Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3smp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 6.A NE1 PRO 2.A O no hydrogen 2.996 N/A GLY 8.A N VAL 19.A O no hydrogen 3.097 N/A MET 9.A N CYS 105.A O no hydrogen 3.097 N/A ASP 10.A N LYS 17.A O no hydrogen 2.905 N/A ILE 11.A N THR 107.A O no hydrogen 2.890 N/A GLY 12.A N LEU 15.A O no hydrogen 2.936 N/A VAL 16.A N PHE 80.A O no hydrogen 2.907 N/A LYS 17.A N ASP 10.A O no hydrogen 2.818 N/A LYS 17.A NZ LEU 15.A O no hydrogen 2.865 N/A LEU 18.A N ILE 78.A O no hydrogen 2.796 N/A VAL 19.A N GLY 8.A O no hydrogen 2.927 N/A TYR 20.A N HIS 76.A O no hydrogen 3.103 N/A PHE 21.A N TRP 6.A O no hydrogen 3.088 N/A GLU 22.A N ASN 74.A O no hydrogen 2.806 N/A LYS 24.A N LYS 72.A O no hydrogen 2.687 N/A GLU 31.A N THR 27.A O no hydrogen 2.910 N/A GLN 32.A N ALA 28.A O no hydrogen 3.082 N/A GLU 33.A N GLU 29.A O no hydrogen 2.827 N/A ASN 37.A ND2 SER 99.A OG no hydrogen 2.729 N/A LYS 39.A N VAL 35.A O no hydrogen 3.277 N/A SER 40.A N GLU 36.A O no hydrogen 3.085 N/A ILE 41.A N ASN 37.A O no hydrogen 3.347 N/A ARG 42.A N LEU 38.A O no hydrogen 3.010 N/A ARG 42.A NH1 GLU 34.A OE2 no hydrogen 3.342 N/A ARG 42.A NH2 GLU 34.A OE1 no hydrogen 2.883 N/A ARG 42.A NH2 GLU 34.A OE2 no hydrogen 3.499 N/A LYS 43.A N LYS 39.A O no hydrogen 3.074 N/A TYR 44.A N SER 40.A O no hydrogen 2.848 N/A LEU 45.A N ILE 41.A O no hydrogen 2.949 N/A THR 46.A N ARG 42.A O no hydrogen 3.028 N/A THR 46.A OG1.A ARG 42.A O no hydrogen 2.846 N/A THR 46.A OG1.B ARG 42.A O no hydrogen 2.817 N/A THR 46.A OG1.B LYS 43.A O no hydrogen 3.549 N/A SER 47.A N LYS 43.A O no hydrogen 3.001 N/A SER 47.A OG LYS 43.A O no hydrogen 2.699 N/A ASN 48.A ND2 TYR 44.A O no hydrogen 3.044 N/A TYR 51.A N GLY 55.A O no hydrogen 2.918 N/A TYR 51.A OH LEU 45.A O no hydrogen 2.585 N/A GLY 55.A N TYR 51.A O no hydrogen 2.901 N/A ILE 56.A N ARG 79.A O no hydrogen 3.045 N/A ARG 57.A N THR 49.A O no hydrogen 2.829 N/A ARG 57.A NE ASN 48.A O no hydrogen 3.269 N/A ARG 57.A NE TYR 51.A OH no hydrogen 3.062 N/A ARG 57.A NH2 ASN 48.A O no hydrogen 2.771 N/A ASP 58.A N PHE 77.A O no hydrogen 3.042 N/A HIS 60.A N ASP 58.A OD1 no hydrogen 3.174 N/A LEU 61.A N ASP 58.A O no hydrogen 3.041 N/A GLU 62.A N VAL 59.A O no hydrogen 3.208 N/A LEU 63.A N LEU 75.A O no hydrogen 3.063 N/A LYS 64.A N ASN 148.A OD1 no hydrogen 2.903 N/A LEU 66.A N GLY 73.A O no hydrogen 2.878 N/A MET 68.A N ARG 71.A O no hydrogen 2.968 N/A ARG 71.A N MET 68.A O no hydrogen 3.115 N/A ARG 71.A NE ASP 25.A OD1 no hydrogen 3.120 N/A ARG 71.A NH1 ASP 25.A O no hydrogen 3.127 N/A ARG 71.A NH1 ASP 25.A OD1 no hydrogen 2.996 N/A LYS 72.A N ASP 25.A OD2 no hydrogen 2.791 N/A GLY 73.A N LEU 66.A O no hydrogen 2.833 N/A ASN 74.A N GLU 22.A O no hydrogen 2.887 N/A LEU 75.A N LEU 63.A O no hydrogen 2.900 N/A HIS 76.A N TYR 20.A O no hydrogen 2.838 N/A HIS 76.A NE2 GLU 22.A OE1 no hydrogen 2.618 N/A ILE 78.A N LEU 18.A O no hydrogen 2.786 N/A ARG 79.A N ILE 56.A O no hydrogen 3.008 N/A ARG 79.A NE TYR 346.A OH no hydrogen 3.533 N/A PHE 80.A N VAL 16.A O no hydrogen 3.060 N/A SER 82.A N THR 14.A O no hydrogen 2.756 N/A SER 82.A OG GLY 12.A O no hydrogen 2.824 N/A ALA 84.A N PRO 81.A O no hydrogen 2.866 N/A MET 85.A N SER 82.A O no hydrogen 2.973 N/A PHE 88.A N ALA 84.A O no hydrogen 3.055 N/A ILE 89.A N MET 85.A O no hydrogen 3.030 N/A GLN 90.A N HIS 86.A O no hydrogen 3.146 N/A MET 91.A N ARG 87.A O no hydrogen 2.967 N/A GLY 92.A N PHE 88.A O no hydrogen 3.012 N/A SER 93.A N ILE 89.A O no hydrogen 3.065 N/A SER 93.A OG ILE 121.A O no hydrogen 3.359 N/A GLU 94.A N GLN 90.A O no hydrogen 2.805 N/A LYS 95.A N MET 91.A O no hydrogen 2.809 N/A ASN 96.A N SER 93.A O no hydrogen 3.075 N/A PHE 97.A N GLY 92.A O no hydrogen 2.927 N/A SER 99.A N ASN 96.A O no hydrogen 3.310 N/A SER 99.A OG ASN 96.A O no hydrogen 2.697 N/A LEU 100.A N PHE 97.A O no hydrogen 2.797 N/A HIS 101.A N PHE 97.A O no hydrogen 3.098 N/A HIS 101.A NE2 PRO 5.A O no hydrogen 2.903 N/A LEU 104.A N GLN 125.A O no hydrogen 3.229 N/A ALA 106.A N HIS 127.A O no hydrogen 2.975 N/A THR 107.A N MET 9.A O no hydrogen 2.902 N/A THR 107.A OG1 LEU 129.A O no hydrogen 2.927 N/A GLY 110.A N.A ILE 11.A O no hydrogen 2.959 N/A ALA 111.A N GLY 108.A O no hydrogen 3.061 N/A PHE 112.A N GLY 109.A O.B no hydrogen 3.115 N/A PHE 114.A N GLY 110.A O.A no hydrogen 3.346 N/A GLU 115.A N PHE 112.A O no hydrogen 3.440 N/A PHE 118.A N PHE 114.A O no hydrogen 3.045 N/A ARG 119.A N GLU 115.A O no hydrogen 3.170 N/A ARG 119.A NE GLN 125.A OE1 no hydrogen 3.539 N/A ARG 119.A NH2 GLN 125.A OE1 no hydrogen 3.313 N/A MET 120.A N GLU 116.A O no hydrogen 2.904 N/A ILE 121.A N ASP 117.A O no hydrogen 2.854 N/A ALA 122.A N PHE 118.A O no hydrogen 3.083 N/A ASP 123.A N ARG 119.A O no hydrogen 3.024 N/A LEU 124.A N PHE 118.A O no hydrogen 3.056 N/A GLN 125.A N THR 102.A O no hydrogen 3.012 N/A GLN 125.A NE2 GLU 115.A OE2 no hydrogen 3.280 N/A GLN 125.A NE2 LEU 126.A O no hydrogen 2.653 N/A HIS 127.A N LEU 104.A O no hydrogen 2.942 N/A LYS 128.A NZ GLU 115.A OE1 no hydrogen 2.853 N/A LYS 128.A NZ GLU 115.A OE2 no hydrogen 3.489 N/A LEU 129.A N ALA 106.A O no hydrogen 2.831 N/A GLU 131.A N GLU 131.A OE1 no hydrogen 2.843 N/A ASP 133.A N ASP 130.A OD2 no hydrogen 2.910 N/A CYS 134.A N ASP 130.A O no hydrogen 3.137 N/A CYS 134.A SG ASP 130.A O no hydrogen 3.403 N/A LEU 135.A N GLU 131.A O no hydrogen 2.867 N/A ILE 136.A N LEU 132.A O no hydrogen 2.996 N/A GLN 137.A N ASP 133.A O no hydrogen 3.040 N/A GLN 137.A NE2.A LYS 192.A O no hydrogen 2.523 N/A GLY 138.A N CYS 134.A O no hydrogen 2.958 N/A LEU 139.A N LEU 135.A O no hydrogen 2.953 N/A LEU 140.A N ILE 136.A O no hydrogen 2.933 N/A TYR 141.A N GLN 137.A O no hydrogen 2.847 N/A VAL 142.A N GLY 138.A O no hydrogen 2.750 N/A ASP 143.A N LEU 139.A O no hydrogen 2.889 N/A SER 144.A N LEU 140.A O no hydrogen 2.963 N/A SER 144.A OG TYR 141.A O no hydrogen 2.674 N/A VAL 145.A N TYR 141.A O no hydrogen 3.154 N/A VAL 145.A N VAL 142.A O no hydrogen 3.219 N/A GLY 146.A N VAL 142.A O no hydrogen 2.923 N/A PHE 147.A N LYS 150.A O no hydrogen 2.709 N/A ASN 148.A ND2 GLU 62.A O no hydrogen 2.982 N/A LYS 150.A N PHE 147.A O no hydrogen 2.991 N/A CYS 153.A SG.A PHE 340.A O no hydrogen 3.917 N/A CYS 153.A SG.B ASP 143.A OD1 no hydrogen 3.548 N/A TYR 154.A N PHE 340.A O no hydrogen 2.973 N/A TYR 155.A N LYS 168.A O no hydrogen 2.771 N/A GLU 157.A N GLN 166.A O no hydrogen 2.828 N/A ASN 161.A N ASN 158.A O no hydrogen 3.158 N/A LEU 164.A N ASN 161.A O no hydrogen 2.795 N/A CYS 165.A N ASN 161.A O no hydrogen 2.652 N/A CYS 165.A SG PRO 159.A O no hydrogen 3.542 N/A GLN 166.A N GLU 157.A O no hydrogen 3.040 N/A LYS 167.A NZ.A GLU 342.A OE1 no hydrogen 3.018 N/A LYS 167.A NZ.A GLU 342.A OE2 no hydrogen 2.894 N/A LYS 168.A N TYR 155.A O no hydrogen 2.763 N/A TYR 170.A N CYS 153.A O no hydrogen 2.917 N/A MET 175.A N VAL 189.A O no hydrogen 3.063 N/A LEU 176.A N ARG 306.A O no hydrogen 2.864 N/A LEU 177.A N LEU 187.A O no hydrogen 2.835 N/A VAL 178.A N VAL 308.A O no hydrogen 2.804 N/A ASN 179.A N SER 185.A O no hydrogen 3.029 N/A MET 180.A N VAL 310.A O no hydrogen 2.996 N/A GLY 181.A N GLY 183.A O no hydrogen 2.888 N/A VAL 184.A N THR 201.A O no hydrogen 3.075 N/A SER 185.A N ASN 179.A O no hydrogen 3.118 N/A ILE 186.A N THR 199.A O no hydrogen 2.766 N/A LEU 187.A N LEU 177.A O no hydrogen 2.965 N/A ALA 188.A N LYS 196.A O no hydrogen 2.894 N/A VAL 189.A N MET 175.A O no hydrogen 2.972 N/A TYR 190.A N ASN 194.A O no hydrogen 2.958 N/A TYR 190.A OH GLU 302.A OE1 no hydrogen 3.166 N/A SER 191.A N ASN 194.A O no hydrogen 3.441 N/A ASN 194.A N SER 191.A O no hydrogen 3.357 N/A TYR 195.A OH ASP 133.A OD1.B no hydrogen 2.480 N/A LYS 196.A N ALA 188.A O no hydrogen 2.983 N/A ARG 197.A NE SER 185.A OG no hydrogen 2.747 N/A VAL 198.A N ILE 186.A O no hydrogen 2.793 N/A THR 199.A N ILE 186.A O no hydrogen 3.374 N/A THR 201.A N VAL 184.A O no hydrogen 3.018 N/A LEU 203.A N THR 201.A OG1 no hydrogen 3.003 N/A GLY 204.A N THR 207.A OG1 no hydrogen 3.389 N/A GLY 206.A N SER 182.A O no hydrogen 2.955 N/A THR 207.A OG1 SER 202.A O no hydrogen 2.987 N/A PHE 208.A N GLY 204.A O no hydrogen 2.923 N/A LEU 209.A N GLY 205.A O no hydrogen 2.934 N/A GLY 210.A N GLY 206.A O no hydrogen 2.965 N/A LEU 211.A N THR 207.A O no hydrogen 2.851 N/A CYS 212.A N PHE 208.A O no hydrogen 2.761 N/A CYS 213.A N LEU 209.A O no hydrogen 2.844 N/A CYS 213.A SG LEU 209.A O no hydrogen 3.138 N/A CYS 213.A SG CYS 218.A O no hydrogen 3.372 N/A LEU 214.A N GLY 210.A O no hydrogen 3.117 N/A LEU 215.A N LEU 211.A O no hydrogen 2.874 N/A THR 216.A N CYS 212.A O no hydrogen 2.893 N/A THR 216.A OG1 CYS 212.A O no hydrogen 2.897 N/A GLY 217.A N CYS 213.A O no hydrogen 3.024 N/A CYS 218.A N THR 216.A OG1 no hydrogen 3.177 N/A CYS 218.A SG THR 216.A OG1 no hydrogen 3.218 N/A GLU 219.A N GLU 223.A OE2 no hydrogen 3.086 N/A GLU 223.A N THR 220.A OG1 no hydrogen 3.295 N/A ALA 224.A N THR 220.A O no hydrogen 2.935 N/A LEU 225.A N PHE 221.A O no hydrogen 2.901 N/A GLU 226.A N GLU 222.A O no hydrogen 3.061 N/A MET 227.A N GLU 223.A O no hydrogen 3.119 N/A ALA 228.A N ALA 224.A O no hydrogen 2.875 N/A ALA 229.A N LEU 225.A O no hydrogen 2.798 N/A LYS 230.A N GLU 226.A O no hydrogen 3.281 N/A LYS 230.A N MET 227.A O no hydrogen 2.913 N/A GLY 231.A N MET 227.A O no hydrogen 3.006 N/A ASP 232.A N ASP 278.A OD1 no hydrogen 2.790 N/A THR 234.A N ASP 232.A OD1 no hydrogen 3.140 N/A THR 234.A OG1 ASP 232.A OD1 no hydrogen 2.587 N/A THR 234.A OG1 ASP 232.A OD2 no hydrogen 3.471 N/A ASN 235.A N ASP 232.A O no hydrogen 3.358 N/A ASN 235.A ND2 ASP 278.A OD2 no hydrogen 2.814 N/A VAL 236.A N SER 233.A O no hydrogen 2.775 N/A ASP 237.A N SER 233.A O no hydrogen 2.874 N/A LYS 238.A N SER 260.A O no hydrogen 3.035 N/A LEU 239.A N ASP 242.A OD2 no hydrogen 2.737 N/A VAL 240.A N ALA 257.A O no hydrogen 2.970 N/A LYS 241.A N GLY 255.A O no hydrogen 2.824 N/A ASP 242.A N LEU 239.A O no hydrogen 2.879 N/A ILE 243.A N VAL 240.A O no hydrogen 2.922 N/A TYR 244.A N VAL 240.A O no hydrogen 3.031 N/A GLY 245.A N LYS 241.A O no hydrogen 2.886 N/A TYR 248.A N LEU 253.A O no hydrogen 2.872 N/A ARG 250.A NH2 ARG 250.A O no hydrogen 2.933 N/A GLY 252.A N GLU 249.A O no hydrogen 2.986 N/A LEU 253.A N TYR 248.A O no hydrogen 3.219 N/A GLY 255.A N ASP 247.A OD1 no hydrogen 2.653 N/A ALA 257.A N GLN 254.A O no hydrogen 3.030 N/A ALA 259.A N LYS 238.A O no hydrogen 2.778 N/A SER 260.A N LYS 238.A O no hydrogen 3.025 N/A PHE 262.A N ASP 237.A OD1 no hydrogen 2.851 N/A GLY 263.A N SER 260.A O no hydrogen 2.956 N/A ASN 264.A N VAL 236.A O no hydrogen 3.073 N/A ASN 264.A ND2 ASN 235.A O no hydrogen 2.808 N/A MET 265.A N PHE 262.A O no hydrogen 3.041 N/A MET 266.A N GLY 263.A O no hydrogen 3.363 N/A SER 267.A N ASN 264.A O no hydrogen 2.990 N/A LYS 270.A N SER 267.A OG no hydrogen 3.059 N/A ARG 271.A N SER 267.A O no hydrogen 2.873 N/A ARG 271.A NH1 MET 265.A O no hydrogen 2.977 N/A ASP 272.A N LYS 268.A O no hydrogen 2.981 N/A SER 273.A N LYS 270.A O no hydrogen 3.286 N/A SER 273.A OG GLU 269.A O no hydrogen 3.181 N/A SER 273.A OG LYS 270.A O no hydrogen 3.235 N/A ILE 274.A N ARG 271.A O no hydrogen 3.451 N/A GLU 277.A N GLU 277.A OE1 no hydrogen 3.062 N/A ASP 278.A N SER 275.A OG no hydrogen 3.150 N/A LEU 279.A N SER 275.A O no hydrogen 3.177 N/A ALA 280.A N LYS 276.A O no hydrogen 2.859 N/A ARG 281.A N GLU 277.A O no hydrogen 2.954 N/A ARG 281.A NH1 ALA 228.A O no hydrogen 3.009 N/A ALA 282.A N ASP 278.A O no hydrogen 2.911 N/A THR 283.A N LEU 279.A O no hydrogen 2.864 N/A THR 283.A OG1 LEU 279.A O no hydrogen 2.773 N/A LEU 284.A N ALA 280.A O no hydrogen 3.143 N/A VAL 285.A N ARG 281.A O no hydrogen 2.856 N/A THR 286.A N ALA 282.A O no hydrogen 2.917 N/A THR 286.A OG1 ALA 282.A O no hydrogen 2.721 N/A ILE 287.A N THR 283.A O no hydrogen 3.152 N/A THR 288.A N LEU 284.A O no hydrogen 2.905 N/A THR 288.A OG1 LEU 284.A O no hydrogen 2.962 N/A THR 288.A OG1 VAL 285.A O no hydrogen 3.260 N/A ASN 289.A N VAL 285.A O no hydrogen 2.929 N/A ASN 290.A N THR 286.A O no hydrogen 3.163 N/A ILE 291.A N ILE 287.A O no hydrogen 3.047 N/A GLY 292.A N THR 288.A O no hydrogen 2.943 N/A SER 293.A N ASN 289.A O no hydrogen 3.163 N/A ILE 294.A N ASN 290.A O no hydrogen 3.007 N/A ALA 295.A N ILE 291.A O no hydrogen 2.823 N/A ARG 296.A N GLY 292.A O no hydrogen 2.924 N/A ARG 296.A NH1.A ARG 296.A O no hydrogen 3.293 N/A MET 297.A N SER 293.A O no hydrogen 2.942 N/A CYS 298.A N ILE 294.A O no hydrogen 2.900 N/A ALA 299.A N ALA 295.A O no hydrogen 2.932 N/A LEU 300.A N ARG 296.A O no hydrogen 3.026 N/A ASN 301.A N MET 297.A O no hydrogen 2.793 N/A GLU 302.A N CYS 298.A O no hydrogen 2.921 N/A ASN 303.A N LEU 300.A O no hydrogen 3.220 N/A ILE 304.A N ALA 299.A O no hydrogen 2.997 N/A VAL 308.A N LEU 176.A O no hydrogen 2.837 N/A PHE 309.A N LEU 339.A O no hydrogen 2.866 N/A VAL 310.A N VAL 178.A O no hydrogen 2.901 N/A GLY 311.A N GLU 344.A OE2 no hydrogen 2.821 N/A LEU 314.A N GLY 311.A O no hydrogen 3.037 N/A ARG 315.A N ASN 312.A O no hydrogen 3.265 N/A ARG 315.A NE GLU 344.A OE1 no hydrogen 3.097 N/A ARG 315.A NE GLU 344.A OE2 no hydrogen 3.524 N/A ARG 315.A NH2 GLU 344.A OE2 no hydrogen 3.102 N/A VAL 319.A N ASN 317.A OD1 no hydrogen 2.907 N/A SER 320.A OG PHE 313.A O no hydrogen 3.346 N/A LYS 322.A N MET 318.A O no hydrogen 3.264 N/A LEU 323.A N VAL 319.A O no hydrogen 3.043 N/A LEU 324.A N SER 320.A O no hydrogen 3.063 N/A ALA 325.A N MET 321.A O no hydrogen 2.924 N/A TYR 326.A N LYS 322.A O no hydrogen 3.020 N/A ALA 327.A N LEU 323.A O no hydrogen 2.899 N/A MET 328.A N LEU 324.A O no hydrogen 3.015 N/A ASP 329.A N ALA 325.A O no hydrogen 3.198 N/A PHE 330.A N TYR 326.A O no hydrogen 2.820 N/A TRP 331.A N ALA 327.A O no hydrogen 2.866 N/A TRP 331.A NE1 ASN 289.A O no hydrogen 2.877 N/A SER 332.A N MET 328.A O no hydrogen 2.990 N/A SER 332.A OG MET 328.A O no hydrogen 2.725 N/A SER 332.A OG LEU 336.A O no hydrogen 3.091 N/A LYS 333.A N PHE 330.A O no hydrogen 3.082 N/A GLY 334.A N ASP 329.A O no hydrogen 3.000 N/A GLN 335.A N SER 332.A O no hydrogen 3.025 N/A GLN 335.A NE2 LYS 333.A O no hydrogen 3.683 N/A LEU 336.A N SER 332.A OG no hydrogen 2.874 N/A LEU 339.A N VAL 307.A O no hydrogen 3.045 N/A PHE 340.A N TYR 154.A O no hydrogen 2.902 N/A GLU 342.A N GLU 152.A O no hydrogen 2.885 N/A HIS 343.A N GLU 152.A OE2 no hydrogen 2.689 N/A HIS 343.A ND1 GLU 152.A OE1 no hydrogen 2.527 N/A HIS 343.A NE2 LEU 61.A O no hydrogen 2.722 N/A GLU 344.A N LEU 341.A O no hydrogen 3.192 N/A TYR 346.A N HIS 343.A O no hydrogen 3.011 N/A VAL 350.A N TYR 346.A O no hydrogen 3.021 N/A GLY 351.A N PHE 347.A O no hydrogen 2.797 N/A ALA 352.A N GLY 348.A O no hydrogen 2.899 N/A LEU 353.A N ALA 349.A O no hydrogen 2.931 N/A LEU 354.A N VAL 350.A O no hydrogen 2.964 N/A GLU 355.A N GLY 351.A O no hydrogen 3.204 N/A GLU 355.A N ALA 352.A O no hydrogen 3.149 N/A LEU 356.A N LEU 353.A O no hydrogen 3.097 N/A PHE 357.A N LEU 354.A O no hydrogen 3.177 N/A LYS 358.A N GLU 355.A O no hydrogen 3.110 N/A