrogen 2.930 N/A SER 132.A OG LEU 129.A O no hydrogen 2.673 N/A LYS 133.A N GLU 130.A O no hydrogen 3.200 N/A CYS 134.A N ASP 131.A O no hydrogen 2.965 N/A CYS 134.A SG ASN 119.A O no hydrogen 3.742 N/A CYS 134.A SG ASP 131.A OD1 no hydrogen 3.032 N/A THR 136.A N ASN 140.A OD1 no hydrogen 2.919 N/A THR 136.A OG1 ALA 137.A O no hydrogen 3.074 N/A ALA 137.A N ASP 224.A OD2 no hydrogen 3.104 N/A GLY 138.A N PHE 157.A O no hydrogen 2.714 N/A THR 139.A OG1 ASP 156.A OD1 no hydrogen 3.446 N/A ASN 140.A N VAL 155.A O no hydrogen 2.746 N/A ASN 140.A ND2 THR 136.A O no hydrogen 2.551 N/A ASN 140.A ND2 GLY 138.A O no hydrogen 3.016 N/A THR 141.A OG1 ASN 154.A OD1 no hydrogen 2.873 N/A VAL 142.A N ILE 153.A O no hydrogen 2.790 N/A THR 143.A OG1 SER 152.A OG no hydrogen 2.848 N/A PHE 144.A N ILE 151.A O no hydrogen 2.943 N/A ASN 145.A N ASN 54.A O no hydrogen 3.099 N/A ASP 146.A N LYS 149.A O no hydrogen 3.101 N/A LYS 149.A N ASP 146.A O no hydrogen 3.293 N/A ILE 151.A N PHE 144.A O no hydrogen 2.998 N/A SER 152.A OG THR 143.A OG1 no hydrogen 2.848 N/A ILE 153.A N VAL 142.A O no hydrogen 2.985 N/A VAL 155.A N ASN 140.A O no hydrogen 2.767 N/A PHE 157.A N GLY 138.A O no hydrogen 2.915 N/A GLU 158.A N LYS 25.A O no hydrogen 2.847 N/A SER 160.A N ASP 224.A O no hydrogen 3.289 N/A VAL 162.A N SER 160.A OG no hydrogen 3.071 N/A LYS 165.A N ASP 163.A OD1 no hydrogen 3.097 N/A GLY 166.A N ASP 163.A O no hydrogen 3.443 N/A LEU 168.A N VAL 185.A O no hydrogen 3.035 N/A SER 171.A OG.A SER 181.A O no hydrogen 3.187 N/A SER 171.A OG.A TYR 272.A OH no hydrogen 3.211 N/A SER 171.A OG.C ASP 170.A O no hydrogen 2.846 N/A SER 171.A OG.C THR 182.A OG1 no hydrogen 2.781 N/A ARG 172.A N SER 181.A O no hydrogen 3.121 N/A ARG 172.A NH1 ASN 119.A OD1 no hydrogen 2.840 N/A ARG 172.A NH2 ASP 128.A OD1 no hydrogen 3.034 N/A VAL 173.A N ARG 300.A O no hydrogen 3.037 N/A ILE 174.A N LYS 179.A O no hydrogen 2.690 N/A SER 176.A N GLU 86.A OE2 no hydrogen 3.043 N/A SER 176.A OG GLU 86.A OE1 no hydrogen 2.808 N/A SER 176.A OG GLU 86.A OE2 no hydrogen 3.105 N/A LEU 177.A N ILE 174.A O no hydrogen 3.280 N/A ASN 178.A N PRO 175.A O no hydrogen 3.237 N/A LYS 179.A N ILE 174.A O no hydrogen 3.298 N/A VAL 180.A N ILE 264.A O no hydrogen 3.023 N/A SER 181.A N ARG 172.A O no hydrogen 2.988 N/A SER 181.A OG ARG 172.A O no hydrogen 3.469 N/A THR 182.A N ALA 262.A O no hydrogen 2.872 N/A THR 182.A OG1 ASP 170.A O no hydrogen 3.079 N/A THR 182.A OG1 SER 171.A OG.C no hydrogen 2.781 N/A LEU 183.A N ASP 170.A O no hydrogen 2.990 N/A PHE 184.A N VAL 260.A O no hydrogen 2.981 N/A VAL 185.A N LEU 168.A O no hydrogen 2.972 N/A ALA 186.A N PRO 258.A O no hydrogen 3.100 N/A GLN 188.A N LYS 165.A O no hydrogen 2.872 N/A CYS 189.A N TYR 193.A OH no hydrogen 3.214 N/A GLY 192.A N CYS 189.A O no hydrogen 2.996 N/A TYR 193.A N VAL 252.A O no hydrogen 2.985 N/A TYR 193.A OH PRO 187.A O no hydrogen 2.730 N/A THR 194.A N THR 281.A O no hydrogen 2.858 N/A SER 195.A N THR 281.A O no hydrogen 3.273 N/A GLY 196.A N TYR 249.A O no hydrogen 3.351 N/A THR 197.A N GLU 279.A O no hydrogen 2.586 N/A THR 197.A OG1 THR 248.A OG1 no hydrogen 3.113 N/A MET 198.A N ILE 247.A O no hydrogen 2.915 N/A GLY 199.A N ALA 277.A O no hydrogen 3.361 N/A PHE 200.A N ILE 245.A O no hydrogen 3.028 N/A ALA 201.A N SER 275.A O no hydrogen 2.821 N/A ASN 202.A N ASN 243.A O no hydrogen 2.873 N/A TYR 204.A N ASN 202.A OD1 no hydrogen 3.193 N/A GLN 208.A N SER 265.A O no hydrogen 2.715 N/A ILE 209.A N SER 242.A O no hydrogen 2.841 N/A ASP 210.A N TYR 263.A O no hydrogen 3.125 N/A SER 212.A N ASP 210.A OD1 no hydrogen 3.179 N/A SER 212.A OG.A ASP 210.A OD1 no hydrogen 2.562 N/A SER 212.A OG.A ASP 210.A OD2 no hydrogen 3.541 N/A SER 212.A OG.B ASP 210.A OD1 no hydrogen 3.560 N/A ASN 213.A N ASP 210.A O no hydrogen 2.830 N/A ASN 213.A ND2 ASP 210.A OD2 no hydrogen 2.888 N/A HIS 215.A N ASP 261.A O no hydrogen 3.098 N/A HIS 215.A ND1 ASP 261.A OD1 no hydrogen 2.729 N/A GLY 217.A N PHE 259.A O no hydrogen 3.223 N/A ILE 218.A N GLU 232.A O no hydrogen 3.474 N/A THR 219.A N ARG 257.A O no hydrogen 2.850 N/A THR 219.A OG1 GLY 221.A O no hydrogen 2.728 N/A THR 219.A OG1 SER 230.A O no hydrogen 3.408 N/A LYS 220.A N SER 230.A OG no hydrogen 2.810 N/A GLY 221.A N GLY 255.A O no hydrogen 3.149 N/A ASN 223.A N TYR 227.A O no hydrogen 3.158 N/A ASN 223.A ND2 VAL 120.A O no hydrogen 2.895 N/A ASN 223.A ND2 SER 132.A O no hydrogen 3.099 N/A TRP 225.A N ASN 223.A OD1 no hydrogen 3.053 N/A TRP 225.A NE1 GLU 158.A O no hydrogen 2.922 N/A ASN 226.A N ASN 223.A O no hydrogen 2.984 N/A ASN 226.A ND2 VAL 162.A O no hydrogen 3.068 N/A TYR 227.A N ASN 223.A OD1 no hydrogen 3.062 N/A TYR 227.A OH ASP 170.A OD1 no hydrogen 3.235 N/A VAL 229.A N THR 219.A OG1 no hydrogen 3.094 N/A SER 230.A N THR 219.A OG1 no hydrogen 3.279 N/A SER 230.A OG GLU 232.A OE1 no hydrogen 2.876 N/A SER 230.A OG GLU 232.A OE2 no hydrogen 2.889 N/A GLU 232.A N ILE 218.A O no hydrogen 2.858 N/A THR 237.A N THR 248.A O no hydrogen 3.007 N/A THR 239.A N PHE 246.A O no hydrogen 2.848 N/A CYS 240.A SG SER 241.A O no hydrogen 3.958 N/A SER 241.A N GLY 244.A O no hydrogen 2.981 N/A ASN 243.A N SER 241.A OG no hydrogen 3.251 N/A GLY 244.A N SER 241.A O no hydrogen 3.196 N/A ILE 245.A N PHE 200.A O no hydrogen 3.088 N/A PHE 246.A N THR 239.A O no hydrogen 2.832 N/A ILE 247.A N MET 198.A O no hydrogen 2.888 N/A THR 248.A N THR 237.A O no hydrogen 3.159 N/A THR 248.A OG1 THR 197.A OG1 no hydrogen 3.113 N/A TYR 249.A N GLY 196.A O no hydrogen 3.014 N/A LYS 250.A N SER 235.A O no hydrogen 2.941 N/A ASN 251.A N THR 194.A O no hydrogen 3.174 N/A VAL 252.A N TYR 193.A O no hydrogen 3.068 N/A TYR 256.A N PRO 253.A O no hydrogen 3.153 N/A ARG 257.A N THR 219.A O no hydrogen 2.911 N/A ARG 257.A NE ALA 186.A O no hydrogen 3.072 N/A ARG 257.A NH1 PRO 164.A O no hydrogen 2.831 N/A ARG 257.A NH2 PRO 164.A O no hydrogen 2.959 N/A ARG 257.A NH2 ALA 186.A O no hydrogen 2.885 N/A PHE 259.A N GLY 217.A O no hydrogen 2.873 N/A VAL 260.A N PHE 184.A O no hydrogen 2.927 N/A ASP 261.A N HIS 215.A O no hydrogen 2.988 N/A ALA 262.A N THR 182.A O no hydrogen 3.032 N/A TYR 263.A N ASN 213.A O no hydrogen 3.267 N/A ILE 264.A N VAL 180.A O no hydrogen 2.511 N/A SER 265.A N GLN 208.A O no hydrogen 3.021 N/A THR 267.A N ASP 206.A O no hydrogen 2.960 N/A SER 271.A N ASP 268.A O no hydrogen 2.989 N/A TYR 272.A N TRP 296.A O no hydrogen 3.044 N/A LEU 274.A N LEU 294.A O no hydrogen 3.106 N/A SER 275.A N ALA 201.A O no hydrogen 2.765 N/A TYR 276.A N PHE 292.A O no hydrogen 2.686 N/A ALA 277.A N GLY 199.A O no hydrogen 2.993 N/A ASN 278.A ND2 ALA 290.A O no hydrogen 2.997 N/A GLU 279.A N THR 197.A O no hydrogen 3.069 N/A TYR 280.A N GLN 288.A O no hydrogen 3.096 N/A THR 281.A N SER 195.A O no hydrogen 2.739 N/A CYS 282.A N TYR 286.A O no hydrogen 2.919 N/A CYS 282.A SG TYR 286.A O no hydrogen 3.873 N/A ALA 283.A N GLY 192.A O no hydrogen 2.771 N/A GLY 285.A N CYS 282.A O no hydrogen 2.806 N/A GLN 288.A N TYR 280.A O no hydrogen 2.971 N/A ALA 290.A N ASN 278.A O no hydrogen 2.834 N/A PHE 292.A N TYR 276.A O no hydrogen 3.290 N/A LEU 294.A N LEU 274.A O no hydrogen 2.894 N/A ARG 295.A NE SER 271.A OG no hydrogen 3.214 N/A ARG 295.A NH1 SER 271.A OG no hydrogen 2.851 N/A TRP 296.A N TYR 272.A O no hydrogen 2.642 N/A TRP 296.A NE1 TYR 276.A OH no hydrogen 2.845 N/A ARG 300.A N SER 171.A O no hydrogen 3.019 N/A ARG 300.A NE ASP 170.A OD1 no hydrogen 2.752 N/A ARG 300.A NE ASP 170.A OD2 no hydrogen 3.410 N/A ARG 300.A NH1 GLY 121.A O no hydrogen 3.226 N/A ARG 300.A NH1 ASP 170.A OD2 no hydrogen 2.653 N/A ARG 300.A NH2 GLY 28.A O no hydrogen 3.259 N/A