Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b0u_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N ASP 2.A OD2 no hydrogen 3.148 N/A ARG 4.A NE ASP 2.A OD1 no hydrogen 3.437 N/A ARG 4.A NE ASP 2.A OD2 no hydrogen 3.107 N/A ARG 4.A NH1 ASP 2.A OD1 no hydrogen 2.819 N/A SER 6.A N VAL 221.A O no hydrogen 3.050 N/A VAL 7.A N ARG 30.A O no hydrogen 2.891 N/A ALA 8.A N LEU 223.A O no hydrogen 2.834 N/A MET 10.A N THR 14.A OG1 no hydrogen 2.892 N/A ASP 12.A N GLU 34.A OE2 no hydrogen 2.778 N/A ARG 13.A N MET 10.A O no hydrogen 2.856 N/A ARG 13.A NH2 ASP 12.A O no hydrogen 3.362 N/A THR 14.A N MET 10.A O no hydrogen 2.877 N/A THR 14.A OG1 MET 10.A O no hydrogen 3.229 N/A THR 14.A OG1 TYR 32.A O no hydrogen 3.411 N/A ARG 16.A NH1 GLU 264.A OE1 no hydrogen 2.959 N/A ARG 16.A NH1 GLU 264.A OE2 no hydrogen 3.129 N/A ARG 16.A NH2 GLU 264.A OE1 no hydrogen 3.199 N/A HIS 17.A N ASP 15.A OD1 no hydrogen 2.960 N/A HIS 17.A ND1 TYR 260.A OH no hydrogen 2.772 N/A PHE 18.A N ASP 15.A OD1 no hydrogen 3.204 N/A ARG 19.A N ASP 15.A O no hydrogen 3.018 N/A ARG 19.A NE GLU 56.A OE2 no hydrogen 2.771 N/A ARG 19.A NH1 THR 14.A O no hydrogen 2.880 N/A ARG 19.A NH2 GLU 56.A OE2 no hydrogen 2.955 N/A PHE 20.A N ARG 16.A O no hydrogen 2.994 N/A LEU 21.A N HIS 17.A O no hydrogen 3.155 N/A VAL 22.A N PHE 18.A O no hydrogen 2.885 N/A ARG 23.A N ARG 19.A O no hydrogen 2.980 N/A ARG 23.A NE GLU 55.A O no hydrogen 3.015 N/A ARG 23.A NH1 VAL 29.A O no hydrogen 3.031 N/A ARG 23.A NH1 GLU 56.A O no hydrogen 2.875 N/A ARG 23.A NH2 SER 26.A O no hydrogen 2.773 N/A ARG 23.A NH2 VAL 29.A O no hydrogen 2.761 N/A GLN 24.A N PHE 20.A O no hydrogen 3.271 N/A GLN 24.A N LEU 21.A O no hydrogen 2.991 N/A GLN 24.A NE2 PHE 20.A O no hydrogen 2.966 N/A VAL 25.A N VAL 22.A O no hydrogen 2.847 N/A SER 26.A N VAL 22.A O no hydrogen 2.981 N/A SER 26.A OG ASP 238.A OD1 no hydrogen 2.791 N/A LEU 27.A N ASP 238.A OD2 no hydrogen 2.765 N/A GLY 28.A N ASP 238.A OD1 no hydrogen 3.017 N/A VAL 29.A N SER 26.A OG no hydrogen 3.041 N/A ARG 30.A N LEU 5.A O no hydrogen 2.906 N/A ARG 30.A NE GLU 85.A OE2 no hydrogen 2.724 N/A ARG 30.A NH1 GLU 85.A OE2 no hydrogen 2.969 N/A LEU 31.A N PRO 58.A O no hydrogen 3.136 N/A TYR 32.A OH GLU 85.A OE1 no hydrogen 2.677 N/A THR 33.A N ALA 60.A O no hydrogen 3.043 N/A THR 33.A OG1 GLU 34.A O no hydrogen 2.893 N/A THR 36.A N GLN 62.A O no hydrogen 2.948 N/A THR 36.A OG1 GLU 34.A O no hydrogen 2.973 N/A ASP 38.A N ALA 64.A O no hydrogen 2.845 N/A VAL 41.A N VAL 37.A O no hydrogen 3.364 N/A LEU 42.A N ASP 38.A O no hydrogen 2.960 N/A ARG 43.A N GLN 39.A O no hydrogen 2.866 N/A GLY 44.A N ALA 40.A O no hydrogen 2.770 N/A ARG 46.A NE VAL 41.A O no hydrogen 2.941 N/A ARG 46.A NH2 LEU 42.A O no hydrogen 3.104 N/A GLU 47.A N ASN 45.A OD1 no hydrogen 3.281 N/A LEU 49.A N ASN 45.A O no hydrogen 3.087 N/A LEU 50.A N ARG 46.A O no hydrogen 2.810 N/A ALA 51.A N GLU 47.A O no hydrogen 2.962 N/A ARG 53.A N GLU 56.A OE1 no hydrogen 3.002 N/A ARG 53.A NH1 GLU 263.A OE1 no hydrogen 3.511 N/A ARG 53.A NH2 GLU 263.A OE1 no hydrogen 3.314 N/A ARG 53.A NH2 GLU 264.A OE2 no hydrogen 3.221 N/A GLU 55.A N GLU 55.A OE1 no hydrogen 2.752 N/A GLU 56.A N ARG 53.A O no hydrogen 2.921 N/A HIS 57.A N PRO 54.A O no hydrogen 3.189 N/A HIS 57.A ND1 ASP 84.A OD2 no hydrogen 2.685 N/A ILE 59.A N ASP 84.A OD2 no hydrogen 2.907 N/A ALA 60.A N LEU 31.A O no hydrogen 2.769 N/A LEU 61.A N GLU 85.A O no hydrogen 2.940 N/A GLN 62.A N THR 33.A OG1 no hydrogen 3.002 N/A GLN 62.A NE2 ASN 87.A OD1 no hydrogen 2.962 N/A LEU 63.A N ASN 87.A O no hydrogen 2.796 N/A ALA 64.A N THR 36.A O no hydrogen 3.039 N/A SER 70.A N ASP 67.A OD2 no hydrogen 3.051 N/A SER 70.A OG ASP 67.A OD2 no hydrogen 2.825 N/A LEU 71.A N ASP 67.A O no hydrogen 2.959 N/A ALA 72.A N PRO 68.A O no hydrogen 2.852 N/A GLU 73.A N LYS 69.A O no hydrogen 3.045 N/A ALA 74.A N SER 70.A O no hydrogen 2.908 N/A ALA 75.A N LEU 71.A O no hydrogen 2.819 N/A ARG 76.A N ALA 72.A O no hydrogen 2.927 N/A ARG 76.A NE GLU 73.A OE1 no hydrogen 2.962 N/A ARG 76.A NE GLU 73.A OE2 no hydrogen 3.296 N/A ARG 76.A NH2 GLU 73.A OE2 no hydrogen 2.801 N/A ILE 77.A N GLU 73.A O no hydrogen 2.959 N/A GLY 78.A N ALA 74.A O no hydrogen 2.875 N/A GLU 79.A N ALA 75.A O no hydrogen 2.798 N/A ALA 80.A N ARG 76.A O no hydrogen 2.955 N/A PHE 81.A N ILE 77.A O no hydrogen 3.136 N/A PHE 81.A N GLY 78.A O no hydrogen 3.112 N/A GLY 82.A N GLU 79.A O no hydrogen 2.854 N/A TYR 83.A N GLY 78.A O no hydrogen 3.464 N/A TYR 83.A OH LEU 50.A O no hydrogen 2.538 N/A ASP 84.A N ILE 59.A O no hydrogen 2.943 N/A ILE 86.A N PRO 127.A O no hydrogen 2.927 N/A ASN 87.A N LEU 61.A O no hydrogen 2.758 N/A ASN 87.A ND2 THR 129.A OG1 no hydrogen 2.838 N/A LEU 88.A N THR 129.A O no hydrogen 2.876 N/A ASN 89.A N LEU 63.A O no hydrogen 2.882 N/A ASN 89.A ND2 GLN 62.A OE1 no hydrogen 3.108 N/A LEU 90.A N LYS 131.A O no hydrogen 2.812 N/A GLY 91.A N ASN 89.A OD1 no hydrogen 3.029 N/A CYS 92.A N ASN 89.A OD1 no hydrogen 2.989 N/A CYS 92.A SG SER 94.A OG no hydrogen 3.514 N/A ALA 97.A N SER 94.A OG no hydrogen 2.988 N/A GLN 98.A N SER 94.A O no hydrogen 3.065 N/A GLN 98.A NE2 PRO 93.A O no hydrogen 2.924 N/A GLN 98.A NE2 SER 94.A O no hydrogen 3.542 N/A GLN 98.A NE2 LEU 169.A O no hydrogen 3.064 N/A GLU 99.A N GLU 95.A O no hydrogen 2.996 N/A GLY 100.A N LYS 96.A O no hydrogen 2.965 N/A GLY 101.A N GLN 98.A O no hydrogen 3.387 N/A TYR 102.A N ALA 97.A O no hydrogen 2.925 N/A ALA 104.A N CYS 92.A O no hydrogen 2.938 N/A CYS 105.A SG.A ALA 97.A O no hydrogen 3.954 N/A CYS 105.A SG.A TYR 102.A O no hydrogen 3.176 N/A CYS 105.A SG.B TYR 102.A O no hydrogen 3.818 N/A LEU 106.A N GLY 103.A O no hydrogen 3.057 N/A LEU 107.A N ALA 104.A O no hydrogen 3.000 N/A LEU 108.A N CYS 105.A O.A no hydrogen 3.374 N/A LEU 108.A N CYS 105.A O.B no hydrogen 3.042 N/A ASP 109.A N LEU 106.A O no hydrogen 2.899 N/A ARG 112.A N ASP 109.A OD1 no hydrogen 3.130 N/A ARG 112.A NH2 SER 66.A O no hydrogen 2.969 N/A VAL 113.A N ASP 109.A O no hydrogen 3.019 N/A ARG 114.A N LEU 110.A O no hydrogen 2.905 N/A GLU 115.A N ALA 111.A O no hydrogen 3.258 N/A ILE 116.A N ARG 112.A O no hydrogen 2.932 N/A LEU 117.A N VAL 113.A O no hydrogen 2.984 N/A LYS 118.A N ARG 114.A O no hydrogen 2.900 N/A ALA 119.A N GLU 115.A O no hydrogen 3.051 N/A MET 120.A N ILE 116.A O no hydrogen 2.897 N/A GLY 121.A N LEU 117.A O no hydrogen 2.799 N/A GLU 122.A N LYS 118.A O no hydrogen 3.134 N/A ALA 123.A N MET 120.A O no hydrogen 3.030 N/A ARG 125.A N GLU 79.A OE2 no hydrogen 2.694 N/A VAL 126.A N GLU 79.A OE2 no hydrogen 3.395 N/A THR 129.A N ILE 86.A O no hydrogen 2.905 N/A THR 129.A OG1 GLU 85.A OE1 no hydrogen 2.583 N/A VAL 130.A N VAL 159.A O no hydrogen 3.346 N/A LYS 131.A N LEU 88.A O no hydrogen 3.084 N/A MET 132.A N VAL 161.A O no hydrogen 2.779 N/A ARG 133.A NE GLY 91.A O no hydrogen 2.882 N/A ARG 133.A NH1 SER 166.A O no hydrogen 3.070 N/A ARG 133.A NH1 ASN 176.A O no hydrogen 2.748 N/A ARG 133.A NH2 ASN 176.A O no hydrogen 3.277 N/A LEU 134.A N ARG 165.A O no hydrogen 2.924 N/A GLU 137.A N ALA 167.A O no hydrogen 2.712 N/A GLY 138.A N SER 166.A OG no hydrogen 2.812 N/A LYS 139.A N LEU 136.A O no hydrogen 3.148 N/A TYR 142.A OH ASP 193.A OD2 no hydrogen 2.583 N/A GLY 144.A N THR 141.A OG1 no hydrogen 2.921 N/A LEU 145.A N THR 141.A O no hydrogen 2.927 N/A ALA 146.A N TYR 142.A O no hydrogen 2.861 N/A GLN 147.A N ARG 143.A O no hydrogen 2.901 N/A SER 148.A N GLY 144.A O no hydrogen 3.028 N/A SER 148.A OG LEU 145.A O no hydrogen 2.594 N/A VAL 149.A N LEU 145.A O no hydrogen 2.997 N/A GLU 150.A N ALA 146.A O no hydrogen 2.911 N/A ALA 151.A N GLN 147.A O no hydrogen 2.964 N/A MET 152.A N SER 148.A O no hydrogen 3.040 N/A ALA 153.A N VAL 149.A O no hydrogen 2.876 N/A GLU 154.A N GLU 150.A O no hydrogen 2.961 N/A ALA 155.A N MET 152.A O no hydrogen 2.979 N/A GLY 156.A N ALA 153.A O no hydrogen 2.962 N/A VAL 157.A N MET 152.A O no hydrogen 3.247 N/A PHE 160.A N THR 198.A O no hydrogen 2.803 N/A VAL 161.A N VAL 130.A O no hydrogen 2.855 N/A VAL 162.A N VAL 200.A O no hydrogen 2.820 N/A HIS 163.A N MET 132.A O no hydrogen 2.851 N/A ALA 164.A N ASN 202.A O no hydrogen 2.883 N/A ARG 165.A N HIS 163.A O no hydrogen 2.706 N/A ARG 165.A NE PRO 180.A O no hydrogen 2.781 N/A ARG 165.A NH1 HIS 163.A NE2 no hydrogen 3.001 N/A ARG 165.A NH2 PRO 180.A O no hydrogen 3.074 N/A SER 166.A OG GLU 140.A OE1 no hydrogen 2.716 N/A ALA 167.A N GLY 135.A O no hydrogen 2.974 N/A LEU 168.A N ASN 176.A OD1 no hydrogen 2.722 N/A LEU 169.A N GLU 137.A OE2 no hydrogen 2.874 N/A LEU 171.A N LEU 168.A O no hydrogen 2.915 N/A LYS 174.A NZ GLU 178.A OE1 no hydrogen 3.512 N/A LYS 174.A NZ GLU 178.A OE2 no hydrogen 3.421 N/A ALA 175.A N SER 172.A OG no hydrogen 3.080 N/A ASN 176.A N SER 172.A O no hydrogen 2.960 N/A ASN 176.A ND2 LEU 168.A O no hydrogen 2.885 N/A ASN 176.A ND2 SER 172.A O no hydrogen 3.285 N/A ARG 177.A N LYS 174.A O no hydrogen 3.104 N/A GLU 178.A N ALA 175.A O no hydrogen 3.176 N/A ILE 179.A N ALA 175.A O no hydrogen 2.891 N/A ARG 183.A N ALA 164.A O no hydrogen 2.729 N/A HIS 184.A ND1 THR 201.A OG1 no hydrogen 2.749 N/A HIS 184.A NE2 GLY 203.A O no hydrogen 2.823 N/A TRP 186.A N ARG 183.A O no hydrogen 2.990 N/A HIS 188.A N HIS 184.A O no hydrogen 2.979 N/A HIS 188.A NE2 HIS 214.A ND1 no hydrogen 2.946 N/A ARG 189.A N ASP 185.A O no hydrogen 2.836 N/A LEU 190.A N TRP 186.A O no hydrogen 2.918 N/A LYS 191.A N VAL 187.A O no hydrogen 3.213 N/A LYS 191.A NZ PRO 195.A O no hydrogen 3.031 N/A LYS 191.A NZ LEU 197.A O no hydrogen 2.791 N/A LYS 191.A NZ ASP 219.A OD1 no hydrogen 2.939 N/A LYS 191.A NZ ASP 219.A OD2 no hydrogen 2.882 N/A GLY 192.A N HIS 188.A O no hydrogen 3.239 N/A ASP 193.A N ARG 189.A O no hydrogen 2.934 N/A ASP 193.A N LEU 190.A O no hydrogen 3.087 N/A PHE 194.A N LEU 190.A O no hydrogen 2.710 N/A GLN 196.A N GLN 196.A OE1 no hydrogen 2.752 N/A LEU 197.A N PHE 194.A O no hydrogen 2.940 N/A THR 198.A N LYS 158.A O no hydrogen 2.828 N/A PHE 199.A N ASP 219.A OD2 no hydrogen 2.835 N/A VAL 200.A N PHE 160.A O no hydrogen 2.923 N/A THR 201.A N GLY 220.A O no hydrogen 2.917 N/A THR 201.A OG1 HIS 184.A ND1 no hydrogen 2.749 N/A ASN 202.A ND2 MET 222.A O no hydrogen 2.905 N/A ARG 206.A N GLU 210.A OE1 no hydrogen 2.814 N/A ARG 206.A NH2 GLU 229.A OE1 no hydrogen 2.591 N/A GLU 210.A N SER 207.A OG no hydrogen 3.165 N/A ALA 211.A N SER 207.A O no hydrogen 3.098 N/A LEU 212.A N LEU 208.A O no hydrogen 2.857 N/A PHE 213.A N GLU 209.A O no hydrogen 3.221 N/A HIS 214.A N GLU 210.A O no hydrogen 3.397 N/A HIS 214.A ND1 HIS 188.A NE2 no hydrogen 2.946 N/A LEU 215.A N ALA 211.A O no hydrogen 2.918 N/A LYS 216.A N PHE 213.A O no hydrogen 3.215 N/A ARG 217.A N HIS 214.A O no hydrogen 2.764 N/A ARG 217.A NH2 PHE 213.A O no hydrogen 2.940 N/A VAL 218.A N HIS 214.A O no hydrogen 2.792 N/A ASP 219.A N PHE 199.A O no hydrogen 2.951 N/A GLY 220.A N PHE 199.A O no hydrogen 3.139 N/A VAL 221.A N ARG 4.A O no hydrogen 2.903 N/A MET 222.A N THR 201.A O no hydrogen 2.949 N/A LEU 223.A N SER 6.A O no hydrogen 2.944 N/A ARG 225.A NH1 ARG 177.A O no hydrogen 3.160 N/A ARG 225.A NH2 ARG 177.A O no hydrogen 3.182 N/A VAL 227.A N GLY 224.A O no hydrogen 3.020 N/A TYR 228.A N GLY 224.A O no hydrogen 3.299 N/A TYR 228.A OH HIS 277.A ND1 no hydrogen 2.715 N/A GLU 229.A N ARG 225.A O no hydrogen 2.859 N/A ASP 230.A N ALA 226.A O no hydrogen 3.126 N/A ASP 230.A N VAL 227.A O no hydrogen 3.267 N/A VAL 233.A N ASP 230.A O no hydrogen 2.887 N/A LEU 234.A N PRO 231.A O no hydrogen 3.011 N/A GLU 235.A N PHE 232.A O no hydrogen 2.939 N/A ALA 237.A N LEU 234.A O no hydrogen 2.967 N/A ARG 240.A N GLU 236.A O no hydrogen 2.830 N/A ARG 240.A NH1 GLU 209.A OE1 no hydrogen 3.115 N/A ARG 240.A NH2 GLU 209.A OE1 no hydrogen 3.273 N/A ARG 240.A NH2 GLU 236.A OE1 no hydrogen 3.076 N/A VAL 241.A N ALA 237.A O no hydrogen 2.809 N/A PHE 242.A N ALA 237.A O no hydrogen 3.204 N/A LEU 244.A N ASP 238.A O no hydrogen 2.718 N/A ARG 246.A NH1 GLN 24.A O no hydrogen 2.719 N/A ARG 246.A NH2 VAL 25.A O no hydrogen 3.083 N/A ARG 246.A NH2 ASP 238.A OD2 no hydrogen 2.914 N/A VAL 253.A N SER 249.A O no hydrogen 2.831 N/A ALA 254.A N ARG 250.A O no hydrogen 2.915 N/A ARG 255.A N LEU 251.A O no hydrogen 2.926 N/A ARG 256.A N GLU 252.A O no hydrogen 2.980 N/A ARG 256.A NH1 ARG 256.A O no hydrogen 2.740 N/A MET 257.A N VAL 253.A O no hydrogen 2.885 N/A ARG 258.A N ALA 254.A O no hydrogen 3.094 N/A ARG 258.A N ARG 255.A O no hydrogen 3.253 N/A ARG 258.A NE ASP 305.A OD2 no hydrogen 2.627 N/A ARG 258.A NH1 ASP 305.A OD1 no hydrogen 3.238 N/A ARG 258.A NH1 ASP 305.A OD2 no hydrogen 3.359 N/A ALA 259.A N ARG 255.A O no hydrogen 3.371 N/A TYR 260.A N ARG 256.A O no hydrogen 2.978 N/A TYR 260.A OH HIS 17.A ND1 no hydrogen 2.772 N/A LEU 261.A N MET 257.A O no hydrogen 2.780 N/A GLU 262.A N ARG 258.A O no hydrogen 3.031 N/A GLU 263.A N ALA 259.A O no hydrogen 3.285 N/A GLU 264.A N TYR 260.A O no hydrogen 3.080 N/A VAL 265.A N LEU 261.A O no hydrogen 2.918 N/A LEU 266.A N GLU 262.A O no hydrogen 3.151 N/A LYS 267.A N GLU 264.A O no hydrogen 3.089 N/A GLY 268.A N VAL 265.A O no hydrogen 3.130 N/A THR 269.A N GLU 264.A O no hydrogen 2.997 N/A THR 269.A OG1 GLU 264.A O no hydrogen 3.161 N/A THR 269.A OG1 GLU 264.A OE1 no hydrogen 2.774 N/A ALA 273.A N PRO 270.A O no hydrogen 2.943 N/A VAL 274.A N PRO 271.A O no hydrogen 3.069 N/A LEU 275.A N PRO 271.A O no hydrogen 2.962 N/A ARG 276.A N TRP 272.A O no hydrogen 2.986 N/A ARG 276.A NH1 ASP 12.A O no hydrogen 3.389 N/A ARG 276.A NH1 ASP 12.A OD1 no hydrogen 3.495 N/A ARG 276.A NH2 ASP 12.A O no hydrogen 3.447 N/A ARG 276.A NH2 ASP 12.A OD1 no hydrogen 3.134 N/A HIS 277.A N VAL 274.A O no hydrogen 3.191 N/A HIS 277.A ND1 TYR 228.A OH no hydrogen 2.715 N/A HIS 277.A NE2 ASP 15.A OD2 no hydrogen 2.828 N/A MET 278.A N LEU 275.A O no hydrogen 2.838 N/A ASN 280.A ND2 TYR 228.A O no hydrogen 2.917 N/A LEU 281.A N MET 278.A O no hydrogen 3.329 N/A ARG 283.A N ASN 280.A O no hydrogen 3.134 N/A ARG 285.A N PHE 282.A O no hydrogen 2.979 N/A LYS 287.A NZ LEU 310.A O no hydrogen 3.004 N/A GLY 288.A N ARG 285.A O no hydrogen 2.964 N/A TRP 291.A N LYS 287.A O no hydrogen 3.040 N/A TRP 291.A NE1 MET 278.A O no hydrogen 2.890 N/A ARG 292.A N GLY 288.A O no hydrogen 3.159 N/A ARG 292.A NH2 ASN 280.A OD1 no hydrogen 2.763 N/A ARG 293.A N ARG 289.A O no hydrogen 2.869 N/A LEU 294.A N LEU 290.A O no hydrogen 2.760 N/A LEU 295.A N TRP 291.A O no hydrogen 3.183 N/A SER 296.A N ARG 292.A O no hydrogen 2.903 N/A SER 296.A OG ARG 292.A O no hydrogen 3.021 N/A GLU 297.A N ARG 293.A O no hydrogen 2.860 N/A GLY 298.A N LEU 294.A O no hydrogen 2.975 N/A ARG 299.A N LEU 295.A O no hydrogen 2.840 N/A ARG 299.A NE SER 296.A O no hydrogen 2.925 N/A ALA 303.A N SER 300.A OG no hydrogen 3.188 N/A LEU 304.A N SER 300.A O no hydrogen 2.978 N/A ASP 305.A N LEU 301.A O no hydrogen 2.931 N/A ARG 306.A N GLN 302.A O no hydrogen 3.152 N/A ALA 307.A N ALA 303.A O no hydrogen 3.053 N/A LEU 308.A N LEU 304.A O no hydrogen 2.846 N/A ARG 309.A N ASP 305.A O no hydrogen 3.156 N/A LEU 310.A N ARG 306.A O no hydrogen 3.055 N/A MET 311.A N ALA 307.A O no hydrogen 3.045 N/A MET 311.A N LEU 308.A O no hydrogen 3.071 N/A