Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4r8u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 ARG 232.A O no hydrogen 3.145 N/A LYS 3.A N THR 110.A OG1 no hydrogen 2.911 N/A LYS 3.A NZ GLY 117.A O no hydrogen 2.817 N/A ILE 4.A N ALA 143.A O no hydrogen 2.888 N/A ILE 5.A N LEU 107.A O no hydrogen 2.844 N/A HIS 6.A N GLY 141.A O no hydrogen 2.763 N/A HIS 6.A ND1 SER 153.A OG no hydrogen 2.812 N/A HIS 6.A NE2 GLU 104.A OE2 no hydrogen 3.084 N/A VAL 7.A N ALA 105.A O no hydrogen 2.996 N/A ASP 8.A N SER 139.A O no hydrogen 2.814 N/A MET 9.A N ASP 103.A O no hydrogen 3.185 N/A ASP 10.A N THR 137.A O no hydrogen 3.022 N/A CYS 11.A SG ALA 44.A O no hydrogen 3.531 N/A ALA 15.A N CYS 11.A O no hydrogen 2.626 N/A VAL 16.A N PHE 12.A O no hydrogen 3.099 N/A GLU 17.A N PHE 13.A O no hydrogen 3.288 N/A MET 18.A N ALA 14.A O no hydrogen 2.863 N/A ARG 19.A N ALA 15.A O no hydrogen 2.980 N/A ASP 20.A N VAL 16.A O no hydrogen 3.042 N/A ASN 21.A N GLU 17.A O no hydrogen 2.850 N/A LEU 24.A N ASN 21.A O no hydrogen 2.922 N/A ARG 25.A N PRO 22.A O no hydrogen 2.847 N/A ILE 29.A N ASN 45.A OD1 no hydrogen 2.955 N/A ALA 30.A N THR 70.A O no hydrogen 2.943 N/A ILE 31.A N THR 43.A O no hydrogen 2.859 N/A GLY 32.A N LEU 72.A O no hydrogen 3.118 N/A GLY 33.A N VAL 40.A O no hydrogen 3.329 N/A SER 34.A OG GLU 36.A OE1 no hydrogen 3.209 N/A ARG 37.A N SER 34.A OG no hydrogen 3.190 N/A ARG 38.A N ARG 35.A O no hydrogen 3.259 N/A ARG 38.A NH1 MET 249.A O no hydrogen 2.605 N/A ARG 38.A NH1 ASP 252.A OD1 no hydrogen 2.940 N/A ARG 38.A NH2 ASP 252.A OD1 no hydrogen 2.363 N/A GLY 39.A N SER 34.A O no hydrogen 2.735 N/A ILE 41.A N MET 57.A O no hydrogen 2.738 N/A SER 42.A N ILE 31.A O no hydrogen 2.649 N/A THR 43.A N ILE 31.A O no hydrogen 3.336 N/A ASN 45.A N ILE 29.A O no hydrogen 3.016 N/A ASN 45.A ND2 ILE 27.A O no hydrogen 2.802 N/A ALA 48.A N ASN 45.A OD1 no hydrogen 3.033 N/A ARG 49.A N ASN 45.A O no hydrogen 2.936 N/A ARG 49.A NE ALA 44.A O no hydrogen 3.025 N/A ARG 49.A NH2 THR 43.A OG1 no hydrogen 3.168 N/A ARG 49.A NH2 ALA 44.A O no hydrogen 3.357 N/A LYS 50.A N TYR 46.A O no hydrogen 3.031 N/A LYS 50.A NZ PRO 47.A O no hydrogen 3.218 N/A PHE 51.A N ALA 48.A O no hydrogen 2.991 N/A GLY 52.A N ARG 49.A O no hydrogen 2.813 N/A ARG 54.A NH1 ARG 49.A O no hydrogen 2.966 N/A ARG 54.A NH1 VAL 53.A O no hydrogen 3.041 N/A SER 55.A OG SER 42.A O no hydrogen 2.452 N/A ALA 56.A N ILE 41.A O no hydrogen 2.744 N/A MET 57.A N ARG 54.A O no hydrogen 3.363 N/A THR 59.A N GLY 39.A O no hydrogen 3.079 N/A THR 59.A OG1 GLY 33.A O no hydrogen 2.681 N/A MET 61.A N PRO 58.A O no hydrogen 2.814 N/A ALA 62.A N PRO 58.A O no hydrogen 3.077 N/A LEU 63.A N THR 59.A O no hydrogen 3.003 N/A LYS 64.A N GLY 60.A O no hydrogen 3.284 N/A LEU 65.A N MET 61.A O no hydrogen 3.076 N/A CYS 66.A N ALA 62.A O no hydrogen 2.804 N/A LEU 69.A N CYS 66.A O no hydrogen 2.807 N/A THR 70.A N PRO 28.A O no hydrogen 3.103 N/A LEU 72.A N ALA 30.A O no hydrogen 2.820 N/A ARG 75.A N TYR 79.A OH no hydrogen 3.165 N/A ARG 75.A NH1 GLU 17.A OE1 no hydrogen 2.975 N/A ARG 75.A NH1 GLU 17.A OE2 no hydrogen 3.261 N/A ARG 75.A NH1 ASP 20.A OD2 no hydrogen 3.302 N/A ARG 75.A NH2 ASP 20.A OD2 no hydrogen 3.040 N/A TYR 79.A N ARG 75.A O no hydrogen 3.276 N/A TYR 79.A OH GLU 17.A OE2 no hydrogen 2.708 N/A LYS 80.A N PHE 76.A O no hydrogen 2.728 N/A GLU 81.A N ASP 77.A O no hydrogen 2.960 N/A ALA 82.A N ALA 78.A O no hydrogen 3.192 N/A SER 83.A N TYR 79.A O no hydrogen 2.961 N/A SER 83.A OG LEU 102.A O no hydrogen 2.883 N/A ASN 84.A N LYS 80.A O no hydrogen 2.917 N/A HIS 85.A N GLU 81.A O no hydrogen 3.179 N/A HIS 85.A NE2 GLU 133.A OE1 no hydrogen 2.835 N/A ILE 86.A N ALA 82.A O no hydrogen 3.019 N/A ARG 87.A N SER 83.A O no hydrogen 2.899 N/A ARG 87.A NH2 SER 101.A O no hydrogen 2.827 N/A GLU 88.A N ASN 84.A O no hydrogen 2.855 N/A ILE 89.A N HIS 85.A O no hydrogen 2.911 N/A PHE 90.A N ILE 86.A O no hydrogen 2.938 N/A SER 91.A N ARG 87.A O no hydrogen 3.151 N/A SER 91.A OG GLU 88.A O no hydrogen 2.511 N/A ARG 92.A N ILE 89.A O no hydrogen 3.052 N/A ARG 92.A NE GLU 88.A OE2 no hydrogen 3.077 N/A ARG 92.A NH1 GLU 133.A OE2 no hydrogen 2.707 N/A ARG 92.A NH2 GLU 88.A OE1 no hydrogen 2.907 N/A ARG 92.A NH2 GLU 88.A OE2 no hydrogen 3.530 N/A ARG 92.A NH2 GLU 133.A OE1 no hydrogen 2.865 N/A ARG 92.A NH2 GLU 133.A OE2 no hydrogen 3.494 N/A TYR 93.A N PHE 90.A O no hydrogen 2.916 N/A TYR 93.A OH GLU 125.A OE2 no hydrogen 2.591 N/A THR 94.A N PHE 90.A O no hydrogen 3.270 N/A THR 94.A OG1 ASP 108.A O no hydrogen 3.373 N/A ARG 96.A N THR 94.A OG1 no hydrogen 2.894 N/A ARG 96.A NH2 VAL 234.A O no hydrogen 3.561 N/A GLU 98.A N TYR 106.A O no hydrogen 2.981 N/A LEU 100.A N GLU 104.A O no hydrogen 3.028 N/A ALA 105.A N VAL 7.A O no hydrogen 3.228 N/A TYR 106.A N GLU 98.A O no hydrogen 2.946 N/A LEU 107.A N ILE 5.A O no hydrogen 2.680 N/A ASP 108.A N ARG 96.A O no hydrogen 3.103 N/A VAL 109.A N LYS 3.A O no hydrogen 2.962 N/A THR 110.A N ASP 108.A OD1 no hydrogen 3.148 N/A THR 110.A OG1 ASP 108.A OD1 no hydrogen 2.644 N/A SER 112.A N VAL 109.A O no hydrogen 2.992 N/A SER 112.A OG TYR 93.A O no hydrogen 3.153 N/A CYS 115.A SG GLU 125.A OE1 no hydrogen 3.428 N/A GLY 117.A N HIS 114.A O no hydrogen 2.894 N/A SER 118.A N CYS 115.A O no hydrogen 2.694 N/A LEU 121.A N SER 118.A OG no hydrogen 2.798 N/A ILE 122.A N SER 118.A O no hydrogen 2.943 N/A ALA 123.A N ALA 119.A O no hydrogen 3.152 N/A GLN 124.A N THR 120.A O no hydrogen 3.208 N/A GLU 125.A N LEU 121.A O no hydrogen 3.013 N/A ILE 126.A N ILE 122.A O no hydrogen 3.010 N/A ARG 127.A N ALA 123.A O no hydrogen 3.059 N/A ARG 127.A NE ALA 138.A O no hydrogen 2.906 N/A ARG 127.A NH1 GLN 161.A OE1 no hydrogen 3.040 N/A ARG 127.A NH2 ASN 159.A OD1 no hydrogen 2.963 N/A GLN 128.A N GLN 124.A O no hydrogen 2.983 N/A GLN 128.A NE2 ASN 132.A OD1 no hydrogen 2.998 N/A THR 129.A N GLU 125.A O no hydrogen 2.843 N/A THR 129.A OG1 GLU 125.A O no hydrogen 2.619 N/A ILE 130.A N ILE 126.A O no hydrogen 2.901 N/A PHE 131.A N ARG 127.A O no hydrogen 3.034 N/A ASN 132.A N GLN 128.A O no hydrogen 2.745 N/A GLU 133.A N THR 129.A O no hydrogen 2.739 N/A LEU 134.A N ILE 130.A O no hydrogen 2.866 N/A GLN 135.A N PHE 131.A O no hydrogen 2.818 N/A GLN 135.A NE2 ASN 132.A O no hydrogen 3.407 N/A THR 137.A OG1 ASP 10.A OD2 no hydrogen 2.514 N/A SER 139.A N ASP 8.A O no hydrogen 2.705 N/A SER 139.A OG ASP 10.A OD1 no hydrogen 2.766 N/A ALA 140.A N GLY 160.A O no hydrogen 3.085 N/A GLY 141.A N HIS 6.A O no hydrogen 2.774 N/A VAL 142.A N PHE 162.A O no hydrogen 3.029 N/A ALA 143.A N ILE 4.A O no hydrogen 2.983 N/A LYS 146.A NZ GLU 98.A OE1 no hydrogen 2.746 N/A LYS 146.A NZ GLU 98.A OE2 no hydrogen 3.026 N/A PHE 147.A N ASP 230.A OD2 no hydrogen 3.033 N/A ALA 149.A N VAL 145.A O no hydrogen 3.102 N/A LYS 150.A N LYS 146.A O no hydrogen 2.990 N/A LYS 150.A NZ GLU 104.A OE2 no hydrogen 3.222 N/A ILE 151.A N PHE 147.A O no hydrogen 2.969 N/A ALA 152.A N LEU 148.A O no hydrogen 2.943 N/A SER 153.A N ALA 149.A O no hydrogen 3.135 N/A SER 153.A OG HIS 6.A ND1 no hydrogen 2.812 N/A SER 153.A OG LYS 150.A O no hydrogen 2.911 N/A ASP 154.A N ILE 151.A O no hydrogen 3.207 N/A MET 155.A N ALA 152.A O no hydrogen 2.940 N/A ASN 156.A ND2 GLN 161.A O no hydrogen 2.892 N/A LYS 157.A N ASP 154.A O no hydrogen 3.435 N/A LYS 157.A NZ ASP 8.A O no hydrogen 3.407 N/A LYS 157.A NZ MET 9.A O no hydrogen 3.570 N/A LYS 157.A NZ ASP 10.A OD1 no hydrogen 3.046 N/A ASN 159.A N ASP 10.A OD2 no hydrogen 2.713 N/A GLN 161.A NE2 THR 120.A O no hydrogen 3.068 N/A PHE 162.A N ALA 140.A O no hydrogen 3.125 N/A ILE 164.A N VAL 142.A O no hydrogen 2.704 N/A THR 165.A N GLU 168.A OE2 no hydrogen 2.953 N/A GLU 168.A N THR 165.A O no hydrogen 2.844 N/A VAL 169.A N PRO 166.A O no hydrogen 3.266 N/A PHE 172.A N GLU 168.A O no hydrogen 3.101 N/A LEU 173.A N VAL 169.A O no hydrogen 2.876 N/A GLN 174.A N PRO 170.A O no hydrogen 3.193 N/A GLN 174.A N ALA 171.A O no hydrogen 3.246 N/A LEU 176.A N LEU 173.A O no hydrogen 3.108 N/A LEU 178.A N ARG 198.A O no hydrogen 2.825 N/A LYS 180.A N PRO 177.A O no hydrogen 3.080 N/A ILE 181.A N LEU 178.A O no hydrogen 2.839 N/A VAL 184.A N ILE 181.A O no hydrogen 2.879 N/A ALA 189.A N GLY 185.A O no hydrogen 2.792 N/A ALA 190.A N LYS 186.A O no hydrogen 3.019 N/A LYS 191.A N VAL 187.A O no hydrogen 3.075 N/A LEU 192.A N SER 188.A O no hydrogen 2.832 N/A GLU 193.A N ALA 189.A O no hydrogen 2.746 N/A ALA 194.A N ALA 190.A O no hydrogen 3.021 N/A MET 195.A N LEU 192.A O no hydrogen 2.737 N/A GLY 196.A N GLU 193.A O no hydrogen 2.972 N/A LEU 197.A N LEU 192.A O no hydrogen 3.134 N/A ARG 198.A N ASP 202.A OD2 no hydrogen 2.710 N/A THR 199.A N ASP 202.A OD2 no hydrogen 3.083 N/A THR 199.A OG1 GLN 174.A O no hydrogen 3.555 N/A CYS 200.A N LEU 176.A O no hydrogen 2.855 N/A CYS 200.A SG LEU 176.A O no hydrogen 3.740 N/A ASP 202.A N THR 199.A OG1 no hydrogen 3.149 N/A VAL 203.A N THR 199.A O no hydrogen 3.250 N/A VAL 203.A N CYS 200.A O no hydrogen 2.978 N/A GLN 204.A N CYS 200.A O no hydrogen 3.065 N/A GLN 204.A NE2 SER 226.A O no hydrogen 2.785 N/A CYS 206.A N VAL 203.A O no hydrogen 3.048 N/A CYS 206.A SG ASP 202.A O no hydrogen 3.821 N/A VAL 209.A N ASP 207.A OD1 no hydrogen 2.742 N/A LEU 211.A N ASP 207.A O no hydrogen 3.037 N/A LEU 212.A N LEU 208.A O no hydrogen 2.772 N/A LYS 213.A N VAL 209.A O no hydrogen 2.842 N/A ARG 214.A N MET 210.A O no hydrogen 3.055 N/A PHE 215.A N LEU 211.A O no hydrogen 2.940 N/A GLY 216.A N LEU 212.A O no hydrogen 2.716 N/A GLY 219.A N GLY 216.A O no hydrogen 2.753 N/A ILE 221.A N LYS 217.A O no hydrogen 3.290 N/A LEU 222.A N PHE 218.A O no hydrogen 2.994 N/A TRP 223.A N GLY 219.A O no hydrogen 3.068 N/A GLU 224.A N ARG 220.A O no hydrogen 2.954 N/A ARG 225.A N ILE 221.A O no hydrogen 2.867 N/A ARG 225.A NH1 GLU 224.A OE1 no hydrogen 3.439 N/A ARG 225.A NH1 ILE 229.A O no hydrogen 2.885 N/A SER 226.A N LEU 222.A O no hydrogen 3.045 N/A SER 226.A OG LEU 222.A O no hydrogen 2.958 N/A GLN 227.A N GLU 224.A O no hydrogen 2.731 N/A GLY 228.A N ARG 225.A O no hydrogen 2.679 N/A ILE 229.A N GLU 224.A O no hydrogen 2.871 N/A ARG 232.A N ASP 230.A OD1 no hydrogen 3.388 N/A ARG 232.A NH1 ASP 230.A OD1 no hydrogen 3.143 N/A ASN 235.A N GLU 98.A OE1 no hydrogen 2.718 N/A GLU 237.A N ASN 235.A OD1 no hydrogen 3.290 N/A ARG 238.A NH1 GLU 98.A OE2 no hydrogen 3.204 N/A VAL 243.A N VAL 336.A O no hydrogen 3.160 N/A VAL 245.A N LEU 334.A O no hydrogen 2.963 N/A ARG 247.A N VAL 332.A O no hydrogen 2.937 N/A MET 249.A N ARG 330.A O no hydrogen 2.914 N/A ILE 253.A N VAL 329.A O no hydrogen 2.936 N/A HIS 254.A N GLU 258.A OE1 no hydrogen 2.792 N/A HIS 255.A N GLU 258.A OE1 no hydrogen 2.815 N/A GLU 258.A N HIS 255.A O no hydrogen 2.988 N/A CYS 259.A N HIS 255.A O no hydrogen 3.333 N/A GLU 260.A N TRP 256.A O no hydrogen 2.968 N/A ALA 261.A N SER 257.A O no hydrogen 3.109 N/A ILE 262.A N GLU 258.A O no hydrogen 3.095 N/A ILE 263.A N CYS 259.A O no hydrogen 3.003 N/A GLU 264.A N GLU 260.A O no hydrogen 2.962 N/A ARG 265.A N ALA 261.A O no hydrogen 3.336 N/A ARG 265.A N ILE 262.A O no hydrogen 2.973 N/A LEU 266.A N ILE 262.A O no hydrogen 2.980 N/A TYR 267.A N ILE 263.A O no hydrogen 2.820 N/A GLU 269.A N LEU 266.A O no hydrogen 2.876 N/A LEU 270.A N LEU 266.A O no hydrogen 3.159 N/A GLU 271.A N TYR 267.A O no hydrogen 2.941 N/A ARG 272.A N PRO 268.A O no hydrogen 2.915 N/A ARG 272.A NH2 GLU 269.A OE1 no hydrogen 2.946 N/A ARG 273.A N GLU 269.A O no hydrogen 3.106 N/A ARG 273.A NH1 GLY 244.A O no hydrogen 3.143 N/A LEU 274.A N LEU 270.A O no hydrogen 2.975 N/A ALA 275.A N GLU 271.A O no hydrogen 3.029 N/A LYS 276.A N ARG 273.A O no hydrogen 3.036 N/A VAL 277.A N LEU 274.A O no hydrogen 3.085 N/A LYS 278.A N LEU 274.A O no hydrogen 2.790 N/A LEU 281.A N LYS 278.A O no hydrogen 2.712 N/A LEU 282.A N ASP 280.A OD1 no hydrogen 3.129 N/A ILE 283.A N PRO 305.A O no hydrogen 3.243 N/A ALA 284.A N THR 337.A O no hydrogen 2.729 N/A ARG 285.A N THR 337.A O no hydrogen 3.182 N/A GLN 286.A N HIS 302.A O no hydrogen 3.151 N/A GLN 286.A NE2 ASN 308.A O no hydrogen 3.284 N/A GLN 286.A NE2 ASP 311.A OD2 no hydrogen 2.636 N/A GLY 287.A N HIS 335.A O no hydrogen 2.828 N/A VAL 288.A N GLN 300.A O no hydrogen 2.815 N/A LYS 289.A N GLY 333.A O no hydrogen 2.803 N/A LYS 289.A NZ GLU 246.A OE1 no hydrogen 2.484 N/A LEU 290.A N THR 298.A O no hydrogen 3.029 N/A LYS 291.A N LEU 331.A O no hydrogen 2.926 N/A LYS 291.A NZ PHE 295.A O no hydrogen 3.515 N/A PHE 292.A N GLN 296.A O no hydrogen 3.104 N/A ASP 293.A N GLY 328.A O no hydrogen 2.759 N/A PHE 295.A N PHE 292.A O no hydrogen 3.032 N/A THR 298.A N LEU 290.A O no hydrogen 3.121 N/A GLN 300.A N VAL 288.A O no hydrogen 3.009 N/A HIS 302.A N GLN 286.A O no hydrogen 3.033 N/A HIS 302.A NE2 ASP 311.A OD2 no hydrogen 2.877 N/A TRP 304.A N ALA 284.A O no hydrogen 3.049 N/A LEU 307.A N LEU 281.A O no hydrogen 3.110 N/A ASN 308.A N GLN 286.A OE1 no hydrogen 3.020 N/A LYS 309.A NZ GLU 264.A OE1 no hydrogen 2.614 N/A ASP 311.A N ASN 308.A OD1 no hydrogen 2.661 N/A LEU 312.A N ASN 308.A O no hydrogen 3.319 N/A ILE 313.A N LYS 309.A O no hydrogen 2.947 N/A ALA 314.A N ALA 310.A O no hydrogen 2.695 N/A THR 315.A N ASP 311.A O no hydrogen 2.805 N/A THR 315.A OG1 ASP 311.A O no hydrogen 2.749 N/A ALA 316.A N LEU 312.A O no hydrogen 2.829 N/A ARG 317.A N ILE 313.A O no hydrogen 2.901 N/A LYS 318.A N ALA 314.A O no hydrogen 3.162 N/A THR 319.A N THR 315.A O no hydrogen 3.017 N/A THR 319.A OG1 GLN 300.A OE1 no hydrogen 2.815 N/A THR 319.A OG1 THR 315.A O no hydrogen 3.102 N/A TRP 320.A N ALA 316.A O no hydrogen 2.743 N/A ASP 321.A N ARG 317.A O no hydrogen 2.825 N/A GLU 322.A N LYS 318.A O no hydrogen 2.826 N/A ARG 323.A N THR 319.A O no hydrogen 2.983 N/A ARG 324.A NH1 ARG 327.A O no hydrogen 2.750 N/A ARG 327.A N ARG 324.A O no hydrogen 3.409 N/A ARG 327.A NE ARG 324.A O no hydrogen 2.964 N/A ARG 327.A NH1 ASP 294.A OD1 no hydrogen 3.125 N/A ARG 327.A NH1 ASP 294.A OD2 no hydrogen 3.145 N/A ARG 327.A NH2 ARG 323.A O no hydrogen 2.835 N/A ARG 327.A NH2 ARG 324.A O no hydrogen 3.402 N/A GLY 328.A N ASP 293.A OD2 no hydrogen 2.854 N/A VAL 329.A N ILE 253.A O no hydrogen 2.994 N/A ARG 330.A N LYS 291.A O no hydrogen 2.598 N/A LEU 331.A N LYS 291.A O no hydrogen 3.089 N/A VAL 332.A N ARG 247.A O no hydrogen 3.085 N/A GLY 333.A N LYS 289.A O no hydrogen 2.935 N/A LEU 334.A N VAL 245.A O no hydrogen 2.802 N/A HIS 335.A N GLY 287.A O no hydrogen 2.962 N/A HIS 335.A ND1 GLU 301.A OE1 no hydrogen 2.752 N/A VAL 336.A N VAL 243.A O no hydrogen 2.987 N/A THR 337.A N ARG 285.A O no hydrogen 2.799 N/A THR 337.A OG1 GLU 301.A OE1 no hydrogen 2.868 N/A LEU 338.A N LYS 241.A O no hydrogen 2.874 N/A