Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4iai_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ.C LYS 2.A O no hydrogen 2.729 N/A LEU 5.A N VAL 1.A O no hydrogen 2.699 N/A ALA 6.A N LYS 2.A O no hydrogen 3.089 N/A LYS 7.A N GLU 3.A O no hydrogen 3.239 N/A ALA 8.A N PHE 4.A O no hydrogen 2.965 N/A LYS 9.A N LEU 5.A O no hydrogen 2.871 N/A LYS 9.A NZ SER 144.A O no hydrogen 2.933 N/A LYS 9.A NZ ASP 146.A OD2 no hydrogen 2.842 N/A GLU 10.A N ALA 6.A O no hydrogen 3.223 N/A ASP 11.A N LYS 7.A O no hydrogen 3.158 N/A PHE 12.A N ALA 8.A O no hydrogen 3.018 N/A LEU 13.A N LYS 9.A O no hydrogen 2.795 N/A LYS 14.A N GLU 10.A O no hydrogen 3.150 N/A LYS 15.A N ASP 11.A O no hydrogen 3.468 N/A TRP 16.A N PHE 12.A O no hydrogen 2.801 N/A GLU 17.A N LEU 13.A O no hydrogen 2.882 N/A THR 18.A N LYS 14.A O no hydrogen 3.166 N/A SER 20.A N GLN 82.A OE1 no hydrogen 2.972 N/A GLN 21.A NE2 THR 331.A O no hydrogen 3.264 N/A GLN 21.A NE2 PHE 333.A O no hydrogen 3.079 N/A THR 23.A N SER 95.A O no hydrogen 2.842 N/A THR 23.A OG1 SER 95.A O no hydrogen 3.454 N/A GLN 25.A N GLN 28.A OE1 no hydrogen 3.120 N/A GLN 25.A NE2 ASP 27.A OD1 no hydrogen 2.741 N/A GLN 28.A N GLN 25.A O no hydrogen 3.055 N/A PHE 29.A N LEU 26.A O no hydrogen 3.163 N/A ASP 30.A N LYS 47.A O no hydrogen 2.860 N/A ILE 32.A N LEU 45.A O no hydrogen 2.857 N/A LYS 33.A N LEU 45.A O no hydrogen 3.484 N/A LYS 33.A NZ ASP 313.A OD1 no hydrogen 2.646 N/A THR 34.A N GLU 316.A OE2 no hydrogen 2.803 N/A THR 34.A OG1 GLU 316.A OE1 no hydrogen 2.542 N/A LEU 35.A N VAL 43.A O no hydrogen 2.771 N/A GLY 36.A N VAL 43.A O no hydrogen 3.377 N/A GLY 38.A N GLY 41.A O no hydrogen 3.034 N/A ARG 42.A N ILE 59.A O no hydrogen 3.283 N/A ARG 42.A NH1 THR 34.A OG1 no hydrogen 2.807 N/A ARG 42.A NH1 GLU 315.A O no hydrogen 3.069 N/A VAL 43.A N GLY 36.A O no hydrogen 2.919 N/A MET 44.A N MET 57.A O no hydrogen 2.832 N/A LEU 45.A N LYS 33.A O no hydrogen 2.728 N/A VAL 46.A N TYR 55.A O no hydrogen 2.848 N/A LYS 47.A N ASP 30.A O no hydrogen 2.803 N/A HIS 48.A N ASN 53.A O no hydrogen 2.882 N/A HIS 48.A ND1 SER 51.A OG no hydrogen 2.880 N/A LYS 49.A N GLN 28.A O no hydrogen 2.909 N/A LYS 49.A NZ ASP 27.A O no hydrogen 2.792 N/A SER 51.A N HIS 48.A ND1 no hydrogen 3.279 N/A SER 51.A OG HIS 48.A ND1 no hydrogen 2.880 N/A GLY 52.A N HIS 48.A O no hydrogen 2.766 N/A ASN 53.A N SER 51.A OG no hydrogen 3.102 N/A ASN 53.A ND2 TYR 55.A OH no hydrogen 3.149 N/A TYR 55.A N VAL 46.A O no hydrogen 2.943 N/A ALA 56.A N MET 106.A O no hydrogen 2.892 N/A MET 57.A N MET 44.A O no hydrogen 2.708 N/A LYS 58.A N MET 104.A O no hydrogen 2.726 N/A LYS 58.A NZ GLU 77.A OE2 no hydrogen 2.714 N/A ILE 59.A N ARG 42.A O no hydrogen 2.805 N/A LEU 60.A N LEU 102.A O no hydrogen 2.897 N/A LYS 62.A N SER 100.A O no hydrogen 2.924 N/A LYS 62.A NZ ASP 98.A O no hydrogen 2.747 N/A LYS 62.A NZ ASN 99.A O no hydrogen 3.195 N/A LYS 62.A NZ LYS 325.A O no hydrogen 2.844 N/A LYS 64.A N ASP 61.A OD1 no hydrogen 3.372 N/A VAL 65.A N ASP 61.A O no hydrogen 2.983 N/A VAL 66.A N LYS 62.A O no hydrogen 2.957 N/A LYS 67.A N GLN 63.A O no hydrogen 2.961 N/A LEU 68.A N LYS 64.A O no hydrogen 2.971 N/A LYS 69.A N VAL 66.A O no hydrogen 2.914 N/A GLN 70.A N VAL 65.A O no hydrogen 2.938 N/A GLN 70.A NE2 LEU 68.A O no hydrogen 3.066 N/A HIS 73.A ND1 GLN 70.A OE1 no hydrogen 2.724 N/A THR 74.A N GLN 70.A O no hydrogen 2.919 N/A THR 74.A OG1 GLN 70.A O no hydrogen 2.784 N/A LEU 75.A N ILE 71.A O no hydrogen 2.878 N/A ASN 76.A N GLU 72.A O no hydrogen 2.840 N/A GLU 77.A N HIS 73.A O no hydrogen 2.871 N/A LYS 78.A N THR 74.A O no hydrogen 3.169 N/A LYS 78.A NZ SER 20.A O no hydrogen 2.751 N/A LYS 78.A NZ GLU 332.A O no hydrogen 3.557 N/A LYS 78.A NZ PHE 333.A OXT no hydrogen 2.714 N/A ARG 79.A N LEU 75.A O no hydrogen 2.941 N/A ARG 79.A NE TRP 16.A O no hydrogen 3.047 N/A ARG 79.A NH2 TRP 16.A O no hydrogen 2.917 N/A ILE 80.A N ASN 76.A O no hydrogen 2.844 N/A LEU 81.A N GLU 77.A O no hydrogen 2.940 N/A GLN 82.A N LYS 78.A O no hydrogen 3.043 N/A GLN 82.A NE2 LYS 15.A O no hydrogen 2.894 N/A GLN 82.A NE2 ARG 79.A O no hydrogen 2.917 N/A ALA 83.A N ILE 80.A O no hydrogen 2.904 N/A VAL 84.A N ILE 80.A O no hydrogen 3.240 N/A ASN 85.A N TYR 141.A OH no hydrogen 2.913 N/A LEU 89.A N PHE 86.A O no hydrogen 3.130 N/A VAL 90.A N VAL 167.A O no hydrogen 2.976 N/A LYS 91.A NZ GLU 93.A OE1 no hydrogen 3.424 N/A GLU 93.A N VAL 105.A O no hydrogen 2.737 N/A PHE 94.A N VAL 105.A O no hydrogen 3.048 N/A SER 95.A N THR 23.A OG1 no hydrogen 3.040 N/A PHE 96.A N TYR 103.A O no hydrogen 3.085 N/A LYS 97.A NZ PHE 330.A O no hydrogen 2.871 N/A LYS 97.A NZ PHE 333.A O no hydrogen 2.914 N/A ASP 98.A N ASN 101.A O no hydrogen 2.929 N/A SER 100.A N ASP 98.A OD1 no hydrogen 2.977 N/A ASN 101.A N ASP 98.A OD1 no hydrogen 2.806 N/A ASN 101.A ND2 TYR 103.A OH no hydrogen 3.002 N/A ASN 101.A ND2 ARG 320.A O no hydrogen 3.488 N/A LEU 102.A N LEU 60.A O no hydrogen 2.801 N/A TYR 103.A N PHE 96.A O no hydrogen 2.876 N/A TYR 103.A OH ASP 98.A OD2 no hydrogen 2.711 N/A MET 104.A N LYS 58.A O no hydrogen 2.927 N/A VAL 105.A N PHE 94.A O no hydrogen 2.867 N/A MET 106.A N ALA 56.A O no hydrogen 2.839 N/A GLU 107.A N LYS 91.A O no hydrogen 3.007 N/A TYR 108.A OH ASP 307.A O no hydrogen 2.653 N/A MET 114.A N LEU 157.A O no hydrogen 2.763 N/A PHE 115.A N PRO 154.A O no hydrogen 3.296 N/A SER 116.A N GLU 113.A O no hydrogen 3.234 N/A SER 116.A OG GLU 113.A O no hydrogen 3.073 N/A HIS 117.A NE2 GLY 111.A O no hydrogen 2.735 N/A LEU 118.A N MET 114.A O no hydrogen 2.818 N/A ARG 119.A N PHE 115.A O no hydrogen 2.899 N/A ARG 119.A NH1 GLU 214.A OE2 no hydrogen 2.821 N/A ARG 119.A NH2 GLU 214.A OE2 no hydrogen 3.039 N/A ARG 120.A N SER 116.A O no hydrogen 3.014 N/A ARG 120.A NH1 HIS 117.A ND1 no hydrogen 3.440 N/A ARG 120.A NH2 HIS 117.A ND1 no hydrogen 2.816 N/A ILE 121.A N HIS 117.A O no hydrogen 2.931 N/A GLY 122.A N LEU 118.A O no hydrogen 2.841 N/A PHE 124.A N MET 215.A O no hydrogen 2.778 N/A HIS 127.A NE2 TYR 131.A OH no hydrogen 2.941 N/A ARG 129.A N GLU 125.A O no hydrogen 2.809 N/A ARG 129.A NH2 TRP 280.A O no hydrogen 2.903 N/A PHE 130.A N PRO 126.A O no hydrogen 2.971 N/A TYR 131.A N HIS 127.A O no hydrogen 3.281 N/A TYR 131.A OH HIS 127.A NE2 no hydrogen 2.941 N/A ALA 132.A N ALA 128.A O no hydrogen 2.780 N/A ALA 133.A N ARG 129.A O no hydrogen 2.915 N/A GLN 134.A NE2 PHE 130.A O no hydrogen 2.988 N/A ILE 135.A N TYR 131.A O no hydrogen 3.229 N/A VAL 136.A N ALA 132.A O no hydrogen 2.845 N/A LEU 137.A N ALA 133.A O no hydrogen 3.022 N/A THR 138.A N GLN 134.A O no hydrogen 2.948 N/A THR 138.A OG1 GLN 134.A O no hydrogen 2.707 N/A PHE 139.A N ILE 135.A O no hydrogen 2.802 N/A GLU 140.A N VAL 136.A O no hydrogen 2.853 N/A TYR 141.A N LEU 137.A O no hydrogen 3.027 N/A LEU 142.A N THR 138.A O no hydrogen 2.833 N/A HIS 143.A N PHE 139.A O no hydrogen 2.826 N/A HIS 143.A ND1 LEU 147.A O no hydrogen 3.106 N/A SER 144.A N GLU 140.A O no hydrogen 3.132 N/A SER 144.A N TYR 141.A O no hydrogen 3.144 N/A SER 144.A OG TYR 141.A O no hydrogen 2.748 N/A LEU 145.A N LEU 142.A O no hydrogen 2.994 N/A ASP 146.A N HIS 143.A O no hydrogen 2.956 N/A LEU 147.A N LEU 142.A O no hydrogen 3.000 N/A ILE 148.A N LYS 174.A O no hydrogen 2.938 N/A TYR 149.A N ASP 204.A OD2 no hydrogen 2.852 N/A TYR 149.A OH THR 168.A O no hydrogen 2.699 N/A TYR 149.A OH ASP 169.A O no hydrogen 3.208 N/A ARG 150.A N ASP 204.A OD1 no hydrogen 2.886 N/A ARG 150.A NE PHE 172.A O no hydrogen 2.678 N/A ARG 150.A NH1 TYR 199.A OH no hydrogen 2.838 N/A ARG 150.A NH2 PHE 172.A O no hydrogen 2.949 N/A LYS 153.A NZ THR 185.A OG1 no hydrogen 2.881 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 2.646 N/A ASN 156.A N LYS 153.A O no hydrogen 2.927 N/A ASN 156.A ND2 ASP 151.A O no hydrogen 2.847 N/A LEU 157.A N PRO 154.A O no hydrogen 3.287 N/A LEU 158.A N GLN 166.A O no hydrogen 2.846 N/A ILE 159.A N GLY 112.A O no hydrogen 2.904 N/A ASP 160.A N TYR 164.A O no hydrogen 2.787 N/A GLN 162.A N ASP 160.A OD1 no hydrogen 2.911 N/A GLY 163.A N ASP 160.A O no hydrogen 2.802 N/A TYR 164.A N ASP 160.A OD1 no hydrogen 2.920 N/A TYR 164.A OH VAL 294.A O no hydrogen 2.604 N/A ILE 165.A N GLN 134.A OE1 no hydrogen 2.820 N/A GLN 166.A N LEU 158.A O no hydrogen 2.743 N/A GLN 166.A NE2 PRO 87.A O no hydrogen 2.821 N/A GLN 166.A NE2 ILE 165.A O no hydrogen 3.101 N/A VAL 167.A N PHE 88.A O no hydrogen 2.747 N/A THR 168.A N ASN 156.A O no hydrogen 3.022 N/A GLY 171.A N ASP 169.A OD1 no hydrogen 3.084 N/A ALA 173.A N PHE 170.A O no hydrogen 3.037 N/A LYS 174.A N ILE 148.A O no hydrogen 3.029 N/A ARG 175.A NE LEU 145.A O no hydrogen 3.007 N/A ARG 175.A NH2 ASP 146.A OD2 no hydrogen 3.075 N/A VAL 176.A N ASP 146.A O no hydrogen 2.840 N/A THR 180.A N TYR 199.A O no hydrogen 2.955 N/A THR 185.A OG1 ASP 151.A OD1 no hydrogen 2.838 N/A GLU 187.A N GLU 187.A OE1 no hydrogen 2.740 N/A TYR 188.A N THR 185.A O no hydrogen 2.823 N/A TYR 188.A OH GLU 214.A OE1 no hydrogen 2.634 N/A LEU 189.A N PRO 186.A O no hydrogen 3.223 N/A GLU 192.A N GLU 192.A OE2 no hydrogen 2.801 N/A ILE 193.A N ALA 190.A O no hydrogen 3.004 N/A ILE 194.A N ALA 190.A O no hydrogen 3.331 N/A LEU 195.A N PRO 191.A O no hydrogen 2.889 N/A SER 196.A N ILE 193.A O no hydrogen 3.161 N/A TYR 199.A N THR 180.A O no hydrogen 2.873 N/A LYS 201.A NZ.A VAL 176.A O no hydrogen 2.817 N/A ALA 202.A N ASN 200.A OD1 no hydrogen 2.858 N/A VAL 203.A N ASN 200.A O no hydrogen 3.113 N/A ASP 204.A N LYS 201.A O no hydrogen 2.942 N/A TRP 206.A N ALA 202.A O no hydrogen 3.160 N/A ALA 207.A N VAL 203.A O no hydrogen 2.968 N/A LEU 208.A N ASP 204.A O no hydrogen 2.903 N/A GLY 209.A N TRP 205.A O no hydrogen 3.169 N/A VAL 210.A N TRP 206.A O no hydrogen 3.017 N/A LEU 211.A N ALA 207.A O no hydrogen 2.846 N/A ILE 212.A N LEU 208.A O no hydrogen 2.845 N/A TYR 213.A N GLY 209.A O no hydrogen 2.979 N/A TYR 213.A OH ARG 240.A O no hydrogen 2.664 N/A GLU 214.A N VAL 210.A O no hydrogen 2.836 N/A MET 215.A N LEU 211.A O no hydrogen 2.788 N/A ALA 216.A N ILE 212.A O no hydrogen 2.969 N/A ALA 217.A N TYR 213.A O no hydrogen 2.747 N/A GLY 218.A N GLU 214.A O no hydrogen 2.868 N/A ASP 225.A N GLN 229.A OE1 no hydrogen 3.292 N/A GLN 226.A N GLN 229.A OE1 no hydrogen 3.277 N/A GLN 229.A N GLN 226.A O no hydrogen 3.086 N/A ILE 230.A N GLN 226.A O no hydrogen 3.297 N/A TYR 231.A N PRO 227.A O no hydrogen 2.815 N/A GLU 232.A N ILE 228.A O no hydrogen 3.073 N/A LYS 233.A N GLN 229.A O no hydrogen 3.291 N/A ILE 234.A N ILE 230.A O no hydrogen 2.965 N/A VAL 235.A N TYR 231.A O no hydrogen 2.960 N/A SER 236.A N GLU 232.A O no hydrogen 2.993 N/A SER 236.A OG GLU 232.A O no hydrogen 2.626 N/A GLY 237.A N LYS 233.A O no hydrogen 3.018 N/A PHE 245.A N PRO 242.A O no hydrogen 3.111 N/A SER 246.A N GLU 125.A OE2 no hydrogen 2.814 N/A SER 246.A OG GLU 125.A OE1 no hydrogen 2.671 N/A LEU 249.A N SER 246.A OG no hydrogen 3.040 N/A LYS 250.A N SER 246.A O no hydrogen 2.987 N/A ASP 251.A N SER 247.A O no hydrogen 2.977 N/A LEU 252.A N ASP 248.A O no hydrogen 3.033 N/A LEU 253.A N LEU 249.A O no hydrogen 2.893 N/A ARG 254.A N LYS 250.A O no hydrogen 2.928 N/A ASN 255.A N ASP 251.A O no hydrogen 3.259 N/A ASN 255.A N LEU 252.A O no hydrogen 2.897 N/A LEU 256.A N LEU 252.A O no hydrogen 2.949 N/A LEU 256.A N LEU 253.A O no hydrogen 3.220 N/A LEU 257.A N LEU 253.A O no hydrogen 2.711 N/A ASP 260.A N GLN 258.A OE1 no hydrogen 2.903 N/A THR 262.A N ASP 260.A OD1 no hydrogen 3.049 N/A THR 262.A OG1 ASP 260.A OD1 no hydrogen 2.830 N/A LYS 263.A N ASP 260.A O no hydrogen 2.720 N/A ARG 264.A NE GLN 258.A O no hydrogen 2.785 N/A ARG 264.A NH1 GLU 192.A OE1 no hydrogen 2.774 N/A ARG 264.A NH1 ALA 202.A O no hydrogen 3.017 N/A ARG 264.A NH2 GLU 192.A OE1 no hydrogen 3.441 N/A ARG 264.A NH2 GLU 192.A OE2 no hydrogen 2.887 N/A ARG 264.A NH2 GLN 258.A O no hydrogen 2.984 N/A PHE 265.A N ASN 255.A O no hydrogen 2.794 N/A ASN 267.A N ARG 264.A O no hydrogen 3.008 N/A ASN 267.A ND2 LEU 261.A O no hydrogen 2.850 N/A GLY 271.A N LEU 268.A O no hydrogen 2.944 N/A ASN 273.A N ASN 270.A O no hydrogen 3.120 N/A ASP 274.A N GLY 271.A O no hydrogen 3.224 N/A ILE 275.A N VAL 272.A O no hydrogen 2.951 N/A LYS 276.A N VAL 272.A O no hydrogen 2.900 N/A LYS 276.A NZ GLU 140.A OE1 no hydrogen 2.718 N/A LYS 276.A NZ GLU 140.A OE2 no hydrogen 3.437 N/A ASN 277.A N ASN 273.A O no hydrogen 2.861 N/A HIS 278.A N ILE 275.A O no hydrogen 3.067 N/A HIS 278.A NE2 ASP 251.A OD1 no hydrogen 2.646 N/A TRP 280.A N HIS 278.A ND1 no hydrogen 2.911 N/A TRP 280.A NE1 GLU 125.A OE1 no hydrogen 2.894 N/A PHE 281.A N HIS 278.A O no hydrogen 2.854 N/A ALA 282.A N LYS 279.A O no hydrogen 3.007 N/A THR 284.A N PHE 281.A O no hydrogen 2.922 N/A THR 284.A OG1 PHE 281.A O no hydrogen 3.515 N/A TRP 286.A NE1 LYS 276.A O no hydrogen 3.233 N/A ALA 288.A N ASP 285.A OD1 no hydrogen 3.030 N/A ILE 289.A N ASP 285.A O no hydrogen 3.004 N/A TYR 290.A N TRP 286.A O no hydrogen 3.141 N/A GLN 291.A N ILE 287.A O no hydrogen 2.840 N/A ARG 292.A N ILE 289.A O no hydrogen 2.834 N/A ARG 292.A NH1 PRO 87.A O no hydrogen 3.428 N/A ARG 292.A NH1 ASP 160.A OD2 no hydrogen 3.140 N/A ARG 292.A NH2 ASP 160.A OD1 no hydrogen 3.479 N/A ARG 292.A NH2 ASP 160.A OD2 no hydrogen 2.649 N/A LYS 293.A N ALA 288.A O no hydrogen 2.822 N/A ASP 307.A N GLY 304.A O no hydrogen 3.118 N/A SER 309.A N ASP 307.A OD1 no hydrogen 2.908 N/A SER 309.A OG.A ASP 307.A OD1 no hydrogen 2.900 N/A SER 309.A OG.A ASP 307.A OD2 no hydrogen 3.347 N/A SER 309.A OG.B ASP 307.A OD1 no hydrogen 2.431 N/A ASN 310.A ND2 ALA 110.A O no hydrogen 3.265 N/A ASN 310.A ND2 LYS 301.A O no hydrogen 3.081 N/A PHE 311.A N THR 308.A O no hydrogen 2.903 N/A LYS 325.A N ASN 99.A O no hydrogen 2.806 N/A GLU 329.A N GLU 329.A OE1 no hydrogen 2.721 N/A PHE 330.A N CYS 326.A O no hydrogen 3.303 N/A THR 331.A N LYS 328.A O no hydrogen 3.148 N/A THR 331.A OG1 GLY 327.A O no hydrogen 3.240 N/A THR 331.A OG1 LYS 328.A O no hydrogen 2.790 N/A PHE 333.A N PHE 330.A O no hydrogen 2.967 N/A