Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4i1p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N PRO 226.A O no hydrogen 3.090 N/A LYS 6.A NZ LEU 39.A O no hydrogen 3.094 N/A LYS 6.A NZ LEU 223.A O no hydrogen 3.017 N/A LYS 6.A NZ ASP 225.A O no hydrogen 2.368 N/A VAL 7.A N TYR 70.A O no hydrogen 2.845 N/A ALA 8.A N LYS 42.A O no hydrogen 3.023 N/A LEU 9.A N LEU 72.A O no hydrogen 2.867 N/A LEU 10.A N VAL 44.A O no hydrogen 2.920 N/A ILE 11.A N TYR 74.A O no hydrogen 2.911 N/A GLY 12.A N LEU 46.A O no hydrogen 2.975 N/A ASN 13.A N ALA 76.A O no hydrogen 2.840 N/A ASN 13.A ND2 TYR 75.A OH no hydrogen 3.416 N/A ASN 13.A ND2 VAL 89.A O no hydrogen 3.591 N/A MET 14.A N ASP 48.A OD1 no hydrogen 2.877 N/A ASN 15.A N ASP 48.A OD1 no hydrogen 3.088 N/A TYR 16.A N MET 14.A O no hydrogen 3.027 N/A TYR 16.A OH VAL 89.A O no hydrogen 2.783 N/A ARG 17.A N VAL 91.A O no hydrogen 3.120 N/A HIS 19.A NE2 PRO 94.A O no hydrogen 2.672 N/A LYS 21.A NZ ASN 15.A OD1 no hydrogen 3.076 N/A LYS 21.A NZ TYR 16.A O no hydrogen 2.828 N/A LEU 22.A N MET 14.A O no hydrogen 2.797 N/A LYS 23.A N GLU 163.A OE2 no hydrogen 3.043 N/A ALA 24.A N GLU 163.A OE1 no hydrogen 3.327 N/A ALA 24.A N GLU 163.A OE2 no hydrogen 3.151 N/A ASP 28.A N ALA 24.A O no hydrogen 2.958 N/A VAL 29.A N PRO 25.A O no hydrogen 2.866 N/A TYR 30.A N LEU 26.A O no hydrogen 3.097 N/A GLU 31.A N VAL 27.A O no hydrogen 2.859 N/A LEU 32.A N ASP 28.A O no hydrogen 2.925 N/A THR 33.A N VAL 29.A O no hydrogen 2.898 N/A THR 33.A OG1 VAL 29.A O no hydrogen 2.584 N/A ASN 34.A N TYR 30.A O no hydrogen 3.026 N/A LEU 35.A N GLU 31.A O no hydrogen 2.976 N/A LEU 36.A N LEU 32.A O no hydrogen 2.851 N/A ARG 37.A N THR 33.A O no hydrogen 2.914 N/A GLN 38.A N ASN 34.A O no hydrogen 2.924 N/A LEU 39.A N LEU 35.A O no hydrogen 3.106 N/A LEU 39.A N LEU 36.A O no hydrogen 2.966 N/A ASP 40.A N ARG 37.A O no hydrogen 2.860 N/A PHE 41.A N LEU 36.A O no hydrogen 3.055 N/A LYS 42.A N LYS 6.A O no hydrogen 2.862 N/A LYS 42.A NZ ASP 5.A OD1 no hydrogen 2.661 N/A LYS 42.A NZ ASP 5.A OD2 no hydrogen 3.238 N/A VAL 44.A N ALA 8.A O no hydrogen 3.045 N/A SER 45.A N SER 272.A OG no hydrogen 3.317 N/A LEU 46.A N LEU 10.A O no hydrogen 3.050 N/A LEU 47.A N ASN 273.A OD1 no hydrogen 3.005 N/A ASP 48.A N GLY 12.A O no hydrogen 2.649 N/A LEU 49.A N ASN 13.A OD1 no hydrogen 2.997 N/A THR 50.A N GLU 53.A OE1 no hydrogen 3.072 N/A GLU 51.A N ASP 92.A OD1 no hydrogen 3.113 N/A GLU 53.A N THR 50.A OG1 no hydrogen 3.254 N/A MET 54.A N THR 50.A O no hydrogen 2.787 N/A ARG 55.A N GLU 51.A O no hydrogen 2.948 N/A ARG 55.A NH2 GLU 51.A OE2 no hydrogen 3.377 N/A ASN 56.A N TYR 52.A O no hydrogen 2.981 N/A ALA 57.A N GLU 53.A O no hydrogen 2.835 N/A VAL 58.A N MET 54.A O no hydrogen 3.050 N/A ASP 59.A N ARG 55.A O no hydrogen 2.953 N/A GLU 60.A N ASN 56.A O no hydrogen 3.065 N/A PHE 61.A N ALA 57.A O no hydrogen 3.064 N/A LEU 62.A N VAL 58.A O no hydrogen 2.966 N/A LEU 63.A N ASP 59.A O no hydrogen 3.229 N/A LEU 63.A N GLU 60.A O no hydrogen 2.972 N/A LEU 64.A N PHE 61.A O no hydrogen 3.024 N/A LEU 65.A N LEU 62.A O no hydrogen 3.147 N/A GLY 68.A N GLU 116.A O no hydrogen 2.950 N/A VAL 69.A N ASP 66.A O no hydrogen 2.880 N/A TYR 70.A N ASP 5.A O no hydrogen 2.770 N/A TYR 70.A OH ASP 225.A OD2 no hydrogen 2.600 N/A GLY 71.A N LEU 119.A O no hydrogen 2.885 N/A LEU 72.A N VAL 7.A O no hydrogen 2.876 N/A LEU 73.A N VAL 121.A O no hydrogen 2.867 N/A TYR 74.A N LEU 9.A O no hydrogen 2.905 N/A TYR 74.A OH ASP 125.A OD2 no hydrogen 2.779 N/A TYR 75.A N LEU 123.A O no hydrogen 3.073 N/A TYR 75.A OH HIS 78.A O no hydrogen 2.767 N/A ALA 76.A N ILE 11.A O no hydrogen 2.929 N/A HIS 78.A N TYR 16.A OH no hydrogen 2.744 N/A HIS 78.A NE2 PRO 20.A O no hydrogen 2.912 N/A TYR 80.A N PHE 87.A O no hydrogen 2.963 N/A TYR 80.A OH ASP 134.A OD2 no hydrogen 2.651 N/A GLU 81.A N LYS 129.A O no hydrogen 2.717 N/A ASN 82.A N ASN 85.A O no hydrogen 3.160 N/A ASN 82.A ND2 ASN 131.A O no hydrogen 3.265 N/A ASN 85.A N ASN 82.A O no hydrogen 2.963 N/A SER 86.A N GLN 106.A OE1 no hydrogen 2.958 N/A SER 86.A OG GLU 81.A OE1 no hydrogen 3.138 N/A PHE 87.A N TYR 80.A O no hydrogen 2.849 N/A MET 88.A N LEU 103.A O no hydrogen 2.849 N/A VAL 89.A N HIS 78.A O no hydrogen 2.967 N/A VAL 91.A N LEU 49.A O no hydrogen 3.065 N/A ALA 93.A N PRO 90.A O no hydrogen 3.313 N/A ARG 98.A N ASN 101.A OD1 no hydrogen 3.182 N/A GLU 100.A N GLU 100.A OE1 no hydrogen 2.994 N/A ASN 101.A N ARG 98.A O no hydrogen 3.112 N/A CYS 102.A N SER 99.A O no hydrogen 2.801 N/A CYS 102.A SG ARG 98.A O no hydrogen 3.843 N/A LEU 103.A N MET 88.A O no hydrogen 3.031 N/A CYS 104.A SG SER 86.A O no hydrogen 3.965 N/A CYS 104.A SG GLN 106.A OE1 no hydrogen 3.685 N/A VAL 105.A N SER 86.A O no hydrogen 2.840 N/A LEU 109.A N VAL 105.A O no hydrogen 2.957 N/A LYS 110.A N GLN 106.A O no hydrogen 2.859 N/A LEU 111.A N ASN 107.A O no hydrogen 2.966 N/A MET 112.A N ILE 108.A O no hydrogen 2.918 N/A GLN 113.A N LEU 109.A O no hydrogen 2.867 N/A GLN 113.A NE2 LYS 144.A O no hydrogen 2.876 N/A GLN 113.A NE2 THR 146.A OG1 no hydrogen 2.202 N/A GLU 114.A N LYS 110.A O no hydrogen 3.012 N/A LYS 115.A N LEU 111.A O no hydrogen 3.334 N/A LYS 115.A N MET 112.A O no hydrogen 2.977 N/A LYS 115.A NZ LEU 62.A O no hydrogen 2.392 N/A LYS 115.A NZ LEU 65.A O no hydrogen 3.504 N/A GLU 116.A N GLN 113.A O no hydrogen 2.870 N/A THR 117.A OG1 MET 112.A O no hydrogen 3.515 N/A THR 117.A OG1 ASN 120.A OD1 no hydrogen 2.539 N/A GLY 118.A N VAL 69.A O no hydrogen 3.017 N/A ASN 120.A N ASN 148.A O no hydrogen 2.800 N/A ASN 120.A ND2 ASN 148.A O no hydrogen 3.634 N/A VAL 121.A N GLY 71.A O no hydrogen 2.839 N/A PHE 122.A N VAL 150.A O no hydrogen 2.876 N/A LEU 123.A N LEU 73.A O no hydrogen 2.866 N/A LEU 124.A N GLY 152.A O no hydrogen 3.019 N/A ASP 125.A N TYR 75.A O no hydrogen 2.869 N/A CYS 127.A SG ALA 161.A O no hydrogen 3.774 N/A ARG 128.A N ALA 159.A O no hydrogen 2.956 N/A ARG 128.A NE THR 155.A O no hydrogen 2.970 N/A ARG 128.A NH1 GLU 81.A OE1 no hydrogen 2.947 N/A ARG 128.A NH1 GLU 81.A OE2 no hydrogen 3.464 N/A ARG 128.A NH2 THR 155.A O no hydrogen 2.953 N/A ASN 131.A N ASN 82.A OD1 no hydrogen 3.091 N/A ASN 131.A ND2 TYR 97.A O no hydrogen 3.105 N/A TYR 133.A N ASN 131.A OD1 no hydrogen 3.154 N/A ASP 134.A N ASN 131.A O no hydrogen 3.118 N/A THR 136.A N ASP 134.A OD1 no hydrogen 3.404 N/A THR 136.A OG1 ASP 134.A OD1 no hydrogen 2.820 N/A THR 146.A N LYS 144.A O no hydrogen 2.913 N/A THR 146.A OG1 LYS 144.A O no hydrogen 3.331 N/A VAL 150.A N ASN 120.A O no hydrogen 2.962 N/A PHE 151.A N ARG 214.A O no hydrogen 2.857 N/A GLY 152.A N PHE 122.A O no hydrogen 2.585 N/A TYR 153.A N GLU 212.A O no hydrogen 2.855 N/A ALA 154.A N LEU 124.A O no hydrogen 2.969 N/A THR 155.A OG1 GLU 160.A O no hydrogen 2.677 N/A CYS 156.A SG ALA 210.A O no hydrogen 3.353 N/A GLY 158.A N ARG 128.A O no hydrogen 2.926 N/A ALA 159.A N CYS 156.A O no hydrogen 2.965 N/A PHE 162.A N GLN 209.A OE1 no hydrogen 2.823 N/A HIS 166.A N ILE 164.A O no hydrogen 2.952 N/A ASN 171.A ND2 ASP 28.A OD1 no hydrogen 2.729 N/A ASN 171.A ND2 GLU 31.A OE1 no hydrogen 2.921 N/A GLY 172.A N ASP 28.A OD1 no hydrogen 3.108 N/A GLY 172.A N ASP 28.A OD2 no hydrogen 3.374 N/A ILE 173.A N PHE 162.A O no hydrogen 3.042 N/A LYS 176.A N GLY 172.A O no hydrogen 2.929 N/A PHE 177.A N ILE 173.A O no hydrogen 3.123 N/A PHE 177.A N PHE 174.A O no hydrogen 3.060 N/A LEU 178.A N PHE 174.A O no hydrogen 2.792 N/A LYS 179.A N MET 175.A O no hydrogen 2.964 N/A LYS 179.A NZ GLU 31.A OE1 no hydrogen 3.013 N/A LYS 179.A NZ ASN 171.A OD1 no hydrogen 2.642 N/A ARG 181.A N LEU 178.A O no hydrogen 2.916 N/A ARG 181.A NE ASP 198.A OD2 no hydrogen 2.470 N/A ARG 181.A NH1 GLU 184.A OE2 no hydrogen 3.235 N/A ARG 181.A NH2 ASP 198.A OD1 no hydrogen 2.871 N/A ARG 181.A NH2 ASP 198.A OD2 no hydrogen 2.922 N/A LEU 182.A N LEU 178.A O no hydrogen 3.005 N/A GLU 184.A N ARG 181.A O no hydrogen 2.890 N/A LYS 186.A N GLU 184.A O no hydrogen 3.009 N/A LYS 186.A NZ GLU 194.A OE2 no hydrogen 3.095 N/A LYS 187.A NZ LEU 217.A O no hydrogen 2.983 N/A ILE 188.A N ARG 221.A O no hydrogen 3.256 N/A LEU 191.A N LYS 187.A O no hydrogen 3.088 N/A LEU 192.A N ILE 188.A O no hydrogen 2.925 N/A ASP 193.A N THR 189.A O no hydrogen 2.933 N/A GLU 194.A N VAL 190.A O no hydrogen 2.892 N/A VAL 195.A N LEU 191.A O no hydrogen 2.959 N/A ALA 196.A N LEU 192.A O no hydrogen 2.796 N/A GLU 197.A N ASP 193.A O no hydrogen 3.029 N/A ASP 198.A N GLU 194.A O no hydrogen 2.975 N/A MET 199.A N VAL 195.A O no hydrogen 2.997 N/A GLY 200.A N ALA 196.A O no hydrogen 3.089 N/A LYS 201.A N ASP 198.A O no hydrogen 3.109 N/A CYS 202.A N MET 199.A O no hydrogen 2.814 N/A THR 205.A OG1 CYS 202.A O no hydrogen 3.511 N/A LYS 206.A N CYS 202.A O no hydrogen 3.105 N/A LYS 206.A N HIS 203.A O no hydrogen 3.359 N/A LYS 206.A NZ GLY 200.A O no hydrogen 2.312 N/A LYS 208.A N THR 205.A O no hydrogen 2.801 N/A GLN 209.A N THR 205.A O no hydrogen 2.988 N/A GLN 209.A NE2 ALA 154.A O no hydrogen 3.031 N/A GLU 212.A N TYR 153.A O no hydrogen 3.022 N/A ARG 214.A N PHE 151.A O no hydrogen 2.993 N/A SER 216.A N ILE 149.A O no hydrogen 2.878 N/A LEU 217.A N SER 215.A OG no hydrogen 3.118 N/A SER 218.A N ALA 147.A O no hydrogen 3.072 N/A ARG 221.A N GLU 219.A O no hydrogen 2.723 N/A ARG 221.A NH1 TYR 70.A OH no hydrogen 2.926 N/A ALA 222.A N ASP 225.A OD2 no hydrogen 2.938 N/A THR 224.A OG1 ASP 185.A OD1 no hydrogen 2.973 N/A ASP 225.A N ALA 222.A O no hydrogen 3.182 N/A GLN 228.A N ALA 3.A O no hydrogen 2.932 N/A THR 230.A OG1 GLN 228.A O no hydrogen 3.208 N/A TYR 232.A OH ASP 5.A OD1 no hydrogen 3.336 N/A SER 236.A OG SER 233.A O no hydrogen 3.393 N/A LEU 237.A N SER 233.A O no hydrogen 3.080 N/A VAL 238.A N ALA 234.A O no hydrogen 3.106 N/A ARG 239.A N GLU 235.A O no hydrogen 3.025 N/A ARG 239.A NH1 ASP 66.A OD2 no hydrogen 2.416 N/A ASN 240.A N SER 236.A O no hydrogen 2.596 N/A LEU 241.A N LEU 237.A O no hydrogen 2.657 N/A GLN 242.A N VAL 238.A O no hydrogen 2.783 N/A TRP 243.A N ARG 239.A O no hydrogen 2.874 N/A ALA 244.A N ASN 240.A O no hydrogen 2.899 N/A LYS 245.A N LEU 241.A O no hydrogen 2.914 N/A ALA 246.A N GLN 242.A O no hydrogen 2.929 N/A HIS 247.A N TRP 243.A O no hydrogen 2.878 N/A HIS 247.A ND1 HIS 247.A O no hydrogen 2.456 N/A GLU 248.A N LYS 245.A O no hydrogen 3.185 N/A MET 253.A N LEU 265.A O no hydrogen 3.146 N/A CYS 254.A SG ILE 263.A O no hydrogen 4.027 N/A LEU 255.A N ILE 263.A O no hydrogen 2.877 N/A PHE 257.A N VAL 261.A O no hydrogen 3.001 N/A GLY 260.A N PHE 257.A O no hydrogen 2.639 N/A GLN 262.A N TYR 283.A O no hydrogen 3.383 N/A ILE 263.A N LEU 255.A O no hydrogen 3.012 N/A GLN 264.A N SER 280.A O no hydrogen 3.209 N/A LEU 265.A N MET 253.A O no hydrogen 3.158 N/A GLY 266.A N TYR 278.A O no hydrogen 2.814 N/A ALA 268.A N ILE 276.A O no hydrogen 2.737 N/A GLU 270.A N VAL 274.A O no hydrogen 2.807 N/A PHE 271.A N VAL 274.A O no hydrogen 3.221 N/A SER 272.A N SER 45.A O no hydrogen 2.708 N/A ASN 273.A ND2 LEU 47.A O no hydrogen 2.934 N/A ASN 273.A ND2 GLN 339.A OE1 no hydrogen 2.918 N/A VAL 274.A N PHE 271.A O no hydrogen 2.937 N/A MET 275.A N LEU 335.A O no hydrogen 2.861 N/A ILE 276.A N ALA 268.A O no hydrogen 2.562 N/A ILE 277.A N THR 333.A O no hydrogen 2.887 N/A TYR 278.A N GLY 266.A O no hydrogen 2.864 N/A THR 279.A N LEU 331.A O no hydrogen 3.079 N/A SER 280.A N GLN 264.A O no hydrogen 3.282 N/A TYR 283.A N GLN 262.A O no hydrogen 3.097 N/A GLU 287.A N GLU 287.A OE1 no hydrogen 3.119 N/A ILE 288.A N PRO 285.A O no hydrogen 3.096 N/A ASP 292.A N SER 352.A O no hydrogen 2.850 N/A TYR 294.A N CYS 350.A O no hydrogen 2.942 N/A VAL 295.A N ASN 310.A OD1 no hydrogen 2.831 N/A THR 296.A N THR 348.A O no hydrogen 2.955 N/A THR 296.A OG1 ASP 297.A OD1 no hydrogen 3.111 N/A ASP 297.A N THR 296.A OG1 no hydrogen 2.525 N/A LEU 302.A N PRO 299.A O no hydrogen 3.236 N/A ASP 303.A N LEU 300.A O no hydrogen 2.763 N/A ASP 308.A N ASP 305.A O no hydrogen 2.549 N/A ASN 310.A N THR 333.A OG1 no hydrogen 3.101 N/A ASN 310.A ND2 VAL 295.A O no hydrogen 3.118 N/A LYS 311.A N TYR 332.A O no hydrogen 2.932 N/A LYS 311.A NZ LYS 307.A O no hydrogen 2.771 N/A THR 313.A N GLU 316.A OE1 no hydrogen 3.343 N/A THR 313.A OG1 GLU 316.A OE1 no hydrogen 3.351 N/A GLU 315.A N GLU 315.A OE1 no hydrogen 2.417 N/A GLU 316.A N THR 313.A O no hydrogen 2.994 N/A THR 317.A N PRO 314.A O no hydrogen 2.899 N/A THR 317.A OG1 PRO 314.A O no hydrogen 2.556 N/A GLY 318.A N GLU 315.A O no hydrogen 3.432 N/A SER 319.A N PRO 314.A O no hydrogen 3.356 N/A SER 319.A N THR 317.A OG1 no hydrogen 3.178 N/A SER 319.A OG GLU 270.A OE1 no hydrogen 3.115 N/A SER 319.A OG VAL 322.A O no hydrogen 3.559 N/A CYS 330.A SG PRO 327.A O no hydrogen 4.034 N/A CYS 330.A SG LYS 328.A O no hydrogen 3.488 N/A LEU 331.A N THR 279.A O no hydrogen 2.949 N/A TYR 332.A N LYS 311.A O no hydrogen 3.018 N/A TYR 332.A OH PRO 327.A O no hydrogen 2.210 N/A THR 333.A N ILE 277.A O no hydrogen 2.855 N/A ARG 334.A NE GLU 270.A OE2 no hydrogen 2.759 N/A ARG 334.A NH2 GLU 270.A OE2 no hydrogen 2.463 N/A LEU 335.A N MET 275.A O no hydrogen 2.803 N/A LEU 338.A N ASN 273.A O no hydrogen 2.992 N/A GLN 339.A N GLN 339.A OE1 no hydrogen 2.742 N/A GLN 339.A NE2 GLU 53.A OE1 no hydrogen 2.917 N/A LYS 340.A N SER 337.A O no hydrogen 2.968 N/A LEU 341.A N LEU 338.A O no hydrogen 3.216 N/A LEU 345.A N GLY 371.A O no hydrogen 2.562 N/A PHE 347.A N VAL 368.A O no hydrogen 2.990 N/A THR 348.A N THR 296.A O no hydrogen 2.866 N/A VAL 349.A N GLN 366.A O no hydrogen 2.947 N/A CYS 350.A N TYR 294.A O no hydrogen 2.869 N/A LEU 351.A N ASP 364.A O no hydrogen 2.813 N/A SER 352.A N ASP 292.A O no hydrogen 2.859 N/A TYR 353.A N VAL 362.A O no hydrogen 3.030 N/A GLN 354.A N MET 290.A O no hydrogen 3.330 N/A GLN 354.A NE2 THR 361.A OG1 no hydrogen 2.934 N/A SER 356.A N GLU 287.A O no hydrogen 2.442 N/A VAL 362.A N TYR 353.A O no hydrogen 2.849 N/A ASP 364.A N LEU 351.A O no hydrogen 2.954 N/A GLN 366.A N VAL 349.A O no hydrogen 2.893 N/A GLN 366.A NE2 LYS 256.A O no hydrogen 3.557 N/A VAL 368.A N PHE 347.A O no hydrogen 2.853 N/A ASN 369.A ND2 ASN 369.A O no hydrogen 2.322 N/A ILE 375.A N SER 272.A O no hydrogen 3.216 N/A ALA 376.A N PRO 373.A O no hydrogen 3.084 N/A LYS 377.A N LEU 374.A O no hydrogen 2.907 N/A LYS 377.A NZ LYS 245.A O no hydrogen 3.236 N/A LYS 377.A NZ GLU 248.A O no hydrogen 3.563 N/A LEU 378.A N ILE 375.A O no hydrogen 2.957 N/A ASP 379.A N ALA 376.A O no hydrogen 3.149 N/A