Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4trt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N GLN 64.A OE1 no hydrogen 2.776 N/A LYS 3.A N GLN 63.A O no hydrogen 3.223 N/A ALA 4.A N LEU 89.A O no hydrogen 2.801 N/A ASN 5.A N GLU 61.A O no hydrogen 2.848 N/A VAL 6.A N VAL 87.A O no hydrogen 2.970 N/A LYS 8.A N GLU 85.A O no hydrogen 2.888 N/A LYS 8.A NZ LEU 82.A O no hydrogen 2.857 N/A LYS 8.A NZ GLY 83.A O no hydrogen 3.170 N/A LYS 8.A NZ GLY 84.A O no hydrogen 2.802 N/A LYS 9.A NZ GLU 13.A OE2 no hydrogen 2.829 N/A LEU 11.A N THR 7.A O no hydrogen 3.082 N/A ASN 12.A N LYS 8.A O no hydrogen 2.750 N/A GLU 13.A N LYS 9.A O no hydrogen 3.128 N/A GLY 14.A N THR 10.A O no hydrogen 3.179 N/A LEU 15.A N LEU 11.A O no hydrogen 2.943 N/A GLY 16.A N ASN 12.A O no hydrogen 2.877 N/A LEU 17.A N GLU 13.A O no hydrogen 3.243 N/A LEU 18.A N GLY 14.A O no hydrogen 3.062 N/A GLU 19.A N LEU 15.A O no hydrogen 2.803 N/A ARG 20.A NH2 ARG 201.A O.A no hydrogen 3.507 N/A ARG 20.A NH2 ARG 201.A O.B no hydrogen 3.538 N/A VAL 21.A N LEU 18.A O no hydrogen 3.113 N/A ILE 22.A N LEU 18.A O no hydrogen 2.874 N/A ASN 28.A N SER 26.A OG no hydrogen 3.072 N/A LEU 30.A N ASN 28.A OD1 no hydrogen 3.048 N/A LEU 31.A N ASN 28.A O no hydrogen 3.194 N/A THR 32.A OG1 PRO 29.A O no hydrogen 3.431 N/A ALA 33.A N LEU 30.A O no hydrogen 2.992 N/A LEU 34.A N VAL 70.A O no hydrogen 2.764 N/A LYS 35.A N SER 46.A O no hydrogen 2.777 N/A LYS 35.A NZ PRO 116.A O no hydrogen 3.389 N/A VAL 36.A N PHE 68.A O no hydrogen 2.869 N/A GLU 37.A N THR 44.A O no hydrogen 2.864 N/A THR 38.A N ASN 67.A OD1 no hydrogen 3.311 N/A THR 38.A OG1 GLU 66.A O no hydrogen 2.701 N/A SER 39.A N GLY 42.A O no hydrogen 3.049 N/A LEU 43.A N VAL 58.A O no hydrogen 2.840 N/A THR 44.A N GLU 37.A O no hydrogen 2.709 N/A LEU 45.A N CYS 56.A O.A no hydrogen 2.797 N/A LEU 45.A N CYS 56.A O.B no hydrogen 2.789 N/A SER 46.A N LYS 35.A O no hydrogen 2.834 N/A GLY 47.A N LEU 54.A O no hydrogen 3.009 N/A THR 48.A OG1 ILE 52.A O no hydrogen 2.955 N/A THR 48.A OG1 ASP 53.A OD1 no hydrogen 2.793 N/A ASN 49.A N ILE 52.A O no hydrogen 3.184 N/A LEU 50.A N THR 48.A OG1 no hydrogen 2.931 N/A GLU 51.A N ASN 49.A OD1 no hydrogen 2.901 N/A ILE 52.A N ASN 49.A OD1 no hydrogen 2.843 N/A ASP 53.A N ASN 227.A O no hydrogen 3.006 N/A LEU 54.A N GLY 47.A O no hydrogen 2.962 N/A SER 55.A N LYS 225.A O no hydrogen 2.865 N/A CYS 56.A N.A LEU 45.A O no hydrogen 2.748 N/A CYS 56.A N.B LEU 45.A O no hydrogen 2.741 N/A CYS 56.A SG.A PHE 57.A O no hydrogen 3.915 N/A CYS 56.A SG.A ARG 223.A O no hydrogen 3.919 N/A CYS 56.A SG.B GLY 14.A O no hydrogen 3.822 N/A PHE 57.A N ARG 223.A O no hydrogen 2.826 N/A VAL 58.A N LEU 43.A O no hydrogen 2.720 N/A ALA 60.A N GLY 41.A O no hydrogen 3.115 N/A GLU 61.A N ASN 5.A O no hydrogen 3.098 N/A GLN 63.A N LYS 3.A O no hydrogen 2.876 N/A GLN 63.A NE2 VAL 1.A O no hydrogen 3.076 N/A GLU 66.A N THR 38.A OG1 no hydrogen 2.748 N/A PHE 68.A N VAL 36.A O no hydrogen 3.110 N/A VAL 70.A N LEU 34.A O no hydrogen 3.147 N/A ALA 72.A N THR 32.A O no hydrogen 3.152 N/A PHE 75.A N PRO 71.A O no hydrogen 3.112 N/A ALA 76.A N ALA 72.A O no hydrogen 3.072 N/A GLN 77.A N HIS 73.A O no hydrogen 2.942 N/A ILE 78.A N LEU 74.A O no hydrogen 2.953 N/A VAL 79.A N PHE 75.A O no hydrogen 3.074 N/A ARG 80.A N ALA 76.A O no hydrogen 2.969 N/A ARG 80.A NH2 GLU 19.A OE2 no hydrogen 3.311 N/A ASN 81.A N GLN 77.A O no hydrogen 3.086 N/A LEU 82.A N VAL 79.A O no hydrogen 3.148 N/A VAL 87.A N VAL 6.A O no hydrogen 2.778 N/A GLU 88.A N ARG 99.A O no hydrogen 2.866 N/A LEU 89.A N ALA 4.A O no hydrogen 2.819 N/A GLU 90.A N SER 97.A O no hydrogen 3.001 N/A LEU 91.A N MET 2.A O no hydrogen 2.961 N/A SER 92.A N GLU 95.A O no hydrogen 3.005 N/A GLU 95.A N SER 92.A O no hydrogen 3.113 N/A LEU 96.A N LEU 107.A O no hydrogen 2.786 N/A SER 97.A N GLU 90.A O no hydrogen 2.684 N/A VAL 98.A N PHE 105.A O no hydrogen 2.724 N/A ARG 99.A N GLU 88.A O no hydrogen 2.918 N/A ARG 99.A NH1 GLU 88.A OE1 no hydrogen 3.541 N/A ARG 99.A NH1 GLU 90.A OE1 no hydrogen 2.858 N/A SER 100.A N SER 103.A O no hydrogen 3.094 N/A SER 100.A OG LEU 86.A O no hydrogen 2.909 N/A SER 103.A N SER 100.A O no hydrogen 2.873 N/A PHE 105.A N VAL 98.A O no hydrogen 2.817 N/A LYS 106.A NZ SER 97.A OG no hydrogen 3.067 N/A LYS 106.A NZ ASP 104.A OD1 no hydrogen 2.953 N/A LYS 106.A NZ ASP 104.A OD2 no hydrogen 3.295 N/A LEU 107.A N LEU 96.A O no hydrogen 2.804 N/A THR 109.A N GLN 94.A O no hydrogen 2.883 N/A THR 109.A OG1 GLN 94.A OE1 no hydrogen 2.857 N/A GLY 110.A N VAL 69.A O no hydrogen 2.879 N/A ILE 112.A N GLY 110.A O no hydrogen 3.097 N/A ALA 114.A N ASP 111.A O no hydrogen 3.062 N/A TYR 115.A N ILE 112.A O no hydrogen 2.996 N/A GLN 123.A NE2 ASP 125.A OD1 no hydrogen 2.672 N/A ASP 125.A N PHE 210.A O no hydrogen 2.891 N/A VAL 126.A N PHE 210.A O no hydrogen 3.368 N/A LEU 128.A N ALA 208.A O no hydrogen 3.028 N/A GLY 130.A N GLY 206.A O no hydrogen 2.696 N/A GLU 132.A N ASP 129.A OD2 no hydrogen 2.949 N/A LEU 133.A N ASP 129.A O no hydrogen 2.995 N/A SER 134.A N GLY 130.A O no hydrogen 2.850 N/A ARG 135.A N GLY 131.A O no hydrogen 3.064 N/A ALA 136.A N GLU 132.A O no hydrogen 2.997 N/A PHE 137.A N LEU 133.A O no hydrogen 2.872 N/A SER 138.A N SER 134.A O no hydrogen 2.909 N/A SER 138.A OG SER 134.A O no hydrogen 3.155 N/A SER 139.A N ARG 135.A O no hydrogen 3.034 N/A SER 139.A N ALA 136.A O no hydrogen 3.113 N/A SER 139.A OG ARG 135.A O no hydrogen 2.813 N/A VAL 140.A N ALA 136.A O no hydrogen 3.292 N/A VAL 140.A N PHE 137.A O no hydrogen 3.242 N/A ARG 141.A N PHE 137.A O no hydrogen 2.992 N/A ARG 141.A NE ASP 197.A OD1 no hydrogen 2.732 N/A ARG 141.A NE ASP 197.A OD2 no hydrogen 3.298 N/A ARG 141.A NH1 ARG 141.A O no hydrogen 3.052 N/A ARG 141.A NH2 ASP 197.A OD2 no hydrogen 3.148 N/A TYR 142.A OH TYR 353.A OH no hydrogen 2.840 N/A ALA 143.A N VAL 140.A O no hydrogen 3.091 N/A ALA 144.A N ARG 141.A O no hydrogen 3.200 N/A SER 145.A N.A PHE 153.A O no hydrogen 3.338 N/A SER 145.A N.B PHE 153.A O no hydrogen 3.322 N/A GLU 147.A N SER 145.A OG.A no hydrogen 2.997 N/A ALA 148.A N SER 145.A O.A no hydrogen 3.429 N/A ALA 148.A N SER 145.A O.B no hydrogen 3.423 N/A PHE 153.A N GLN 150.A O no hydrogen 2.968 N/A ARG 154.A N ALA 151.A O no hydrogen 2.894 N/A ARG 154.A NE ALA 148.A O no hydrogen 3.089 N/A ARG 154.A NH2 ALA 148.A O no hydrogen 3.039 N/A GLY 155.A N VAL 152.A O no hydrogen 3.133 N/A ILE 156.A N ILE 191.A O no hydrogen 2.779 N/A LYS 157.A N VAL 168.A O no hydrogen 2.869 N/A LYS 157.A NZ GLU 159.A OE2 no hydrogen 2.842 N/A LEU 158.A N LEU 189.A O no hydrogen 2.763 N/A GLU 159.A N ARG 166.A O no hydrogen 2.789 N/A HIS 161.A N SER 164.A O no hydrogen 2.737 N/A HIS 161.A NE2 GLU 159.A OE1 no hydrogen 2.609 N/A SER 164.A N HIS 161.A O no hydrogen 3.262 N/A ALA 165.A N PHE 180.A O no hydrogen 2.848 N/A ARG 166.A N GLU 159.A O no hydrogen 2.874 N/A ARG 166.A NE ASP 179.A OD1 no hydrogen 2.767 N/A ARG 166.A NH1 TYR 238.A OH no hydrogen 3.119 N/A ARG 166.A NH2 ASP 179.A OD1 no hydrogen 3.466 N/A ARG 166.A NH2 ASP 179.A OD2 no hydrogen 3.020 N/A VAL 167.A N ARG 178.A O no hydrogen 2.963 N/A VAL 168.A N LYS 157.A O no hydrogen 2.972 N/A ALA 169.A N ALA 176.A O no hydrogen 2.929 N/A SER 170.A OG ARG 174.A O no hydrogen 2.713 N/A ASP 171.A N ARG 174.A O no hydrogen 3.384 N/A GLY 172.A N SER 170.A OG no hydrogen 2.866 N/A TYR 173.A N ASP 171.A OD1 no hydrogen 2.835 N/A ARG 174.A N ASP 171.A OD1 no hydrogen 2.885 N/A ARG 174.A NH1 ASP 322.A OD2 no hydrogen 2.909 N/A VAL 175.A N VAL 356.A O no hydrogen 3.045 N/A ALA 176.A N ALA 169.A O no hydrogen 2.872 N/A ILE 177.A N MET 354.A O no hydrogen 2.919 N/A ARG 178.A N VAL 167.A O no hydrogen 3.039 N/A ARG 178.A NE GLY 351.A O no hydrogen 3.238 N/A ARG 178.A NH1 SER 139.A OG no hydrogen 2.939 N/A ARG 178.A NH2 GLY 351.A O no hydrogen 3.290 N/A ASP 179.A N GLY 352.A O no hydrogen 2.968 N/A PHE 180.A N ALA 165.A O no hydrogen 2.870 N/A ALA 182.A N GLU 163.A O no hydrogen 3.234 N/A LYS 187.A N TYR 212.A OH no hydrogen 3.023 N/A LEU 189.A N LEU 158.A O no hydrogen 3.110 N/A ILE 191.A N ILE 156.A O no hydrogen 2.879 N/A ALA 193.A N ARG 154.A O no hydrogen 3.217 N/A VAL 196.A N PRO 192.A O no hydrogen 3.009 N/A ASP 197.A N ALA 193.A O no hydrogen 3.050 N/A GLU 198.A N ARG 194.A O no hydrogen 3.338 N/A LEU 199.A N SER 195.A O no hydrogen 2.934 N/A ILE 200.A N VAL 196.A O no hydrogen 2.856 N/A ARG 201.A N.A ASP 197.A O no hydrogen 3.326 N/A ARG 201.A N.B ASP 197.A O no hydrogen 3.318 N/A ARG 201.A N.B GLU 198.A O no hydrogen 3.158 N/A ARG 201.A NH1.B GLU 198.A OE1 no hydrogen 3.178 N/A VAL 202.A N LEU 199.A O no hydrogen 3.032 N/A LEU 203.A N LEU 199.A O no hydrogen 2.915 N/A LYS 204.A NZ LEU 203.A O no hydrogen 2.995 N/A GLY 206.A N ASP 129.A OD1 no hydrogen 3.250 N/A ALA 208.A N LEU 128.A O no hydrogen 2.769 N/A ARG 209.A N THR 220.A O no hydrogen 2.729 N/A ARG 209.A NH1 GLU 207.A OE2 no hydrogen 3.365 N/A PHE 210.A N VAL 126.A O no hydrogen 2.935 N/A THR 211.A N THR 218.A O no hydrogen 2.769 N/A THR 211.A OG1 PRO 121.A O no hydrogen 3.419 N/A THR 211.A OG1 GLN 123.A O no hydrogen 2.702 N/A TYR 212.A N ASP 125.A OD2 no hydrogen 2.869 N/A GLY 213.A N MET 216.A O no hydrogen 2.983 N/A LEU 217.A N LEU 228.A O no hydrogen 2.846 N/A THR 218.A N THR 211.A O no hydrogen 2.937 N/A THR 218.A OG1 ASN 227.A OD1 no hydrogen 2.719 N/A VAL 219.A N MET 226.A O no hydrogen 2.891 N/A THR 220.A N ARG 209.A O no hydrogen 2.812 N/A THR 221.A N VAL 224.A O no hydrogen 2.872 N/A THR 221.A OG1 ASP 222.A O no hydrogen 2.924 N/A VAL 224.A N THR 221.A OG1 no hydrogen 3.357 N/A LYS 225.A N SER 55.A O no hydrogen 2.860 N/A MET 226.A N VAL 219.A O no hydrogen 2.886 N/A ASN 227.A N ASP 53.A O no hydrogen 2.860 N/A ASN 227.A ND2 ASP 53.A OD2 no hydrogen 3.113 N/A ASN 227.A ND2 SER 119.A O no hydrogen 2.853 N/A LEU 228.A N LEU 217.A O no hydrogen 2.961 N/A LYS 229.A NZ GLU 51.A OE1 no hydrogen 2.547 N/A LYS 229.A NZ GLU 51.A OE2 no hydrogen 3.362 N/A LEU 230.A N GLY 215.A O no hydrogen 2.967 N/A LEU 231.A N ILE 190.A O no hydrogen 2.873 N/A TYR 238.A OH GLU 159.A OE1 no hydrogen 3.337 N/A TYR 238.A OH GLU 159.A OE2 no hydrogen 2.602 N/A ARG 240.A N ASP 237.A O no hydrogen 3.315 N/A VAL 241.A N TYR 238.A O no hydrogen 3.087 N/A ILE 242.A N GLU 239.A O no hydrogen 3.172 N/A LYS 244.A NZ ILE 242.A O no hydrogen 3.123 N/A LYS 247.A N PHE 335.A O no hydrogen 2.821 N/A LYS 247.A NZ ASP 245.A OD1 no hydrogen 2.831 N/A LYS 247.A NZ ASP 245.A OD2 no hydrogen 3.082 N/A LEU 248.A N PHE 335.A O no hydrogen 3.342 N/A GLN 249.A N GLY 305.A O no hydrogen 2.886 N/A VAL 250.A N LEU 333.A O no hydrogen 2.917 N/A THR 251.A N THR 303.A O no hydrogen 2.849 N/A LEU 252.A N ALA 331.A O no hydrogen 3.077 N/A ALA 254.A N GLY 329.A O no hydrogen 2.866 N/A LEU 257.A N PRO 253.A O no hydrogen 3.186 N/A LYS 258.A N ALA 254.A O no hydrogen 2.930 N/A LYS 258.A NZ LEU 324.A O no hydrogen 3.306 N/A LYS 258.A NZ GLY 325.A O no hydrogen 3.097 N/A LYS 258.A NZ ILE 327.A O no hydrogen 2.770 N/A GLU 259.A N THR 255.A O no hydrogen 2.940 N/A ALA 260.A N ALA 256.A O no hydrogen 2.922 N/A VAL 261.A N LEU 257.A O no hydrogen 2.928 N/A ASN 262.A N LYS 258.A O no hydrogen 2.975 N/A ARG 263.A N GLU 259.A O no hydrogen 3.057 N/A ARG 263.A NH1 ASP 298.A OD2 no hydrogen 2.704 N/A VAL 264.A N ALA 260.A O no hydrogen 3.117 N/A ALA 265.A N VAL 261.A O no hydrogen 2.970 N/A VAL 266.A N ARG 263.A O no hydrogen 3.447 N/A LEU 267.A N VAL 264.A O no hydrogen 3.146 N/A ALA 268.A N ALA 265.A O no hydrogen 3.098 N/A ALA 272.A N ASP 269.A O no hydrogen 3.342 N/A ASN 273.A N ASN 271.A OD1 no hydrogen 3.234 N/A ASN 274.A ND2 ASN 316.A OD1 no hydrogen 3.083 N/A VAL 276.A N PHE 315.A O no hydrogen 2.863 N/A GLU 277.A N ALA 288.A O no hydrogen 2.725 N/A PHE 278.A N LEU 313.A O no hydrogen 2.739 N/A LEU 279.A N ARG 286.A O no hydrogen 2.791 N/A VAL 280.A N MET 311.A O no hydrogen 2.844 N/A SER 281.A N THR 284.A O no hydrogen 2.966 N/A GLY 283.A N GLN 304.A OE1 no hydrogen 2.791 N/A THR 284.A N SER 281.A O no hydrogen 2.891 N/A THR 284.A OG1 SER 281.A O no hydrogen 2.719 N/A LEU 285.A N LEU 300.A O no hydrogen 2.750 N/A ARG 286.A N LEU 279.A O no hydrogen 2.782 N/A ARG 286.A NH2 GLU 277.A OE2 no hydrogen 2.881 N/A LEU 287.A N ASP 298.A O no hydrogen 2.784 N/A ALA 288.A N GLU 277.A O no hydrogen 2.983 N/A ALA 289.A N ALA 296.A O no hydrogen 3.010 N/A GLY 291.A N GLY 294.A O no hydrogen 2.903 N/A ASP 292.A N ASP 269.A OD1 no hydrogen 3.104 N/A ALA 296.A N ALA 289.A O no hydrogen 2.829 N/A ASP 298.A N LEU 287.A O no hydrogen 2.916 N/A LEU 300.A N LEU 285.A O no hydrogen 2.797 N/A VAL 302.A N GLY 283.A O no hydrogen 3.006 N/A THR 303.A N THR 251.A O no hydrogen 3.019 N/A GLN 304.A NE2 GLN 309.A O no hydrogen 2.994 N/A GLY 305.A N GLN 249.A O no hydrogen 2.906 N/A GLU 308.A N LYS 247.A O no hydrogen 3.172 N/A GLN 309.A NE2 THR 307.A O no hydrogen 3.469 N/A MET 311.A N VAL 280.A O no hydrogen 3.087 N/A LEU 313.A N PHE 278.A O no hydrogen 2.837 N/A PHE 315.A N VAL 276.A O no hydrogen 2.927 N/A ALA 317.A N ASN 274.A O no hydrogen 2.898 N/A ARG 318.A N ASN 316.A OD1 no hydrogen 3.013 N/A HIS 319.A N ASN 316.A OD1 no hydrogen 3.373 N/A VAL 320.A N ASN 316.A O no hydrogen 2.923 N/A LEU 321.A N ALA 317.A O no hydrogen 2.978 N/A ASP 322.A N ARG 318.A O no hydrogen 2.919 N/A ALA 323.A N HIS 319.A O no hydrogen 2.927 N/A LEU 324.A N VAL 320.A O no hydrogen 2.892 N/A GLY 325.A N LEU 321.A O no hydrogen 3.025 N/A GLY 325.A N ASP 322.A O no hydrogen 3.360 N/A ILE 327.A N LEU 324.A O no hydrogen 2.824 N/A ALA 331.A N LEU 252.A O no hydrogen 2.757 N/A GLU 332.A N ARG 345.A O no hydrogen 2.766 N/A LEU 333.A N VAL 250.A O no hydrogen 2.788 N/A LEU 334.A N ILE 343.A O no hydrogen 2.779 N/A PHE 335.A N LEU 248.A O no hydrogen 2.874 N/A SER 336.A OG SER 340.A OG no hydrogen 2.771 N/A SER 336.A OG PRO 341.A O no hydrogen 2.592 N/A SER 340.A N GLY 337.A O no hydrogen 3.380 N/A SER 340.A OG SER 336.A OG no hydrogen 2.771 N/A ALA 342.A N MET 357.A O no hydrogen 2.831 N/A ILE 343.A N LEU 334.A O no hydrogen 2.811 N/A PHE 344.A N ALA 355.A O no hydrogen 2.899 N/A ARG 345.A N GLU 332.A O no hydrogen 3.048 N/A ARG 345.A NE GLU 332.A OE1 no hydrogen 2.842 N/A ARG 345.A NH2 GLU 332.A OE1 no hydrogen 2.626 N/A GLY 348.A N GLU 332.A OE2 no hydrogen 3.155 N/A GLY 349.A N ALA 346.A O no hydrogen 2.852 N/A GLY 350.A N VAL 347.A O no hydrogen 3.068 N/A GLY 352.A N GLY 349.A O no hydrogen 3.105 N/A TYR 353.A OH TYR 142.A OH no hydrogen 2.840 N/A TYR 353.A OH ALA 323.A O no hydrogen 2.633 N/A MET 354.A N ILE 177.A O no hydrogen 2.946 N/A ALA 355.A N PHE 344.A O no hydrogen 2.914 N/A VAL 356.A N VAL 175.A O no hydrogen 2.782 N/A MET 357.A N ALA 342.A O no hydrogen 2.863 N/A LEU 360.A N ALA 314.A O no hydrogen 2.831 N/A ARG 361.A NH1 THR 339.A O no hydrogen 3.462 N/A ARG 361.A NH2 THR 359.A O no hydrogen 2.794 N/A