Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ils_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A NE2 ASP 2.A OD2 no hydrogen 2.659 N/A ARG 5.A NH1 ASP 254.A OD1 no hydrogen 3.104 N/A ARG 5.A NH1 ASP 254.A OD2 no hydrogen 2.893 N/A ARG 5.A NH2 ASP 254.A OD2 no hydrogen 2.680 N/A THR 7.A N ARG 5.A O no hydrogen 2.905 N/A THR 7.A OG1 SER 217.A OG no hydrogen 2.853 N/A THR 7.A OG1 PRO 249.A O no hydrogen 2.668 N/A TRP 8.A N HIS 216.A O no hydrogen 2.957 N/A TRP 8.A NE1 GLU 10.A OE1 no hydrogen 2.942 N/A ALA 9.A N PRO 333.A O no hydrogen 2.761 N/A GLU 10.A N SER 214.A O no hydrogen 2.654 N/A VAL 11.A N ILE 335.A O no hydrogen 2.814 N/A ASP 12.A N ALA 212.A O no hydrogen 2.879 N/A LEU 13.A N PHE 337.A O no hydrogen 2.858 N/A ASP 14.A N ASP 12.A OD1 no hydrogen 3.027 N/A ALA 15.A N ASP 12.A O no hydrogen 3.134 N/A ILE 16.A N ASP 12.A O no hydrogen 3.452 N/A TYR 17.A N LEU 13.A O no hydrogen 2.889 N/A ASP 18.A N ASP 14.A O no hydrogen 2.845 N/A ASN 19.A N ALA 15.A O no hydrogen 2.927 N/A ASN 19.A ND2 MET 202.A O no hydrogen 2.819 N/A ASN 19.A ND2 LYS 210.A O no hydrogen 2.811 N/A VAL 20.A N ILE 16.A O no hydrogen 3.036 N/A GLU 21.A N TYR 17.A O no hydrogen 2.857 N/A ASN 22.A N ASP 18.A O no hydrogen 2.987 N/A LEU 23.A N ASN 19.A O no hydrogen 3.360 N/A ARG 24.A N VAL 20.A O no hydrogen 2.822 N/A ARG 24.A NE ARG 24.A O no hydrogen 2.860 N/A ARG 24.A NH1 THR 31.A O no hydrogen 3.465 N/A ARG 24.A NH2 THR 31.A O no hydrogen 2.935 N/A ARG 25.A N GLU 21.A O no hydrogen 2.990 N/A LEU 26.A N ASN 22.A O no hydrogen 3.091 N/A LEU 27.A N LEU 23.A O no hydrogen 2.994 N/A THR 31.A N PRO 28.A O no hydrogen 3.306 N/A THR 31.A OG1 HIS 32.A O no hydrogen 3.502 N/A HIS 32.A N ASN 194.A O no hydrogen 2.708 N/A HIS 32.A ND1 SER 59.A OG no hydrogen 3.176 N/A MET 34.A N VAL 196.A O no hydrogen 2.805 N/A ALA 35.A N ARG 60.A O no hydrogen 2.856 N/A SER 36.A N PHE 198.A O no hydrogen 3.315 N/A SER 36.A OG TYR 42.A OH no hydrogen 2.895 N/A VAL 37.A N ALA 62.A O no hydrogen 2.837 N/A CYS 38.A SG TYR 42.A OH no hydrogen 3.550 N/A GLY 39.A N GLU 68.A OE2 no hydrogen 2.771 N/A ALA 41.A N VAL 37.A O no hydrogen 2.935 N/A TYR 42.A N CYS 38.A O no hydrogen 2.991 N/A TYR 42.A OH SER 36.A OG no hydrogen 2.895 N/A GLY 43.A N GLY 39.A O no hydrogen 2.990 N/A HIS 44.A N ALA 41.A O no hydrogen 3.038 N/A HIS 44.A ND1 ALA 41.A O no hydrogen 3.022 N/A HIS 44.A ND1 TYR 42.A O no hydrogen 2.864 N/A GLY 45.A N ASN 40.A O no hydrogen 2.879 N/A ASP 46.A N ASN 40.A OD1 no hydrogen 2.736 N/A VAL 47.A N ASP 46.A OD1 no hydrogen 2.753 N/A GLN 48.A NE2 GLU 344.A OE2 no hydrogen 2.677 N/A VAL 49.A N GLY 45.A O no hydrogen 3.044 N/A ALA 50.A N ASP 46.A O no hydrogen 2.924 N/A ARG 51.A N VAL 47.A O no hydrogen 3.039 N/A THR 52.A N GLN 48.A O no hydrogen 3.215 N/A THR 52.A OG1 GLN 48.A O no hydrogen 2.772 N/A ALA 53.A N VAL 49.A O no hydrogen 2.782 N/A LEU 54.A N ALA 50.A O no hydrogen 2.870 N/A GLU 55.A N ARG 51.A O no hydrogen 2.947 N/A ALA 56.A N ALA 53.A O no hydrogen 3.226 N/A GLY 57.A N LEU 54.A O no hydrogen 3.149 N/A ALA 58.A N ALA 53.A O no hydrogen 2.919 N/A SER 59.A N ILE 33.A O no hydrogen 3.006 N/A SER 59.A OG HIS 32.A ND1 no hydrogen 3.176 N/A LEU 61.A N PRO 80.A O no hydrogen 2.856 N/A ALA 62.A N ALA 35.A O no hydrogen 2.848 N/A VAL 63.A N LEU 82.A O no hydrogen 2.965 N/A ALA 64.A N GLU 68.A OE1 no hydrogen 2.841 N/A GLU 68.A N PHE 65.A O no hydrogen 3.022 N/A LEU 70.A N LEU 66.A O no hydrogen 2.872 N/A ALA 71.A N ASP 67.A O no hydrogen 2.887 N/A LEU 72.A N GLU 68.A O no hydrogen 3.300 N/A ARG 73.A N ALA 69.A O no hydrogen 3.045 N/A ARG 73.A NE GLN 98.A O no hydrogen 2.852 N/A ARG 73.A NH1 ILE 77.A O no hydrogen 2.749 N/A ARG 73.A NH1 ALA 79.A O no hydrogen 2.779 N/A ARG 73.A NH2 ALA 79.A O no hydrogen 2.702 N/A ARG 73.A NH2 ARG 99.A O no hydrogen 3.049 N/A GLU 74.A N LEU 70.A O no hydrogen 2.957 N/A LYS 75.A N ALA 71.A O no hydrogen 3.008 N/A LYS 75.A NZ ASP 46.A OD1 no hydrogen 3.256 N/A LYS 75.A NZ ASP 46.A OD2 no hydrogen 3.486 N/A GLY 76.A N ARG 73.A O no hydrogen 2.940 N/A ILE 77.A N LEU 72.A O no hydrogen 3.065 N/A LEU 82.A N LEU 61.A O no hydrogen 2.776 N/A VAL 83.A N ALA 101.A O no hydrogen 2.830 N/A THR 84.A N VAL 63.A O no hydrogen 2.895 N/A THR 84.A OG1 VAL 63.A O no hydrogen 2.934 N/A ASP 91.A N ARG 88.A O no hydrogen 2.804 N/A ALA 92.A N PRO 89.A O no hydrogen 3.131 N/A ALA 95.A N ASP 91.A O no hydrogen 2.943 N/A ALA 96.A N ALA 92.A O no hydrogen 2.926 N/A GLN 97.A N ALA 93.A O no hydrogen 2.887 N/A GLN 98.A N LEU 94.A O no hydrogen 3.036 N/A ARG 99.A N ALA 96.A O no hydrogen 2.953 N/A ILE 100.A N ALA 95.A O no hydrogen 2.854 N/A ALA 101.A N ILE 81.A O no hydrogen 2.811 N/A LEU 102.A N HIS 124.A O no hydrogen 3.005 N/A THR 103.A N VAL 83.A O no hydrogen 3.190 N/A THR 103.A OG1 VAL 83.A O no hydrogen 2.686 N/A VAL 104.A N HIS 126.A O no hydrogen 2.773 N/A SER 107.A N GLU 140.A OE1 no hydrogen 3.080 N/A TRP 109.A NE1 SER 87.A O no hydrogen 2.494 N/A GLU 111.A N SER 107.A O no hydrogen 2.909 N/A GLU 112.A N ASP 108.A O no hydrogen 3.069 N/A ALA 113.A N TRP 109.A O no hydrogen 2.923 N/A SER 114.A N LEU 110.A O no hydrogen 2.834 N/A ALA 115.A N GLU 111.A O no hydrogen 3.056 N/A LEU 116.A N GLU 112.A O no hydrogen 3.037 N/A TYR 117.A N ALA 113.A O no hydrogen 3.044 N/A TYR 117.A OH PHE 121.A O no hydrogen 2.434 N/A ILE 123.A N HIS 153.A O no hydrogen 2.801 N/A PHE 125.A N VAL 155.A O no hydrogen 2.815 N/A HIS 126.A N LEU 102.A O no hydrogen 2.913 N/A HIS 126.A NE2 GLU 157.A OE1 no hydrogen 2.480 N/A LEU 127.A N GLY 158.A O no hydrogen 2.912 N/A TYR 128.A N VAL 104.A O no hydrogen 3.087 N/A MET 129.A N TRP 160.A O no hydrogen 2.809 N/A ASP 130.A N VAL 135.A O no hydrogen 2.746 N/A THR 131.A OG1 GLN 165.A O no hydrogen 2.903 N/A GLY 132.A N ASP 130.A OD1 no hydrogen 3.247 N/A VAL 135.A N TYR 128.A O no hydrogen 3.145 N/A LYS 136.A N GLU 140.A OE2 no hydrogen 3.297 N/A GLU 140.A N ASP 137.A OD2 no hydrogen 2.801 N/A THR 141.A N ASP 137.A O no hydrogen 3.196 N/A THR 141.A OG1 ASP 137.A O no hydrogen 2.921 N/A LYS 142.A N GLU 138.A O no hydrogen 2.966 N/A LYS 142.A NZ GLU 138.A OE2 no hydrogen 3.009 N/A LYS 142.A NZ TRP 175.A O no hydrogen 3.414 N/A ARG 143.A N GLU 139.A O no hydrogen 3.060 N/A ILE 144.A N GLU 140.A O no hydrogen 3.046 N/A VAL 145.A N THR 141.A O no hydrogen 2.925 N/A ALA 146.A N LYS 142.A O no hydrogen 2.830 N/A LEU 147.A N ARG 143.A O no hydrogen 2.888 N/A ILE 148.A N ILE 144.A O no hydrogen 3.000 N/A GLU 149.A N VAL 145.A O no hydrogen 3.016 N/A ARG 150.A N ALA 146.A O no hydrogen 2.856 N/A HIS 151.A N LEU 147.A O no hydrogen 3.093 N/A HIS 151.A NE2 TYR 117.A O no hydrogen 2.613 N/A HIS 153.A N HIS 151.A ND1 no hydrogen 3.175 N/A PHE 154.A N HIS 151.A O no hydrogen 3.371 N/A VAL 155.A N ILE 123.A O no hydrogen 2.959 N/A GLU 157.A N PHE 125.A O no hydrogen 2.736 N/A GLY 158.A N PHE 125.A O no hydrogen 3.240 N/A LEU 159.A N LEU 182.A O no hydrogen 2.876 N/A TRP 160.A N LEU 127.A O no hydrogen 2.868 N/A THR 161.A OG1 MET 129.A O no hydrogen 2.690 N/A THR 167.A OG1 TYR 164.A O no hydrogen 3.126 N/A ARG 168.A N TYR 164.A O no hydrogen 2.946 N/A ARG 168.A NH1 LYS 136.A O no hydrogen 3.536 N/A PHE 169.A N GLN 165.A O no hydrogen 2.835 N/A LEU 170.A N TYR 166.A O no hydrogen 2.896 N/A HIS 171.A N THR 167.A O no hydrogen 3.022 N/A HIS 171.A ND1 THR 167.A O no hydrogen 3.124 N/A MET 172.A N ARG 168.A O no hydrogen 3.002 N/A LEU 173.A N PHE 169.A O no hydrogen 2.914 N/A GLU 174.A N LEU 170.A O no hydrogen 3.269 N/A GLU 174.A N HIS 171.A O no hydrogen 2.914 N/A TRP 175.A N MET 172.A O no hydrogen 3.068 N/A LEU 176.A N LEU 173.A O no hydrogen 3.347 N/A LEU 182.A N GLU 157.A O no hydrogen 3.005 N/A VAL 183.A N ASN 194.A OD1 no hydrogen 2.959 N/A PHE 184.A N LEU 159.A O no hydrogen 3.159 N/A ALA 186.A N THR 161.A O no hydrogen 2.797 N/A ASN 194.A N VAL 183.A O no hydrogen 2.988 N/A ASN 194.A ND2 PRO 181.A O no hydrogen 2.940 N/A VAL 196.A N HIS 32.A O no hydrogen 2.929 N/A PHE 198.A N MET 34.A O no hydrogen 2.969 N/A MET 202.A N GLY 199.A O no hydrogen 3.241 N/A TYR 203.A N ILE 200.A O no hydrogen 3.109 N/A TYR 203.A OH SER 36.A O no hydrogen 2.881 N/A GLY 204.A N ALA 201.A O no hydrogen 3.057 N/A LYS 210.A N ASN 19.A OD1 no hydrogen 2.915 N/A LYS 210.A NZ ASP 18.A OD2 no hydrogen 2.621 N/A SER 214.A N GLU 10.A O no hydrogen 2.824 N/A SER 214.A OG ILE 300.A O no hydrogen 3.531 N/A LEU 215.A N ILE 300.A O no hydrogen 2.943 N/A HIS 216.A N TRP 8.A O no hydrogen 2.879 N/A HIS 216.A ND1 THR 298.A OG1 no hydrogen 2.821 N/A SER 217.A N VAL 297.A O no hydrogen 2.708 N/A SER 217.A OG ASP 6.A O no hydrogen 2.926 N/A SER 217.A OG THR 7.A OG1 no hydrogen 2.853 N/A ARG 218.A NH1 GLY 294.A O no hydrogen 2.682 N/A LEU 219.A N THR 295.A O no hydrogen 2.908 N/A VAL 220.A N THR 247.A O no hydrogen 2.833 N/A LYS 223.A N ILE 245.A O no hydrogen 2.814 N/A LEU 225.A N GLU 243.A O no hydrogen 2.684 N/A GLN 226.A N GLU 229.A OE2 no hydrogen 3.086 N/A GLN 226.A NE2 GLU 242.A OE1 no hydrogen 3.330 N/A GLY 228.A N ALA 239.A O no hydrogen 2.798 N/A GLU 229.A N GLN 226.A O no hydrogen 2.868 N/A LYS 230.A NZ THR 238.A OG1 no hydrogen 2.795 N/A VAL 231.A N TYR 237.A O no hydrogen 2.927 N/A TYR 237.A N VAL 231.A O no hydrogen 2.862 N/A TYR 237.A OH GLU 243.A OE1 no hydrogen 2.433 N/A ALA 239.A N GLU 229.A O no hydrogen 2.953 N/A GLU 243.A N LEU 225.A O no hydrogen 3.014 N/A ILE 245.A N LYS 223.A O no hydrogen 2.774 N/A GLY 246.A N ILE 285.A O no hydrogen 2.984 N/A THR 247.A N HIS 221.A O no hydrogen 2.888 N/A ILE 248.A N CYS 283.A O no hydrogen 2.990 N/A ILE 250.A N ILE 248.A O no hydrogen 2.931 N/A GLY 251.A N ASP 254.A OD1 no hydrogen 2.774 N/A TYR 252.A N LEU 279.A O no hydrogen 3.092 N/A LYS 253.A N MET 280.A O no hydrogen 3.058 N/A LYS 253.A NZ LYS 253.A O no hydrogen 2.947 N/A ASP 254.A N GLY 251.A O no hydrogen 2.968 N/A GLY 255.A N TYR 252.A O no hydrogen 3.049 N/A TRP 256.A N GLY 251.A O no hydrogen 3.205 N/A LEU 260.A N LEU 257.A O no hydrogen 2.815 N/A GLN 261.A N ARG 258.A O no hydrogen 3.130 N/A HIS 262.A N ILE 274.A O no hydrogen 2.851 N/A PHE 263.A N LEU 260.A O no hydrogen 3.168 N/A VAL 265.A N ALA 272.A O no hydrogen 2.895 N/A LEU 266.A N THR 298.A O no hydrogen 3.014 N/A VAL 267.A N GLN 270.A O no hydrogen 2.990 N/A GLN 270.A N VAL 267.A O no hydrogen 3.059 N/A ALA 272.A N VAL 265.A O no hydrogen 2.861 N/A ILE 274.A N PHE 263.A O no hydrogen 2.855 N/A VAL 275.A N MET 284.A O no hydrogen 2.742 N/A CYS 283.A N ILE 248.A O no hydrogen 3.115 N/A CYS 283.A SG ILE 250.A O no hydrogen 3.749 N/A ILE 285.A N GLY 246.A O no hydrogen 2.873 N/A ARG 286.A N PRO 273.A O no hydrogen 3.083 N/A ARG 286.A NE TYR 237.A OH no hydrogen 3.101 N/A ARG 286.A NH2 TYR 237.A OH no hydrogen 2.956 N/A LEU 287.A N TRP 244.A O no hydrogen 2.733 N/A GLY 294.A N LEU 219.A O no hydrogen 2.809 N/A THR 295.A N PRO 292.A O no hydrogen 3.336 N/A THR 295.A OG1 PRO 292.A O no hydrogen 2.561 N/A VAL 297.A N SER 217.A O no hydrogen 2.642 N/A THR 298.A N LEU 266.A O no hydrogen 2.762 N/A THR 298.A OG1 HIS 216.A ND1 no hydrogen 2.821 N/A THR 298.A OG1 GLN 303.A OE1 no hydrogen 3.353 N/A LEU 299.A N LEU 215.A O no hydrogen 2.767 N/A ILE 300.A N LEU 215.A O no hydrogen 3.181 N/A GLY 301.A N ILE 308.A O no hydrogen 2.849 N/A GLN 303.A N LYS 306.A O no hydrogen 2.989 N/A ILE 308.A N GLY 301.A O no hydrogen 2.878 N/A SER 309.A N ASP 312.A OD1 no hydrogen 2.794 N/A SER 309.A OG ASP 312.A OD1 no hydrogen 2.995 N/A ILE 310.A N GLU 211.A OE2 no hydrogen 2.952 N/A VAL 313.A N SER 309.A O no hydrogen 3.357 N/A ALA 314.A N ILE 310.A O no hydrogen 2.906 N/A ARG 315.A N ASP 311.A O no hydrogen 2.937 N/A ARG 315.A NH1 ASP 312.A OD2 no hydrogen 3.282 N/A ARG 315.A NH2 ASP 312.A OD2 no hydrogen 3.348 N/A HIS 316.A N ASP 312.A O no hydrogen 3.179 N/A LEU 317.A N VAL 313.A O no hydrogen 2.998 N/A GLU 318.A N ARG 315.A O no hydrogen 3.035 N/A THR 319.A N ALA 314.A O no hydrogen 2.958 N/A ASN 321.A ND2 ASP 311.A OD1 no hydrogen 3.018 N/A GLU 323.A N ILE 320.A O no hydrogen 3.201 N/A VAL 324.A N ASN 321.A O no hydrogen 3.217 N/A CYS 326.A SG TYR 322.A O no hydrogen 3.402 N/A THR 327.A N VAL 324.A O no hydrogen 3.147 N/A THR 327.A OG1 GLU 323.A O no hydrogen 2.475 N/A SER 329.A N ASP 254.A O no hydrogen 2.866 N/A SER 329.A OG LYS 253.A O no hydrogen 3.475 N/A ARG 331.A N SER 329.A OG no hydrogen 3.273 N/A ARG 331.A NH1 ASP 254.A OD2 no hydrogen 2.683 N/A ARG 331.A NH1 ASP 281.A OD1 no hydrogen 3.144 N/A ARG 331.A NH2 ASP 281.A OD1 no hydrogen 2.927 N/A VAL 332.A N SER 329.A O no hydrogen 2.898 N/A ARG 334.A N ARG 346.A O no hydrogen 3.020 N/A ARG 334.A NE GLY 43.A O no hydrogen 2.949 N/A ARG 334.A NH1 SER 329.A O no hydrogen 2.816 N/A ARG 334.A NH1 VAL 332.A O no hydrogen 2.715 N/A ARG 334.A NH2 GLY 43.A O no hydrogen 2.976 N/A ARG 334.A NH2 ILE 328.A O no hydrogen 2.957 N/A ILE 335.A N ALA 9.A O no hydrogen 2.804 N/A PHE 336.A N GLU 344.A O no hydrogen 2.838 N/A PHE 337.A N VAL 11.A O no hydrogen 2.896 N/A ARG 338.A N ARG 341.A O no hydrogen 2.796 N/A ARG 338.A NH1 ASP 14.A OD1 no hydrogen 2.797 N/A ARG 338.A NH2 GLU 55.A OE1 no hydrogen 3.457 N/A HIS 339.A N ASP 14.A OD1 no hydrogen 2.780 N/A LYS 340.A N ASP 14.A OD2 no hydrogen 2.845 N/A ARG 341.A N ARG 338.A O no hydrogen 3.355 N/A MET 343.A N PHE 336.A O no hydrogen 2.732 N/A GLU 344.A N PHE 336.A O no hydrogen 3.408 N/A ARG 346.A N ARG 334.A O no hydrogen 2.922 N/A ARG 346.A NH1 ASN 40.A OD1 no hydrogen 3.082 N/A ARG 346.A NH2 ASN 40.A OD1 no hydrogen 3.477 N/A ARG 346.A NH2 ASP 46.A OD1 no hydrogen 2.744 N/A ARG 346.A NH2 GLN 48.A OE1 no hydrogen 2.667 N/A ASN 347.A ND2 ASP 2.A O no hydrogen 3.033 N/A ILE 349.A N ASN 347.A OD1 no hydrogen 3.300 N/A