Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4erg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N ASP 71.A OD2 no hydrogen 2.958 N/A ARG 3.A NE GLY 69.A O no hydrogen 2.991 N/A ARG 3.A NH2 GLY 69.A O no hydrogen 3.551 N/A ILE 4.A N ILE 320.A O no hydrogen 2.819 N/A ASP 5.A N VAL 72.A O no hydrogen 3.188 N/A MET 6.A N LEU 289.A O no hydrogen 2.829 N/A HIS 7.A ND1 ASP 266.A OD2 no hydrogen 3.155 N/A HIS 7.A NE2 HIS 9.A NE2 no hydrogen 2.916 N/A HIS 7.A NE2 HIS 175.A NE2 no hydrogen 3.121 N/A SER 8.A OG VAL 74.A O no hydrogen 3.071 N/A HIS 9.A N TYR 293.A O no hydrogen 2.881 N/A HIS 9.A ND1 ALA 77.A O no hydrogen 3.080 N/A HIS 9.A NE2 HIS 7.A NE2 no hydrogen 2.916 N/A PHE 10.A N CYS 76.A O no hydrogen 2.854 N/A PHE 11.A N LEU 55.A O no hydrogen 3.247 N/A ILE 14.A N PRO 12.A O no hydrogen 3.142 N/A SER 15.A OG GLU 18.A OE1 no hydrogen 2.854 N/A GLU 18.A N SER 15.A OG no hydrogen 3.359 N/A ALA 19.A N SER 15.A O no hydrogen 3.032 N/A ALA 20.A N GLU 16.A O no hydrogen 3.017 N/A LYS 21.A N GLU 18.A O no hydrogen 2.870 N/A PHE 22.A N ALA 19.A O no hydrogen 3.049 N/A ASP 23.A N ALA 19.A O no hydrogen 3.051 N/A ASN 25.A N ASP 23.A OD1 no hydrogen 3.103 N/A TRP 29.A N MET 42.A O no hydrogen 3.087 N/A TRP 29.A NE1 GLY 44.A O no hydrogen 2.782 N/A LEU 30.A N ILE 14.A O no hydrogen 2.928 N/A GLN 31.A N SER 40.A O no hydrogen 3.078 N/A SER 33.A N THR 38.A O no hydrogen 3.143 N/A SER 33.A OG THR 38.A O no hydrogen 2.616 N/A LYS 35.A NZ SER 33.A OG no hydrogen 3.286 N/A LYS 35.A NZ ASP 37.A OD1 no hydrogen 2.773 N/A GLY 36.A N SER 33.A OG no hydrogen 3.257 N/A THR 38.A OG1 ASP 37.A OD1 no hydrogen 3.447 N/A GLY 39.A N VAL 51.A O no hydrogen 2.961 N/A SER 40.A N GLN 31.A O no hydrogen 2.908 N/A SER 40.A OG ASN 47.A OD1 no hydrogen 2.616 N/A SER 40.A OG ARG 49.A O no hydrogen 2.775 N/A ILE 41.A N ARG 49.A O no hydrogen 2.765 N/A MET 42.A N TRP 29.A O no hydrogen 2.877 N/A MET 43.A N ASN 46.A O no hydrogen 2.961 N/A LYS 45.A NZ GLU 16.A OE2 no hydrogen 2.966 N/A ASN 46.A ND2 ASN 47.A O no hydrogen 3.541 N/A PHE 48.A N ILE 41.A O no hydrogen 2.872 N/A ARG 49.A N ILE 41.A O no hydrogen 3.208 N/A VAL 51.A N GLY 39.A O no hydrogen 2.694 N/A TYR 52.A OH GLU 64.A OE2 no hydrogen 2.960 N/A GLN 53.A N ASP 37.A O no hydrogen 2.909 N/A LEU 55.A N TYR 52.A O no hydrogen 3.165 N/A TRP 56.A N GLN 53.A O no hydrogen 3.173 N/A ASP 57.A N GLN 53.A O no hydrogen 2.950 N/A PHE 60.A N ASP 57.A OD1 no hydrogen 2.996 N/A ARG 61.A N ASP 57.A O no hydrogen 3.100 N/A ARG 61.A NE ALA 54.A O no hydrogen 2.961 N/A ARG 61.A NH1 HIS 9.A O no hydrogen 3.530 N/A ARG 61.A NH1 GLN 73.A OE1 no hydrogen 2.676 N/A ARG 61.A NH2 HIS 9.A O no hydrogen 2.677 N/A ARG 61.A NH2 LEU 55.A O no hydrogen 3.402 N/A ILE 62.A N PRO 58.A O no hydrogen 3.057 N/A ILE 62.A N ALA 59.A O no hydrogen 3.147 N/A GLU 63.A N PHE 60.A O no hydrogen 3.246 N/A GLU 64.A N PHE 60.A O no hydrogen 3.511 N/A MET 65.A N ARG 61.A O no hydrogen 2.982 N/A ASP 66.A N ILE 62.A O no hydrogen 2.972 N/A ALA 67.A N GLU 63.A O no hydrogen 2.854 N/A GLN 68.A N GLU 64.A O no hydrogen 3.066 N/A GLN 68.A NE2 GLN 300.A O no hydrogen 2.556 N/A GLY 69.A N ASP 66.A O no hydrogen 2.870 N/A VAL 70.A N MET 65.A O no hydrogen 2.763 N/A ASP 71.A N ARG 3.A O no hydrogen 3.195 N/A VAL 72.A N ARG 3.A O no hydrogen 3.320 N/A GLN 73.A N ARG 112.A O no hydrogen 2.772 N/A GLN 73.A NE2 ASP 5.A OD2 no hydrogen 3.420 N/A VAL 74.A N ASP 5.A O no hydrogen 2.806 N/A THR 75.A N LYS 114.A O no hydrogen 2.851 N/A CYS 76.A N SER 8.A O no hydrogen 2.683 N/A CYS 76.A SG SER 8.A O no hydrogen 3.503 N/A CYS 76.A SG HIS 9.A ND1 no hydrogen 4.032 N/A THR 78.A OG1 PHE 10.A O no hydrogen 2.642 N/A MET 81.A N THR 78.A O no hydrogen 2.463 N/A PHE 82.A N PRO 79.A O no hydrogen 3.513 N/A ASN 89.A N GLU 87.A OE1 no hydrogen 2.719 N/A LYS 90.A N GLU 87.A OE2 no hydrogen 3.154 N/A LYS 90.A NZ LYS 21.A O no hydrogen 3.457 N/A ALA 91.A N GLU 87.A O no hydrogen 2.939 N/A ALA 92.A N ALA 88.A O no hydrogen 2.737 N/A GLN 93.A N ASN 89.A O no hydrogen 3.016 N/A TRP 94.A N LYS 90.A O no hydrogen 3.124 N/A TRP 94.A NE1 MET 81.A O no hydrogen 2.687 N/A ALA 95.A N ALA 91.A O no hydrogen 3.118 N/A GLU 96.A N ALA 92.A O no hydrogen 3.303 N/A ARG 97.A N GLN 93.A O no hydrogen 3.249 N/A MET 98.A N TRP 94.A O no hydrogen 2.968 N/A ASN 99.A N ALA 95.A O no hydrogen 3.036 N/A ASN 99.A ND2 GLN 118.A O no hydrogen 2.898 N/A ASN 99.A ND2 GLU 130.A OE2 no hydrogen 3.216 N/A ASP 100.A N GLU 96.A O no hydrogen 3.264 N/A PHE 101.A N ARG 97.A O no hydrogen 2.819 N/A ALA 102.A N MET 98.A O no hydrogen 2.937 N/A LEU 103.A N ASN 99.A O no hydrogen 3.240 N/A GLU 104.A N ASP 100.A O no hydrogen 2.888 N/A PHE 105.A N PHE 101.A O no hydrogen 2.989 N/A ALA 106.A N ALA 102.A O no hydrogen 3.114 N/A ALA 107.A N LEU 103.A O no hydrogen 2.821 N/A ASN 109.A N ALA 106.A O no hydrogen 3.020 N/A GLN 111.A N ASN 109.A OD1 no hydrogen 3.092 N/A ARG 112.A N ASN 109.A O no hydrogen 3.083 N/A ARG 112.A NE ASP 71.A O no hydrogen 2.787 N/A ARG 112.A NH1 ASP 66.A OD1 no hydrogen 3.275 N/A ARG 112.A NH2 ASP 66.A OD1 no hydrogen 3.370 N/A ARG 112.A NH2 VAL 70.A O no hydrogen 2.618 N/A ARG 112.A NH2 ASP 71.A O no hydrogen 3.563 N/A ILE 113.A N ASN 109.A O no hydrogen 3.006 N/A LYS 114.A N GLN 73.A O no hydrogen 2.887 N/A LYS 114.A NZ PRO 110.A O no hydrogen 3.019 N/A LEU 116.A N THR 75.A O no hydrogen 3.058 N/A ALA 117.A N GLY 141.A O no hydrogen 2.847 N/A GLN 118.A N ASN 99.A OD1 no hydrogen 2.825 N/A GLN 122.A N GLN 122.A OE1 no hydrogen 2.688 N/A GLN 122.A NE2 GLY 83.A O no hydrogen 3.366 N/A GLN 122.A NE2 TRP 86.A O no hydrogen 2.982 N/A ASP 123.A N PRO 120.A O no hydrogen 3.239 N/A LEU 126.A N ASP 123.A OD2 no hydrogen 3.241 N/A ALA 127.A N ASP 123.A O no hydrogen 3.022 N/A CYS 128.A N LEU 124.A O no hydrogen 2.982 N/A CYS 128.A SG LEU 124.A O no hydrogen 3.261 N/A LYS 129.A N ASP 125.A O no hydrogen 3.058 N/A GLU 130.A N LEU 126.A O no hydrogen 2.945 N/A ALA 131.A N ALA 127.A O no hydrogen 2.912 N/A SER 132.A N CYS 128.A O no hydrogen 3.292 N/A SER 132.A N LYS 129.A O no hydrogen 3.179 N/A SER 132.A OG CYS 128.A O no hydrogen 3.336 N/A SER 132.A OG GLU 168.A OE1 no hydrogen 2.853 N/A ARG 133.A N LYS 129.A O no hydrogen 2.958 N/A ALA 134.A N GLU 130.A O no hydrogen 2.875 N/A VAL 135.A N ALA 131.A O no hydrogen 3.474 N/A ALA 136.A N SER 132.A O no hydrogen 3.070 N/A ALA 137.A N ARG 133.A O no hydrogen 2.805 N/A GLY 138.A N ALA 134.A O no hydrogen 3.029 N/A GLY 138.A N VAL 135.A O no hydrogen 3.206 N/A HIS 139.A N ALA 134.A O no hydrogen 2.924 N/A HIS 139.A NE2 ASN 99.A O no hydrogen 2.790 N/A LEU 140.A N VAL 115.A O no hydrogen 2.900 N/A ILE 142.A N PRO 171.A O no hydrogen 2.791 N/A GLN 143.A N ALA 117.A O no hydrogen 2.823 N/A GLN 143.A NE2 ALA 77.A O no hydrogen 3.509 N/A ILE 144.A N LEU 173.A O no hydrogen 3.199 N/A GLY 145.A N TYR 84.A OH no hydrogen 3.031 N/A ASN 146.A ND2 GLU 199.A OE1 no hydrogen 2.696 N/A HIS 147.A ND1 GLY 149.A O no hydrogen 2.806 N/A HIS 147.A NE2 TRP 177.A O no hydrogen 2.804 N/A HIS 147.A NE2 ASP 178.A O no hydrogen 2.830 N/A LEU 148.A N LYS 151.A O no hydrogen 2.865 N/A LYS 151.A N LEU 148.A O no hydrogen 2.944 N/A ASP 155.A N ASP 152.A O no hydrogen 2.830 N/A THR 157.A N ASP 155.A OD2 no hydrogen 2.944 N/A THR 157.A OG1 ASP 155.A OD2 no hydrogen 2.831 N/A GLU 159.A N ASP 155.A O no hydrogen 2.984 N/A ALA 160.A N ALA 156.A O no hydrogen 2.858 N/A PHE 161.A N THR 157.A O no hydrogen 2.976 N/A LEU 162.A N LEU 158.A O no hydrogen 3.024 N/A THR 163.A N GLU 159.A O no hydrogen 2.688 N/A THR 163.A OG1 GLU 159.A O no hydrogen 2.793 N/A HIS 164.A N ALA 160.A O no hydrogen 3.052 N/A CYS 165.A N PHE 161.A O no hydrogen 3.160 N/A CYS 165.A SG PHE 161.A O no hydrogen 3.501 N/A ALA 166.A N LEU 162.A O no hydrogen 2.906 N/A ASN 167.A N THR 163.A O no hydrogen 3.121 N/A ASN 167.A N HIS 164.A O no hydrogen 3.015 N/A GLU 168.A N HIS 164.A O no hydrogen 3.104 N/A GLU 168.A N CYS 165.A O no hydrogen 3.262 N/A ASP 169.A N ALA 166.A O no hydrogen 3.255 N/A ILE 170.A N CYS 165.A O no hydrogen 2.803 N/A ILE 172.A N LYS 221.A O no hydrogen 2.755 N/A LEU 173.A N ILE 142.A O no hydrogen 2.851 N/A VAL 174.A N CYS 223.A O no hydrogen 2.546 N/A HIS 175.A N ILE 144.A O no hydrogen 2.964 N/A HIS 175.A ND1 PRO 176.A O no hydrogen 2.828 N/A TRP 177.A N ASN 146.A OD1 no hydrogen 3.077 N/A TRP 177.A NE1 HIS 147.A O no hydrogen 3.142 N/A MET 180.A N GLU 199.A OE2 no hydrogen 2.799 N/A LEU 190.A N LYS 187.A O no hydrogen 3.362 N/A TRP 192.A N MET 189.A O no hydrogen 2.912 N/A LEU 193.A N LEU 190.A O no hydrogen 3.033 N/A VAL 194.A N LEU 190.A O no hydrogen 2.750 N/A MET 196.A N PRO 191.A O no hydrogen 3.009 N/A GLU 199.A N ALA 195.A O no hydrogen 2.528 N/A THR 200.A N MET 196.A O no hydrogen 3.140 N/A THR 200.A N PRO 197.A O no hydrogen 3.164 N/A THR 200.A OG1 MET 196.A O no hydrogen 2.791 N/A GLN 201.A N PRO 197.A O no hydrogen 2.990 N/A LEU 202.A N ALA 198.A O no hydrogen 2.938 N/A ALA 203.A N GLU 199.A O no hydrogen 2.982 N/A ILE 204.A N THR 200.A O no hydrogen 3.097 N/A LEU 205.A N GLN 201.A O no hydrogen 2.905 N/A SER 206.A N LEU 202.A O no hydrogen 2.856 N/A SER 206.A OG LEU 202.A O no hydrogen 2.619 N/A ILE 208.A N ILE 204.A O no hydrogen 3.187 N/A LEU 209.A N LEU 205.A O no hydrogen 2.928 N/A SER 210.A OG SER 206.A O no hydrogen 2.531 N/A SER 210.A OG LEU 207.A O no hydrogen 3.479 N/A GLY 211.A N ILE 208.A O no hydrogen 3.276 N/A ALA 212.A N LEU 207.A O no hydrogen 3.014 N/A ALA 212.A N SER 210.A OG no hydrogen 3.317 N/A GLU 214.A N GLY 211.A O no hydrogen 3.289 N/A ARG 215.A NE GLU 159.A OE1 no hydrogen 3.023 N/A ARG 215.A NE GLU 159.A OE2 no hydrogen 3.175 N/A ARG 215.A NH1 SER 210.A O no hydrogen 3.327 N/A ARG 215.A NH2 GLU 159.A OE2 no hydrogen 3.104 N/A ARG 215.A NH2 SER 210.A O no hydrogen 2.743 N/A ILE 216.A N ALA 212.A O no hydrogen 2.860 N/A SER 219.A OG ALA 166.A O no hydrogen 3.420 N/A LEU 220.A N PRO 217.A O no hydrogen 3.195 N/A CYS 223.A N ILE 172.A O no hydrogen 2.489 N/A CYS 223.A SG PHE 224.A O no hydrogen 3.815 N/A PHE 224.A N PHE 264.A O no hydrogen 2.972 N/A GLY 225.A N VAL 174.A O no hydrogen 3.152 N/A TYR 226.A N ASP 266.A OD2 no hydrogen 2.951 N/A TYR 226.A OH HIS 175.A NE2 no hydrogen 2.870 N/A TYR 226.A OH ASP 292.A OD1 no hydrogen 2.934 N/A TYR 226.A OH ASP 292.A OD2 no hydrogen 3.239 N/A GLY 227.A N ASP 266.A OD1 no hydrogen 2.715 N/A GLY 228.A N GLY 225.A O no hydrogen 3.013 N/A GLY 229.A N TYR 226.A O no hydrogen 3.071 N/A PHE 231.A N GLY 228.A O no hydrogen 3.262 N/A LEU 234.A N SER 230.A O no hydrogen 3.265 N/A LEU 234.A N PHE 231.A O no hydrogen 2.849 N/A ARG 237.A N LEU 234.A O no hydrogen 2.972 N/A VAL 238.A N LEU 234.A O no hydrogen 3.265 N/A VAL 238.A N LEU 235.A O no hydrogen 2.966 N/A ASP 239.A N LEU 235.A O no hydrogen 2.993 N/A ASN 240.A N GLY 236.A O no hydrogen 3.031 N/A ALA 241.A N ARG 237.A O no hydrogen 2.917 N/A TRP 242.A N VAL 238.A O no hydrogen 2.781 N/A TRP 242.A NE1 CYS 252.A O no hydrogen 3.030 N/A ARG 243.A N ASP 239.A O no hydrogen 2.975 N/A HIS 244.A N ASN 240.A O no hydrogen 3.079 N/A HIS 244.A N ALA 241.A O no hydrogen 3.237 N/A HIS 244.A ND1 ASN 240.A O no hydrogen 3.044 N/A ARG 245.A N ALA 241.A O no hydrogen 2.932 N/A VAL 248.A N ARG 245.A O no hydrogen 3.363 N/A ARG 249.A N ASP 246.A O no hydrogen 2.897 N/A ARG 249.A NH1 ARG 243.A O no hydrogen 3.311 N/A GLU 250.A N ASP 246.A O no hydrogen 2.831 N/A CYS 252.A N ARG 249.A O no hydrogen 2.904 N/A CYS 252.A SG ILE 208.A O no hydrogen 3.321 N/A CYS 252.A SG ARG 254.A O no hydrogen 3.353 N/A ARG 254.A N TYR 259.A OH no hydrogen 3.233 N/A SER 257.A N ASP 239.A OD1 no hydrogen 3.125 N/A SER 257.A OG ASP 239.A OD1 no hydrogen 3.352 N/A SER 257.A OG ASP 239.A OD2 no hydrogen 2.886 N/A GLU 258.A N PRO 255.A O no hydrogen 2.843 N/A TYR 259.A N PRO 256.A O no hydrogen 3.203 N/A TYR 259.A OH GLU 214.A OE2 no hydrogen 3.297 N/A VAL 260.A N SER 257.A O no hydrogen 3.411 N/A ARG 262.A N TYR 259.A O no hydrogen 2.979 N/A ARG 262.A NH1 PHE 213.A O no hydrogen 2.606 N/A ARG 262.A NH2 PHE 213.A O no hydrogen 3.382 N/A ARG 262.A NH2 ILE 216.A O no hydrogen 3.212 N/A PHE 264.A N ILE 222.A O no hydrogen 2.738 N/A VAL 265.A N ARG 286.A O no hydrogen 3.001 N/A ASP 266.A N PHE 224.A O no hydrogen 3.259 N/A ALA 268.A N ASP 266.A OD1 no hydrogen 3.249 N/A LEU 275.A N ASN 271.A O no hydrogen 3.190 N/A GLU 276.A N PRO 272.A O no hydrogen 3.168 N/A LEU 277.A N GLY 273.A O no hydrogen 3.095 N/A LEU 278.A N ALA 274.A O no hydrogen 2.873 N/A VAL 279.A N LEU 275.A O no hydrogen 3.024 N/A SER 280.A N GLU 276.A O no hydrogen 3.192 N/A VAL 281.A N LEU 277.A O no hydrogen 3.085 N/A VAL 281.A N LEU 278.A O no hydrogen 3.161 N/A MET 282.A N LEU 278.A O no hydrogen 2.762 N/A GLY 283.A N VAL 279.A O no hydrogen 2.952 N/A ARG 286.A N GLY 283.A O no hydrogen 3.299 N/A ARG 286.A NH1 PHE 263.A O no hydrogen 3.391 N/A MET 288.A N VAL 265.A O no hydrogen 3.039 N/A SER 291.A OG ASP 5.A OD1 no hydrogen 3.253 N/A SER 291.A OG ASP 5.A OD2 no hydrogen 2.709 N/A ASP 292.A N HIS 7.A O no hydrogen 2.818 N/A TYR 293.A OH GLU 64.A OE2 no hydrogen 2.500 N/A PHE 295.A N ASP 292.A O no hydrogen 3.243 N/A GLY 298.A N PHE 295.A O no hydrogen 2.904 N/A GLU 299.A N SER 291.A O no hydrogen 2.937 N/A GLY 303.A N GLU 299.A OE2 no hydrogen 2.970 N/A GLY 304.A N LYS 301.A O no hydrogen 2.899 N/A LEU 305.A N GLU 299.A OE1 no hydrogen 2.810 N/A VAL 306.A N GLY 303.A O no hydrogen 2.898 N/A LEU 307.A N GLY 303.A O no hydrogen 2.745 N/A SER 308.A N GLY 304.A O no hydrogen 3.270 N/A SER 308.A OG GLY 304.A O no hydrogen 3.037 N/A SER 309.A N VAL 306.A O no hydrogen 3.010 N/A SER 309.A OG VAL 306.A O no hydrogen 2.631 N/A LYS 316.A N GLY 312.A O no hydrogen 2.986 N/A LYS 316.A NZ SER 309.A O no hydrogen 3.034 N/A LYS 318.A N SER 314.A O no hydrogen 2.977 N/A LYS 318.A NZ GLU 284.A OE2 no hydrogen 2.978 N/A LYS 318.A NZ ASP 285.A OD2 no hydrogen 3.361 N/A ILE 319.A N ALA 315.A O no hydrogen 2.993 N/A ILE 320.A N LYS 316.A O no hydrogen 3.141 N/A SER 321.A OG PRO 2.A O no hydrogen 2.583 N/A GLY 322.A N ASP 317.A O no hydrogen 2.914 N/A ASN 323.A N LYS 318.A O no hydrogen 2.790 N/A ASN 323.A ND2 GLU 284.A O no hydrogen 2.781 N/A ASN 323.A ND2 VAL 287.A O no hydrogen 2.848 N/A SER 325.A N SER 321.A O no hydrogen 3.064 N/A SER 325.A OG ILE 330.A O no hydrogen 3.384 N/A PHE 327.A N ASN 323.A O no hydrogen 3.116 N/A PHE 328.A N ALA 324.A O no hydrogen 3.300 N/A ASN 329.A N LYS 326.A O no hydrogen 2.901 N/A ILE 330.A N SER 325.A O no hydrogen 3.085 N/A