Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sms_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N SER 16.A O no hydrogen 2.927 N/A MET 6.A N CYS 95.A O no hydrogen 3.031 N/A ASP 7.A N LYS 14.A O no hydrogen 2.788 N/A ILE 8.A N THR 97.A O no hydrogen 2.974 N/A GLY 9.A N LEU 12.A O no hydrogen 3.022 N/A THR 11.A OG1 SER 175.A OG no hydrogen 2.801 N/A VAL 13.A N PHE 77.A O no hydrogen 2.615 N/A LYS 14.A N ASP 7.A O no hydrogen 2.890 N/A LYS 14.A NZ LEU 12.A O no hydrogen 2.762 N/A LEU 15.A N ILE 75.A O no hydrogen 2.632 N/A SER 16.A N GLY 5.A O no hydrogen 2.895 N/A SER 16.A OG GLY 5.A O no hydrogen 3.432 N/A SER 16.A OG ALA 342.A O no hydrogen 3.139 N/A TYR 17.A N HIS 73.A O no hydrogen 3.043 N/A PHE 18.A N TRP 3.A O no hydrogen 3.038 N/A GLU 19.A N ASN 71.A O no hydrogen 2.931 N/A ILE 21.A N ARG 69.A O no hydrogen 3.030 N/A GLU 27.A N THR 24.A O no hydrogen 3.145 N/A GLU 28.A N THR 24.A O no hydrogen 3.078 N/A GLU 28.A N ALA 25.A O no hydrogen 3.168 N/A GLN 29.A N ALA 25.A O no hydrogen 3.478 N/A GLU 31.A N GLU 27.A O no hydrogen 3.204 N/A LYS 36.A N VAL 32.A O no hydrogen 3.060 N/A SER 37.A N GLU 33.A O no hydrogen 2.928 N/A SER 37.A OG SER 34.A O no hydrogen 3.333 N/A ILE 38.A N SER 34.A O no hydrogen 3.317 N/A ARG 39.A N LEU 35.A O no hydrogen 2.989 N/A LYS 40.A N LYS 36.A O no hydrogen 2.986 N/A TYR 41.A N SER 37.A O no hydrogen 2.882 N/A LEU 42.A N ILE 38.A O no hydrogen 3.007 N/A THR 43.A N ARG 39.A O no hydrogen 3.178 N/A THR 43.A OG1 ARG 39.A O no hydrogen 3.030 N/A SER 44.A N LYS 40.A O no hydrogen 2.970 N/A SER 44.A OG LYS 40.A O no hydrogen 3.016 N/A ASN 45.A ND2 TYR 41.A O no hydrogen 2.719 N/A TYR 48.A N GLY 52.A O no hydrogen 2.899 N/A TYR 48.A OH LEU 42.A O no hydrogen 2.614 N/A TYR 48.A OH ASN 45.A O no hydrogen 3.035 N/A THR 51.A OG1 ASP 81.A OD2 no hydrogen 2.739 N/A GLY 52.A N TYR 48.A O no hydrogen 2.927 N/A ILE 53.A N ARG 76.A O no hydrogen 2.966 N/A ARG 54.A N VAL 46.A O no hydrogen 2.933 N/A ARG 54.A NE ASN 45.A O no hydrogen 3.131 N/A ARG 54.A NH1 ASN 45.A O no hydrogen 3.102 N/A ASP 55.A N PHE 74.A O no hydrogen 2.823 N/A VAL 56.A N ARG 54.A O no hydrogen 3.048 N/A LEU 58.A N ASP 55.A O no hydrogen 2.973 N/A GLU 59.A N VAL 56.A O no hydrogen 3.047 N/A LEU 60.A N LEU 72.A O no hydrogen 3.055 N/A LYS 61.A N ASN 138.A OD1 no hydrogen 3.058 N/A LYS 61.A NZ GLU 59.A OE2 no hydrogen 2.763 N/A ASP 62.A N ASN 71.A OD1 no hydrogen 3.038 N/A LEU 63.A N GLY 70.A O no hydrogen 2.717 N/A LEU 65.A N ARG 68.A O no hydrogen 2.700 N/A ARG 68.A N LEU 65.A O no hydrogen 3.106 N/A ARG 68.A NH1 GLU 27.A OE2 no hydrogen 2.923 N/A ARG 68.A NH2 GLU 27.A OE1 no hydrogen 2.563 N/A ARG 69.A N ASP 22.A OD2 no hydrogen 3.055 N/A GLY 70.A N LEU 63.A O no hydrogen 2.787 N/A ASN 71.A N GLU 19.A O no hydrogen 2.891 N/A ASN 71.A ND2 GLU 19.A OE1 no hydrogen 3.174 N/A LEU 72.A N LEU 60.A O no hydrogen 2.759 N/A HIS 73.A N TYR 17.A O no hydrogen 2.813 N/A HIS 73.A NE2 GLU 19.A OE1 no hydrogen 2.810 N/A ILE 75.A N LEU 15.A O no hydrogen 2.793 N/A ARG 76.A N ILE 53.A O no hydrogen 2.972 N/A ARG 76.A NE ASP 55.A OD2 no hydrogen 2.743 N/A ARG 76.A NH1 ASP 55.A OD1 no hydrogen 3.114 N/A ARG 76.A NH1 ASP 55.A OD2 no hydrogen 3.554 N/A PHE 77.A N VAL 13.A O no hydrogen 3.040 N/A THR 79.A N THR 11.A O no hydrogen 2.904 N/A THR 79.A OG1 GLY 9.A O no hydrogen 2.850 N/A ASP 81.A N PRO 78.A O no hydrogen 2.788 N/A LEU 82.A N THR 79.A O no hydrogen 2.848 N/A THR 84.A N ASP 81.A O no hydrogen 3.215 N/A ILE 86.A N LEU 82.A O no hydrogen 3.074 N/A GLN 87.A N PRO 83.A O no hydrogen 2.930 N/A MET 88.A N THR 84.A O no hydrogen 3.018 N/A GLY 89.A N PHE 85.A O no hydrogen 3.124 N/A ARG 90.A N ILE 86.A O no hydrogen 2.970 N/A ARG 90.A NH2 THR 110.A OG1 no hydrogen 3.006 N/A ASP 91.A N GLN 87.A O no hydrogen 2.693 N/A LEU 94.A N HIS 115.A O no hydrogen 2.821 N/A CYS 95.A SG HIS 117.A ND1 no hydrogen 3.562 N/A ALA 96.A N HIS 117.A O no hydrogen 2.961 N/A THR 97.A N MET 6.A O no hydrogen 2.836 N/A THR 97.A OG1 LEU 119.A O no hydrogen 2.673 N/A GLY 98.A N THR 97.A OG1 no hydrogen 2.729 N/A GLY 100.A N ILE 8.A O no hydrogen 2.946 N/A ALA 101.A N GLY 98.A O no hydrogen 3.224 N/A TYR 102.A N GLY 99.A O no hydrogen 3.010 N/A LYS 103.A N GLY 99.A O no hydrogen 3.105 N/A PHE 104.A N GLY 100.A O no hydrogen 2.942 N/A GLU 105.A N TYR 102.A O no hydrogen 3.256 N/A ASP 107.A N PHE 104.A O no hydrogen 2.921 N/A PHE 108.A N PHE 104.A O no hydrogen 2.984 N/A ARG 109.A N GLU 105.A O no hydrogen 3.106 N/A THR 110.A N ASP 107.A O no hydrogen 3.094 N/A THR 110.A OG1 ASP 107.A O no hydrogen 2.612 N/A ILE 111.A N PHE 108.A O no hydrogen 2.984 N/A LEU 114.A N ILE 111.A O no hydrogen 3.219 N/A HIS 115.A N THR 92.A O no hydrogen 3.067 N/A HIS 117.A N LEU 94.A O no hydrogen 2.834 N/A LYS 118.A NZ GLU 105.A OE2 no hydrogen 3.087 N/A LEU 119.A N ALA 96.A O no hydrogen 2.865 N/A LEU 122.A N ASP 120.A OD2 no hydrogen 2.972 N/A ASP 123.A N ASP 120.A OD2 no hydrogen 2.864 N/A CYS 124.A N ASP 120.A O no hydrogen 2.937 N/A CYS 124.A SG ASP 120.A O no hydrogen 3.164 N/A LEU 125.A N GLU 121.A O no hydrogen 3.228 N/A VAL 126.A N LEU 122.A O no hydrogen 3.188 N/A LYS 127.A N ASP 123.A O no hydrogen 3.046 N/A GLY 128.A N CYS 124.A O no hydrogen 2.745 N/A LEU 129.A N LEU 125.A O no hydrogen 2.923 N/A LEU 130.A N VAL 126.A O no hydrogen 3.141 N/A TYR 131.A N LYS 127.A O no hydrogen 2.979 N/A ILE 132.A N GLY 128.A O no hydrogen 2.796 N/A ASP 133.A N LEU 129.A O no hydrogen 2.972 N/A SER 134.A N LEU 130.A O no hydrogen 3.044 N/A SER 134.A OG TYR 131.A O no hydrogen 2.672 N/A VAL 135.A N TYR 131.A O no hydrogen 3.041 N/A VAL 135.A N ILE 132.A O no hydrogen 3.273 N/A SER 136.A N ILE 132.A O no hydrogen 3.124 N/A SER 136.A OG VAL 135.A O no hydrogen 2.501 N/A PHE 137.A N GLN 140.A O no hydrogen 2.834 N/A ASN 138.A ND2 GLU 59.A O no hydrogen 2.991 N/A GLY 139.A N SER 136.A OG no hydrogen 3.054 N/A GLN 140.A N PHE 137.A O no hydrogen 2.978 N/A CYS 143.A SG PHE 333.A O no hydrogen 3.540 N/A TYR 144.A N PHE 333.A O no hydrogen 2.843 N/A TYR 145.A N MET 158.A O no hydrogen 2.808 N/A ALA 147.A N GLN 156.A O no hydrogen 2.898 N/A SER 150.A OG.A ASP 322.A OD2 no hydrogen 2.565 N/A GLU 151.A N ASN 148.A O no hydrogen 3.123 N/A ARG 154.A N GLU 151.A O no hydrogen 2.857 N/A ARG 154.A NH1 GLU 151.A OE1 no hydrogen 3.175 N/A CYS 155.A N GLU 151.A O no hydrogen 2.773 N/A GLN 156.A N ALA 147.A O no hydrogen 3.106 N/A LYS 157.A NZ GLU 335.A OE1 no hydrogen 3.203 N/A LYS 157.A NZ GLU 335.A OE2 no hydrogen 2.767 N/A MET 158.A N TYR 145.A O no hydrogen 2.868 N/A PHE 160.A N CYS 143.A O no hydrogen 2.861 N/A ASP 163.A N ASN 161.A OD1 no hydrogen 3.183 N/A LEU 168.A N VAL 182.A O no hydrogen 3.143 N/A LEU 169.A N ARG 299.A O no hydrogen 3.130 N/A VAL 170.A N LEU 180.A O no hydrogen 2.773 N/A VAL 171.A N VAL 301.A O no hydrogen 2.816 N/A ASN 172.A N SER 178.A O no hydrogen 2.932 N/A ILE 173.A N VAL 303.A O no hydrogen 2.853 N/A GLY 174.A N GLY 176.A O no hydrogen 2.826 N/A SER 175.A OG THR 11.A OG1 no hydrogen 2.801 N/A VAL 177.A N THR 194.A O no hydrogen 2.870 N/A SER 178.A N ASN 172.A O no hydrogen 3.285 N/A ILE 179.A N THR 192.A O no hydrogen 2.815 N/A LEU 180.A N VAL 170.A O no hydrogen 2.775 N/A ALA 181.A N LYS 189.A O no hydrogen 2.855 N/A VAL 182.A N LEU 168.A O no hydrogen 2.817 N/A HIS 183.A N ASN 187.A O no hydrogen 2.862 N/A SER 184.A N ASN 187.A O no hydrogen 3.133 N/A ASN 187.A N SER 184.A O no hydrogen 3.376 N/A TYR 188.A OH ASP 123.A OD1 no hydrogen 2.591 N/A LYS 189.A N ALA 181.A O no hydrogen 3.117 N/A ARG 190.A NE SER 178.A OG no hydrogen 2.947 N/A ARG 190.A NH2 SER 178.A OG no hydrogen 3.313 N/A VAL 191.A N ILE 179.A O no hydrogen 2.802 N/A THR 192.A N ILE 179.A O no hydrogen 3.522 N/A THR 192.A OG1 GLY 193.A O no hydrogen 3.455 N/A THR 194.A N VAL 177.A O no hydrogen 3.036 N/A LEU 196.A N THR 194.A OG1 no hydrogen 3.200 N/A GLY 197.A N THR 200.A OG1 no hydrogen 3.131 N/A GLY 198.A N GLY 174.A O no hydrogen 2.745 N/A GLY 199.A N SER 175.A O no hydrogen 3.064 N/A THR 200.A N GLY 197.A O no hydrogen 2.935 N/A PHE 201.A N GLY 197.A O no hydrogen 3.081 N/A LEU 202.A N GLY 198.A O no hydrogen 3.258 N/A GLY 203.A N GLY 199.A O no hydrogen 2.829 N/A LEU 204.A N THR 200.A O no hydrogen 2.916 N/A CYS 205.A N PHE 201.A O no hydrogen 3.006 N/A SER 206.A N LEU 202.A O no hydrogen 2.860 N/A SER 206.A OG LEU 202.A O no hydrogen 2.660 N/A SER 206.A OG CYS 211.A O no hydrogen 3.325 N/A LEU 207.A N GLY 203.A O no hydrogen 3.250 N/A LEU 208.A N LEU 204.A O no hydrogen 2.766 N/A THR 209.A N CYS 205.A O no hydrogen 2.772 N/A THR 209.A OG1 CYS 205.A O no hydrogen 2.793 N/A GLY 210.A N SER 206.A O no hydrogen 2.914 N/A CYS 211.A N THR 209.A OG1 no hydrogen 3.117 N/A CYS 211.A SG THR 209.A OG1 no hydrogen 3.399 N/A GLU 212.A N GLU 216.A OE2 no hydrogen 2.803 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.736 N/A GLU 216.A N SER 213.A OG no hydrogen 3.122 N/A ALA 217.A N SER 213.A O no hydrogen 3.083 N/A LEU 218.A N PHE 214.A O no hydrogen 3.045 N/A GLU 219.A N GLU 215.A O no hydrogen 3.080 N/A MET 220.A N GLU 216.A O no hydrogen 3.006 N/A ALA 221.A N ALA 217.A O no hydrogen 2.984 N/A SER 222.A N LEU 218.A O no hydrogen 2.873 N/A SER 222.A OG GLU 219.A O no hydrogen 2.879 N/A LYS 223.A N MET 220.A O no hydrogen 2.975 N/A GLY 224.A N ALA 221.A O no hydrogen 2.981 N/A ASP 225.A N ASP 271.A OD1 no hydrogen 2.839 N/A THR 227.A N ASP 225.A OD1 no hydrogen 3.141 N/A THR 227.A OG1 ASP 225.A OD1 no hydrogen 2.743 N/A THR 227.A OG1 ASP 225.A OD2 no hydrogen 3.108 N/A GLN 228.A N ASP 225.A O no hydrogen 3.128 N/A GLN 228.A NE2 ASP 225.A OD2 no hydrogen 3.225 N/A ALA 229.A N SER 226.A O no hydrogen 3.196 N/A ASP 230.A N SER 226.A O no hydrogen 3.021 N/A LYS 231.A N SER 253.A O no hydrogen 2.983 N/A LYS 231.A NZ TYR 260.A OH no hydrogen 2.998 N/A LEU 232.A N ASP 235.A OD2 no hydrogen 2.740 N/A VAL 233.A N ALA 250.A O no hydrogen 2.831 N/A ARG 234.A N GLY 248.A O no hydrogen 2.803 N/A ASP 235.A N LEU 232.A O no hydrogen 2.925 N/A ILE 236.A N VAL 233.A O no hydrogen 3.035 N/A TYR 237.A N VAL 233.A O no hydrogen 2.841 N/A GLY 238.A N ARG 234.A O no hydrogen 2.835 N/A TYR 241.A N LEU 246.A O no hydrogen 2.856 N/A GLY 245.A N GLU 242.A O no hydrogen 2.852 N/A LEU 246.A N TYR 241.A O no hydrogen 3.106 N/A GLY 248.A N ASP 240.A OD1 no hydrogen 2.796 N/A ALA 250.A N PRO 247.A O no hydrogen 3.000 N/A ALA 252.A N LYS 231.A O no hydrogen 2.898 N/A SER 253.A N LYS 231.A O no hydrogen 2.954 N/A PHE 255.A N ASP 230.A OD1 no hydrogen 2.750 N/A GLY 256.A N SER 253.A O no hydrogen 2.939 N/A ASN 257.A N ALA 229.A O no hydrogen 2.916 N/A MET 258.A N PHE 255.A O no hydrogen 2.883 N/A TYR 260.A N ASN 257.A O no hydrogen 3.447 N/A LYS 263.A N TYR 260.A O no hydrogen 3.029 N/A LYS 263.A NZ GLN 228.A OE1 no hydrogen 3.282 N/A ARG 264.A N TYR 260.A O no hydrogen 3.006 N/A ARG 264.A NH1 MET 258.A O no hydrogen 2.857 N/A GLU 265.A N LYS 261.A O no hydrogen 2.958 N/A SER 266.A N LYS 263.A O no hydrogen 3.096 N/A SER 266.A OG GLU 262.A O no hydrogen 3.516 N/A SER 266.A OG LYS 263.A O no hydrogen 3.243 N/A VAL 267.A N LYS 263.A O no hydrogen 3.065 N/A SER 268.A N ASP 271.A OD2 no hydrogen 3.500 N/A SER 268.A OG GLU 270.A OE1 no hydrogen 3.559 N/A ASP 271.A N SER 268.A OG no hydrogen 2.775 N/A LEU 272.A N SER 268.A O no hydrogen 3.054 N/A ALA 273.A N LYS 269.A O no hydrogen 2.778 N/A ARG 274.A N GLU 270.A O no hydrogen 2.940 N/A ARG 274.A NH1 ALA 221.A O no hydrogen 3.081 N/A ALA 275.A N ASP 271.A O no hydrogen 2.915 N/A THR 276.A N LEU 272.A O no hydrogen 2.950 N/A THR 276.A OG1 LEU 272.A O no hydrogen 2.656 N/A LEU 277.A N ALA 273.A O no hydrogen 3.042 N/A VAL 278.A N ARG 274.A O no hydrogen 2.817 N/A THR 279.A N ALA 275.A O no hydrogen 2.911 N/A THR 279.A OG1 ALA 275.A O no hydrogen 2.721 N/A ILE 280.A N THR 276.A O no hydrogen 3.022 N/A THR 281.A N LEU 277.A O no hydrogen 2.892 N/A THR 281.A OG1 LEU 277.A O no hydrogen 2.679 N/A THR 281.A OG1 SER 313.A OG no hydrogen 2.882 N/A ASN 282.A N VAL 278.A O no hydrogen 2.933 N/A ASN 283.A N THR 279.A O no hydrogen 3.133 N/A ILE 284.A N ILE 280.A O no hydrogen 3.184 N/A GLY 285.A N THR 281.A O no hydrogen 2.870 N/A SER 286.A N ASN 282.A O no hydrogen 2.822 N/A VAL 287.A N ASN 283.A O no hydrogen 3.049 N/A ALA 288.A N ILE 284.A O no hydrogen 2.939 N/A ARG 289.A N GLY 285.A O no hydrogen 2.826 N/A MET 290.A N SER 286.A O no hydrogen 3.104 N/A CYS 291.A N VAL 287.A O no hydrogen 2.915 N/A CYS 291.A SG VAL 287.A O no hydrogen 3.316 N/A ALA 292.A N ALA 288.A O no hydrogen 2.827 N/A VAL 293.A N ARG 289.A O no hydrogen 3.082 N/A ASN 294.A N MET 290.A O no hydrogen 3.043 N/A GLU 295.A N CYS 291.A O no hydrogen 2.757 N/A LYS 296.A N VAL 293.A O no hydrogen 3.259 N/A ILE 297.A N ALA 292.A O no hydrogen 2.946 N/A ARG 299.A NH1.A ASP 164.A O no hydrogen 3.468 N/A ARG 299.A NH1.B PRO 167.A O no hydrogen 2.866 N/A ARG 299.A NH2.B PRO 167.A O no hydrogen 3.026 N/A ARG 299.A NH2.B ASN 298.A OD1 no hydrogen 3.456 N/A VAL 300.A N LYS 330.A O no hydrogen 3.094 N/A VAL 301.A N LEU 169.A O no hydrogen 2.780 N/A PHE 302.A N LEU 332.A O no hydrogen 2.981 N/A VAL 303.A N VAL 171.A O no hydrogen 2.876 N/A GLY 304.A N GLU 337.A O no hydrogen 3.008 N/A PHE 306.A N ILE 173.A O no hydrogen 3.179 N/A LEU 307.A N GLY 304.A O no hydrogen 3.287 N/A ARG 308.A N ASN 305.A O no hydrogen 3.014 N/A ARG 308.A NH1.B GLU 215.A OE2 no hydrogen 3.105 N/A ARG 308.A NH2.A GLU 215.A OE2 no hydrogen 2.541 N/A ASN 310.A N LEU 307.A O no hydrogen 3.063 N/A ASN 310.A ND2 PHE 306.A O no hydrogen 2.999 N/A ASN 310.A ND2 SER 313.A OG no hydrogen 2.910 N/A SER 313.A N ASN 310.A OD1 no hydrogen 3.308 N/A SER 313.A OG THR 281.A OG1 no hydrogen 2.882 N/A MET 314.A N ASN 310.A O no hydrogen 3.194 N/A LYS 315.A N THR 311.A O no hydrogen 2.876 N/A LEU 316.A N LEU 312.A O no hydrogen 3.110 N/A LEU 317.A N SER 313.A O no hydrogen 2.921 N/A ALA 318.A N MET 314.A O no hydrogen 2.960 N/A TYR 319.A N LYS 315.A O no hydrogen 2.752 N/A ALA 320.A N LEU 316.A O no hydrogen 2.795 N/A LEU 321.A N LEU 317.A O no hydrogen 2.978 N/A ASP 322.A N ALA 318.A O no hydrogen 3.045 N/A TYR 323.A N TYR 319.A O no hydrogen 2.719 N/A TRP 324.A N ALA 320.A O no hydrogen 3.062 N/A SER 325.A N LEU 321.A O no hydrogen 3.242 N/A SER 325.A OG LEU 321.A O no hydrogen 2.665 N/A LYS 326.A N TYR 323.A O no hydrogen 3.040 N/A GLY 327.A N ASP 322.A O no hydrogen 2.965 N/A GLN 328.A N SER 325.A O no hydrogen 3.127 N/A LEU 329.A N SER 325.A OG no hydrogen 2.911 N/A LYS 330.A N ASN 298.A O no hydrogen 3.059 N/A LEU 332.A N VAL 300.A O no hydrogen 2.815 N/A PHE 333.A N TYR 144.A O no hydrogen 2.733 N/A GLU 335.A N GLU 142.A O no hydrogen 2.801 N/A HIS 336.A N GLU 142.A OE2 no hydrogen 2.826 N/A HIS 336.A ND1 GLU 142.A OE1 no hydrogen 2.681 N/A HIS 336.A NE2 LEU 58.A O no hydrogen 2.768 N/A GLU 337.A N LEU 334.A O no hydrogen 3.107 N/A TYR 339.A N HIS 336.A O no hydrogen 3.048 N/A TYR 339.A OH ASP 55.A OD2 no hydrogen 2.699 N/A VAL 343.A N TYR 339.A O no hydrogen 3.165 N/A GLY 344.A N PHE 340.A O no hydrogen 2.806 N/A ALA 345.A N GLY 341.A O no hydrogen 2.791 N/A LEU 346.A N ALA 342.A O no hydrogen 3.055 N/A LEU 347.A N VAL 343.A O no hydrogen 2.910 N/A GLY 348.A N ALA 345.A O no hydrogen 2.988 N/A LEU 349.A N LEU 346.A O no hydrogen 3.136 N/A ASN 351.A N GLY 348.A O no hydrogen 3.158 N/A