Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3in4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N PHE 2.A O no hydrogen 2.716 N/A VAL 6.A N PHE 2.A O no hydrogen 3.135 N/A VAL 6.A N VAL 3.A O no hydrogen 3.351 N/A ASP 7.A N SER 170.A OG no hydrogen 2.690 N/A ASN 8.A N MET 5.A O no hydrogen 3.235 N/A ASN 8.A ND2 HIS 92.A O no hydrogen 3.150 N/A ASN 8.A ND2 MET 171.A O no hydrogen 2.995 N/A LEU 9.A N GLY 169.A O no hydrogen 3.033 N/A ARG 10.A N TYR 18.A O no hydrogen 3.065 N/A ARG 10.A NH1 ASP 7.A OD1 no hydrogen 2.701 N/A ARG 10.A NH1 ASP 7.A OD2 no hydrogen 3.312 N/A ARG 10.A NH1 LEU 9.A O no hydrogen 3.054 N/A ARG 10.A NH2 ASP 7.A OD2 no hydrogen 2.989 N/A GLY 11.A N VAL 167.A O no hydrogen 3.087 N/A SER 13.A N ALA 165.A O no hydrogen 2.825 N/A SER 13.A OG PRO 305.A O no hydrogen 3.400 N/A GLN 15.A N LYS 12.A O no hydrogen 2.802 N/A GLN 15.A NE2 ASN 114.A O no hydrogen 3.661 N/A TYR 17.A OH GLU 328.A OE2 no hydrogen 2.747 N/A TYR 18.A N ARG 10.A O no hydrogen 2.740 N/A VAL 19.A N ILE 32.A O no hydrogen 3.084 N/A MET 21.A N LEU 30.A O no hydrogen 2.770 N/A THR 22.A N SER 89.A O no hydrogen 2.974 N/A VAL 23.A N GLN 28.A O no hydrogen 3.039 N/A GLY 24.A N LEU 87.A O no hydrogen 2.899 N/A SER 25.A N SER 60.A OG no hydrogen 3.248 N/A SER 25.A OG THR 62.A OG1 no hydrogen 3.078 N/A GLN 28.A N VAL 23.A O no hydrogen 2.864 N/A GLN 28.A NE2 GLN 56.A O no hydrogen 3.027 N/A LEU 30.A N MET 21.A O no hydrogen 2.838 N/A ASN 31.A N GLU 119.A OE1 no hydrogen 3.004 N/A ASN 31.A ND2 ASN 117.A O no hydrogen 3.023 N/A ILE 32.A N VAL 19.A O no hydrogen 2.891 N/A LEU 33.A N GLY 120.A O no hydrogen 2.814 N/A VAL 34.A N TYR 17.A O no hydrogen 2.905 N/A ASP 35.A N LEU 122.A O no hydrogen 3.122 N/A THR 36.A N SER 226.A OG no hydrogen 3.039 N/A THR 36.A OG1 VAL 224.A O no hydrogen 2.727 N/A GLY 37.A N ASP 35.A OD1 no hydrogen 2.914 N/A SER 38.A OG ASP 35.A OD2 no hydrogen 2.720 N/A SER 39.A OG TYR 126.A O no hydrogen 2.610 N/A ASN 40.A ND2 ARG 131.A O no hydrogen 3.060 N/A ALA 42.A N ILE 121.A O no hydrogen 2.908 N/A VAL 43.A N ALA 103.A O no hydrogen 2.936 N/A GLY 44.A N GLU 119.A O no hydrogen 2.969 N/A ALA 45.A N ILE 105.A O no hydrogen 3.002 N/A PHE 50.A N HIS 48.A ND1 no hydrogen 2.910 N/A LEU 51.A N HIS 48.A O no hydrogen 2.861 N/A ARG 53.A NE GLU 119.A OE1 no hydrogen 3.067 N/A ARG 53.A NH2 GLU 119.A OE1 no hydrogen 3.567 N/A TYR 55.A N GLY 44.A O no hydrogen 2.892 N/A TYR 55.A OH ASP 86.A OD2 no hydrogen 2.509 N/A GLN 56.A N GLN 28.A OE1 no hydrogen 2.988 N/A ARG 57.A NH1 GLU 82.A OE1 no hydrogen 2.626 N/A ARG 57.A NH2 GLU 82.A OE1 no hydrogen 3.295 N/A GLN 58.A N GLN 58.A OE1 no hydrogen 2.694 N/A GLN 58.A NE2 GLN 56.A OE1 no hydrogen 3.275 N/A LEU 59.A N GLN 56.A O no hydrogen 3.056 N/A SER 60.A N ARG 57.A O no hydrogen 2.940 N/A SER 60.A OG ASP 86.A OD1 no hydrogen 3.377 N/A SER 60.A OG ASP 86.A OD2 no hydrogen 2.684 N/A SER 61.A N SER 25.A O no hydrogen 2.807 N/A SER 61.A OG SER 25.A O no hydrogen 3.538 N/A THR 62.A N SER 60.A OG no hydrogen 3.410 N/A THR 62.A OG1 SER 25.A OG no hydrogen 3.078 N/A THR 62.A OG1 ASP 86.A OD1 no hydrogen 2.974 N/A ARG 64.A N THR 85.A O no hydrogen 2.973 N/A LEU 66.A N LEU 83.A O no hydrogen 3.131 N/A ARG 67.A N ASP 65.A OD1 no hydrogen 2.692 N/A VAL 70.A N GLY 81.A O no hydrogen 2.978 N/A VAL 72.A N TRP 79.A O no hydrogen 2.826 N/A TYR 74.A N GLY 77.A O no hydrogen 3.409 N/A LYS 78.A N ASP 109.A O no hydrogen 3.134 N/A TRP 79.A N VAL 72.A O no hydrogen 2.936 N/A GLU 80.A N GLU 107.A O no hydrogen 2.794 N/A GLY 81.A N VAL 70.A O no hydrogen 2.937 N/A GLU 82.A N ALA 104.A O no hydrogen 3.047 N/A LEU 83.A N LYS 68.A O no hydrogen 2.838 N/A GLY 84.A N ILE 102.A O no hydrogen 3.185 N/A THR 85.A N ARG 64.A O no hydrogen 2.936 N/A ASP 86.A N ALA 100.A O no hydrogen 3.091 N/A LEU 87.A N ASP 86.A OD1 no hydrogen 2.678 N/A VAL 88.A N VAL 98.A O no hydrogen 2.601 N/A SER 89.A N THR 22.A O no hydrogen 3.039 N/A HIS 92.A ND1 GLU 4.A OE2 no hydrogen 2.539 N/A GLY 93.A N ILE 90.A O no hydrogen 2.808 N/A VAL 96.A N PRO 94.A O no hydrogen 2.921 N/A VAL 98.A N VAL 88.A O no hydrogen 2.933 N/A ARG 99.A N GLN 146.A OE1 no hydrogen 3.104 N/A ARG 99.A NH1 THR 62.A O no hydrogen 3.170 N/A ARG 99.A NH1 THR 85.A OG1 no hydrogen 2.742 N/A ARG 99.A NH2 THR 62.A O no hydrogen 2.783 N/A ALA 100.A N ASP 86.A O no hydrogen 3.035 N/A ASN 101.A ND2 GLU 137.A O no hydrogen 2.731 N/A ILE 102.A N GLY 84.A O no hydrogen 2.695 N/A ALA 103.A N PHE 41.A O no hydrogen 2.879 N/A ALA 104.A N GLU 82.A O no hydrogen 3.069 N/A ILE 105.A N VAL 43.A O no hydrogen 2.883 N/A THR 106.A N GLU 80.A O no hydrogen 2.970 N/A ASP 109.A N LYS 78.A O no hydrogen 2.978 N/A SER 116.A N ILE 113.A O no hydrogen 3.424 N/A SER 116.A OG ILE 113.A O no hydrogen 3.346 N/A ASN 117.A ND2 TYR 18.A OH no hydrogen 2.832 N/A TRP 118.A NE1 GLN 15.A O no hydrogen 2.868 N/A GLU 119.A N ASN 31.A O no hydrogen 2.738 N/A ILE 121.A N ALA 42.A O no hydrogen 2.632 N/A LEU 122.A N LEU 33.A O no hydrogen 2.798 N/A GLY 123.A N ASN 40.A O no hydrogen 2.836 N/A LEU 124.A N ASP 35.A O no hydrogen 2.713 N/A ALA 125.A N SER 38.A O no hydrogen 2.786 N/A TYR 126.A N TRP 194.A O no hydrogen 3.122 N/A ILE 129.A N TYR 126.A O no hydrogen 3.335 N/A ALA 130.A N ALA 127.A O no hydrogen 2.909 N/A ARG 131.A N ASN 40.A OD1 no hydrogen 2.858 N/A SER 135.A N ASP 133.A OD2 no hydrogen 2.888 N/A SER 135.A OG ASP 133.A OD2 no hydrogen 2.418 N/A LEU 136.A N ASP 133.A O no hydrogen 3.372 N/A SER 142.A N PRO 138.A O no hydrogen 3.258 N/A SER 142.A OG GLU 137.A OE2 no hydrogen 2.469 N/A SER 142.A OG PRO 138.A O no hydrogen 3.437 N/A LEU 143.A N PHE 139.A O no hydrogen 2.901 N/A VAL 144.A N PHE 140.A O no hydrogen 2.946 N/A LYS 145.A N ASP 141.A O no hydrogen 2.881 N/A LYS 145.A NZ GLU 137.A OE1 no hydrogen 3.345 N/A GLN 146.A N SER 142.A O no hydrogen 2.994 N/A GLN 146.A NE2 ARG 99.A O no hydrogen 2.876 N/A THR 147.A N LEU 143.A O no hydrogen 3.064 N/A THR 147.A OG1 LEU 143.A O no hydrogen 2.667 N/A VAL 149.A N THR 147.A OG1 no hydrogen 3.165 N/A LEU 152.A N PRO 150.A O no hydrogen 2.767 N/A PHE 153.A N PHE 334.A O no hydrogen 3.348 N/A SER 154.A N ILE 172.A O no hydrogen 2.978 N/A SER 154.A OG ILE 172.A O no hydrogen 3.400 N/A SER 154.A OG GLY 175.A O no hydrogen 3.117 N/A SER 154.A OG TYR 331.A OH no hydrogen 2.652 N/A LEU 155.A N VAL 332.A O no hydrogen 2.825 N/A GLN 156.A N SER 170.A O no hydrogen 2.925 N/A GLN 156.A NE2 SER 346.A OG no hydrogen 2.894 N/A CYS 158.A N GLY 168.A O no hydrogen 2.986 N/A CYS 158.A SG GLN 156.A O no hydrogen 4.036 N/A GLY 159.A N TYR 17.A OH no hydrogen 2.897 N/A VAL 167.A N GLY 11.A O no hydrogen 2.714 N/A GLY 168.A N GLY 159.A O no hydrogen 3.428 N/A GLY 169.A N LEU 9.A O no hydrogen 3.321 N/A SER 170.A N GLN 156.A O no hydrogen 2.922 N/A MET 171.A N ASN 8.A OD1 no hydrogen 2.764 N/A ILE 172.A N SER 154.A O no hydrogen 2.941 N/A GLY 174.A N LEU 152.A O no hydrogen 2.816 N/A ASP 177.A N TYR 331.A OH no hydrogen 3.081 N/A SER 179.A N ASP 177.A OD2 no hydrogen 3.326 N/A SER 179.A OG ASP 177.A OD2 no hydrogen 3.306 N/A LEU 180.A N ASP 177.A O no hydrogen 2.963 N/A TYR 181.A OH HIS 178.A ND1 no hydrogen 2.955 N/A THR 182.A N VAL 345.A O no hydrogen 3.071 N/A TRP 186.A N PHE 343.A O no hydrogen 2.936 N/A THR 188.A N ILE 341.A O no hydrogen 2.982 N/A THR 188.A OG1 MET 285.A O no hydrogen 2.588 N/A ILE 190.A N LYS 339.A O no hydrogen 3.116 N/A ARG 191.A N GLU 197.A O no hydrogen 2.856 N/A ARG 191.A NH1 GLU 197.A OE2 no hydrogen 2.876 N/A TRP 194.A N ARG 192.A O no hydrogen 3.016 N/A TRP 194.A N TYR 195.A O no hydrogen 3.242 N/A TRP 194.A NE1 GLU 197.A OE1 no hydrogen 2.752 N/A TYR 196.A OH LEU 124.A O no hydrogen 2.731 N/A VAL 198.A N SER 222.A O no hydrogen 2.931 N/A ILE 200.A N ASN 218.A OD1 no hydrogen 2.793 N/A VAL 201.A N TYR 283.A O no hydrogen 2.790 N/A ARG 202.A NH1 GLU 204.A OE1 no hydrogen 2.526 N/A GLU 204.A N SER 281.A O no hydrogen 2.964 N/A ILE 205.A N GLN 208.A O no hydrogen 2.953 N/A ASN 206.A N VAL 279.A O no hydrogen 2.929 N/A GLN 208.A N ILE 205.A O no hydrogen 2.766 N/A LEU 210.A N VAL 203.A O no hydrogen 3.268 N/A LYS 211.A N ASP 209.A OD2 no hydrogen 2.647 N/A LYS 211.A NZ ASP 209.A O no hydrogen 2.983 N/A LYS 215.A N ASP 213.A OD1 no hydrogen 3.201 N/A LYS 215.A NZ ASP 367.A O no hydrogen 2.868 N/A GLU 216.A N ASP 213.A O no hydrogen 2.851 N/A TYR 217.A N CYS 214.A O no hydrogen 3.340 N/A ASN 218.A N LYS 215.A O no hydrogen 3.299 N/A ASN 218.A ND2 ILE 200.A O no hydrogen 2.870 N/A ASN 218.A ND2 CYS 368.A O no hydrogen 3.029 N/A LYS 221.A NZ THR 318.A O no hydrogen 2.784 N/A SER 222.A OG ASN 218.A OD1 no hydrogen 2.619 N/A ILE 223.A N THR 320.A O no hydrogen 3.026 N/A VAL 224.A N TYR 196.A O no hydrogen 3.170 N/A ASP 225.A N MET 322.A O no hydrogen 3.053 N/A SER 226.A N THR 36.A OG1 no hydrogen 2.882 N/A SER 226.A OG VAL 34.A O no hydrogen 2.761 N/A GLY 227.A N ASP 225.A OD1 no hydrogen 2.613 N/A THR 228.A N ASP 225.A O no hydrogen 3.166 N/A THR 228.A OG1 ASP 225.A OD2 no hydrogen 2.556 N/A THR 229.A OG1 GLY 14.A O no hydrogen 3.091 N/A ASN 230.A ND2 SER 314.A OG no hydrogen 2.965 N/A LEU 231.A N ALA 312.A O no hydrogen 3.111 N/A ARG 232.A N VAL 321.A O no hydrogen 2.870 N/A ARG 232.A NH2 GLN 315.A O no hydrogen 2.959 N/A LEU 233.A N SER 314.A O no hydrogen 2.901 N/A PHE 238.A N PRO 234.A O no hydrogen 2.791 N/A GLU 239.A N LYS 235.A O no hydrogen 2.984 N/A ALA 240.A N LYS 236.A O no hydrogen 3.395 N/A ALA 241.A N VAL 237.A O no hydrogen 2.981 N/A VAL 242.A N PHE 238.A O no hydrogen 2.906 N/A LYS 243.A N GLU 239.A O no hydrogen 2.996 N/A SER 244.A N ALA 240.A O no hydrogen 3.216 N/A SER 244.A OG GLN 208.A OE1 no hydrogen 3.296 N/A ILE 245.A N ALA 241.A O no hydrogen 2.909 N/A LYS 246.A N VAL 242.A O no hydrogen 2.661 N/A ALA 247.A N LYS 243.A O no hydrogen 3.196 N/A ALA 248.A N SER 244.A O no hydrogen 3.227 N/A SER 249.A N ILE 245.A O no hydrogen 3.179 N/A SER 249.A OG ILE 245.A O no hydrogen 3.108 N/A SER 249.A OG LYS 246.A O no hydrogen 3.403 N/A SER 250.A N ALA 247.A O no hydrogen 2.987 N/A SER 250.A OG LYS 246.A O no hydrogen 2.781 N/A THR 251.A N SER 249.A O no hydrogen 2.690 N/A GLU 252.A N SER 249.A O no hydrogen 3.044 N/A LYS 253.A NZ SER 250.A OG no hydrogen 2.977 N/A PHE 258.A N PRO 255.A O no hydrogen 2.842 N/A LEU 260.A N ASP 256.A O no hydrogen 3.040 N/A GLY 261.A N PHE 258.A O no hydrogen 2.886 N/A GLU 262.A N GLY 257.A O no hydrogen 3.276 N/A VAL 265.A N TYR 309.A O no hydrogen 3.019 N/A TRP 267.A N ASP 307.A O no hydrogen 3.016 N/A TRP 267.A NE1 GLU 252.A OE2 no hydrogen 3.027 N/A GLN 268.A N THR 271.A OG1 no hydrogen 3.188 N/A GLY 270.A N ASP 307.A OD1 no hydrogen 3.186 N/A THR 271.A OG1 GLN 268.A O no hydrogen 3.351 N/A THR 272.A OG1 TYR 309.A OH no hydrogen 2.965 N/A TRP 274.A N THR 272.A O no hydrogen 2.983 N/A ILE 276.A N PRO 273.A O no hydrogen 3.097 N/A PHE 277.A N TRP 274.A O no hydrogen 3.079 N/A VAL 279.A N ASN 206.A OD1 no hydrogen 2.934 N/A ILE 280.A N ILE 297.A O no hydrogen 2.981 N/A SER 281.A N GLU 204.A O no hydrogen 2.995 N/A SER 281.A OG THR 296.A OG1 no hydrogen 2.874 N/A LEU 282.A N ILE 295.A O no hydrogen 2.958 N/A TYR 283.A N ARG 202.A O no hydrogen 2.732 N/A TYR 283.A OH GLU 204.A OE1 no hydrogen 3.215 N/A TYR 283.A OH GLU 204.A OE2 no hydrogen 3.200 N/A LEU 284.A N PHE 293.A O no hydrogen 2.766 N/A MET 285.A N ILE 199.A O no hydrogen 2.972 N/A GLY 286.A N GLN 291.A O no hydrogen 2.914 N/A GLN 291.A N VAL 288.A O no hydrogen 2.768 N/A SER 292.A N PHE 363.A O no hydrogen 2.820 N/A SER 292.A OG PHE 363.A O no hydrogen 3.265 N/A PHE 293.A N LEU 284.A O no hydrogen 3.062 N/A ARG 294.A N GLU 360.A O no hydrogen 2.867 N/A ARG 294.A NE GLU 360.A OE2 no hydrogen 2.685 N/A ARG 294.A NH1 TYR 283.A OH no hydrogen 2.889 N/A ARG 294.A NH2 GLU 360.A OE2 no hydrogen 2.769 N/A ILE 295.A N LEU 282.A O no hydrogen 2.925 N/A THR 296.A N ALA 358.A O no hydrogen 2.856 N/A THR 296.A OG1 SER 281.A OG no hydrogen 2.874 N/A ILE 297.A N ILE 280.A O no hydrogen 2.845 N/A LEU 298.A N GLN 301.A OE1 no hydrogen 3.190 N/A GLN 300.A N GLN 300.A OE1 no hydrogen 2.944 N/A GLN 300.A NE2 ASP 352.A OD1 no hydrogen 2.823 N/A GLN 301.A N LEU 298.A O no hydrogen 2.950 N/A GLN 301.A NE2 VAL 325.A O no hydrogen 3.524 N/A TYR 302.A N LEU 298.A O no hydrogen 3.409 N/A TYR 302.A OH PRO 278.A O no hydrogen 2.622 N/A LEU 303.A N PRO 299.A O no hydrogen 2.883 N/A ARG 304.A N LYS 310.A O no hydrogen 2.883 N/A ARG 304.A NH1 SER 13.A OG no hydrogen 3.166 N/A VAL 306.A N CYS 308.A O no hydrogen 2.723 N/A TYR 309.A N VAL 265.A O no hydrogen 2.899 N/A TYR 309.A OH THR 272.A OG1 no hydrogen 2.965 N/A LYS 310.A N ARG 304.A O no hydrogen 2.852 N/A ALA 312.A N TYR 302.A O no hydrogen 2.783 N/A SER 314.A N LEU 231.A O no hydrogen 3.035 N/A SER 316.A N LEU 233.A O no hydrogen 2.684 N/A SER 316.A OG GLY 319.A O no hydrogen 2.738 N/A THR 318.A N SER 316.A OG no hydrogen 3.147 N/A THR 318.A OG1 SER 316.A OG no hydrogen 3.336 N/A THR 320.A N LYS 221.A O no hydrogen 2.729 N/A THR 320.A OG1 TYR 217.A O no hydrogen 2.707 N/A VAL 321.A N ARG 232.A O no hydrogen 2.770 N/A MET 322.A N ILE 223.A O no hydrogen 2.883 N/A ALA 324.A N THR 228.A O no hydrogen 2.784 N/A VAL 325.A N THR 229.A O no hydrogen 3.168 N/A ILE 326.A N GLY 323.A O no hydrogen 2.956 N/A MET 327.A N GLY 323.A O no hydrogen 3.050 N/A GLU 328.A N ALA 324.A O no hydrogen 2.699 N/A GLY 329.A N ILE 326.A O no hydrogen 3.487 N/A PHE 330.A N MET 327.A O no hydrogen 2.827 N/A TYR 331.A N ALA 344.A O no hydrogen 2.684 N/A VAL 332.A N LEU 155.A O no hydrogen 3.017 N/A VAL 333.A N GLY 342.A O no hydrogen 2.876 N/A PHE 334.A N PHE 153.A O no hydrogen 2.723 N/A ASP 335.A N ARG 340.A O no hydrogen 2.793 N/A ARG 336.A N PHE 334.A O no hydrogen 2.966 N/A ARG 336.A NE ASN 151.A OD1 no hydrogen 2.963 N/A ARG 336.A NH1 TYR 196.A OH no hydrogen 2.933 N/A ARG 336.A NH2 ASP 141.A OD2 no hydrogen 3.482 N/A ALA 337.A N ASN 151.A O no hydrogen 3.098 N/A ARG 338.A N ASP 335.A O no hydrogen 3.256 N/A ARG 338.A N ASP 335.A OD1 no hydrogen 3.276 N/A LYS 339.A N ARG 336.A O no hydrogen 3.291 N/A ARG 340.A N ASP 335.A O no hydrogen 3.012 N/A ARG 340.A NE ASP 335.A OD2 no hydrogen 2.867 N/A ARG 340.A NH1 GLU 287.A OE2 no hydrogen 2.864 N/A ARG 340.A NH2 ASP 335.A OD2 no hydrogen 3.413 N/A ILE 341.A N THR 188.A O no hydrogen 2.894 N/A GLY 342.A N VAL 333.A O no hydrogen 2.902 N/A PHE 343.A N TRP 186.A O no hydrogen 2.721 N/A ALA 344.A N TYR 331.A O no hydrogen 3.107 N/A SER 346.A N GLY 329.A O no hydrogen 3.441 N/A ALA 347.A N LEU 180.A O no hydrogen 2.990 N/A CYS 348.A SG SER 346.A OG no hydrogen 3.380 N/A HIS 349.A N SER 346.A O no hydrogen 3.464 N/A HIS 349.A ND1 SER 346.A O no hydrogen 3.068 N/A HIS 349.A NE2 THR 356.A OG1 no hydrogen 2.884 N/A HIS 351.A ND1 HIS 349.A O no hydrogen 3.081 N/A PHE 354.A N ASP 352.A OD2 no hydrogen 3.256 N/A ARG 355.A N ASP 352.A OD2 no hydrogen 2.964 N/A ARG 355.A NH1 PHE 277.A O no hydrogen 2.521 N/A ARG 355.A NH2 TRP 274.A O no hydrogen 3.062 N/A ARG 355.A NH2 PHE 277.A O no hydrogen 2.948 N/A THR 356.A OG1 HIS 349.A NE2 no hydrogen 2.884 N/A THR 356.A OG1 ALA 357.A O no hydrogen 3.190 N/A ALA 358.A N THR 296.A O no hydrogen 3.217 N/A GLU 360.A N ARG 294.A O no hydrogen 3.006 N/A PHE 363.A N SER 292.A O no hydrogen 2.825 N/A THR 365.A N ASN 290.A O no hydrogen 2.633 N/A THR 365.A OG1 ASN 290.A O no hydrogen 3.065 N/A