Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dsw_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLU 229.A O no hydrogen 2.312 N/A VAL 4.A N ASP 3.A OD1 no hydrogen 2.872 N/A ALA 10.A N LYS 7.A O no hydrogen 3.212 N/A LYS 18.A NZ GLU 269.A O no hydrogen 3.073 N/A HIS 19.A N LEU 15.A O no hydrogen 3.199 N/A ALA 20.A N LEU 16.A O no hydrogen 3.033 N/A ASP 21.A N GLU 17.A O no hydrogen 3.063 N/A TYR 22.A N LYS 18.A O no hydrogen 2.854 N/A ILE 23.A N HIS 19.A O no hydrogen 2.998 N/A ALA 24.A N ALA 20.A O no hydrogen 2.842 N/A SER 25.A N ASP 21.A O no hydrogen 3.137 N/A SER 25.A OG ASP 21.A O no hydrogen 3.160 N/A TYR 26.A N ILE 23.A O no hydrogen 2.962 N/A SER 28.A N SER 25.A O no hydrogen 3.249 N/A SER 28.A OG SER 25.A O no hydrogen 2.635 N/A CYS 35.A N TYR 32.A O no hydrogen 2.692 N/A CYS 35.A SG ASP 31.A O no hydrogen 3.291 N/A MET 36.A N GLU 33.A O no hydrogen 3.454 N/A SER 37.A N GLU 33.A O no hydrogen 3.173 N/A SER 37.A N TYR 34.A O no hydrogen 3.189 N/A SER 37.A OG GLU 33.A O no hydrogen 2.846 N/A SER 37.A OG TYR 34.A O no hydrogen 2.728 N/A LEU 40.A N SER 37.A O no hydrogen 3.025 N/A ARG 41.A N GLU 38.A O no hydrogen 3.115 N/A ARG 41.A NH2 SER 37.A OG no hydrogen 3.039 N/A MET 42.A N ALA 82.A O no hydrogen 2.863 N/A SER 43.A OG SER 95.A OG no hydrogen 2.757 N/A GLY 44.A N LEU 40.A O no hydrogen 3.000 N/A VAL 45.A N ARG 41.A O no hydrogen 2.769 N/A TYR 46.A N MET 42.A O no hydrogen 3.047 N/A TYR 46.A OH CYS 309.A O no hydrogen 2.790 N/A TRP 47.A N SER 43.A O no hydrogen 2.854 N/A GLY 48.A N GLY 44.A O no hydrogen 3.109 N/A LEU 49.A N VAL 45.A O no hydrogen 2.963 N/A THR 50.A N TYR 46.A O no hydrogen 2.919 N/A THR 50.A OG1 TYR 46.A O no hydrogen 2.611 N/A VAL 51.A N TRP 47.A O no hydrogen 3.109 N/A MET 52.A N GLY 48.A O no hydrogen 2.988 N/A ASP 53.A N LEU 49.A O no hydrogen 2.907 N/A LEU 54.A N THR 50.A O no hydrogen 2.898 N/A MET 55.A N VAL 51.A O no hydrogen 3.037 N/A GLY 56.A N ASP 53.A O no hydrogen 3.064 N/A GLN 57.A N MET 52.A O no hydrogen 2.787 N/A GLN 57.A NE2 GLY 56.A O no hydrogen 3.217 N/A ARG 60.A N GLN 57.A O no hydrogen 3.053 N/A ARG 60.A NH1 GLN 57.A OE1 no hydrogen 2.832 N/A ARG 60.A NH2 ASP 21.A OD2 no hydrogen 2.830 N/A MET 61.A N LEU 58.A O no hydrogen 3.080 N/A ASN 62.A ND2 GLU 65.A OE1 no hydrogen 2.661 N/A LYS 63.A NZ TYR 103.A O no hydrogen 3.220 N/A ILE 66.A N ASN 62.A O no hydrogen 3.090 N/A LEU 67.A N LYS 63.A O no hydrogen 2.951 N/A VAL 68.A N GLU 64.A O no hydrogen 3.294 N/A PHE 69.A N GLU 65.A O no hydrogen 3.143 N/A ILE 70.A N ILE 66.A O no hydrogen 2.927 N/A LYS 71.A N.A LEU 67.A O no hydrogen 3.008 N/A LYS 71.A N.B LEU 67.A O no hydrogen 3.056 N/A LYS 71.A NZ.A VAL 108.A O no hydrogen 3.283 N/A SER 72.A N VAL 68.A O no hydrogen 3.050 N/A SER 72.A OG VAL 68.A O no hydrogen 3.560 N/A SER 72.A OG PHE 69.A O no hydrogen 2.854 N/A CYS 73.A N ILE 70.A O no hydrogen 2.837 N/A CYS 73.A SG PHE 69.A O no hydrogen 3.378 N/A GLN 74.A N LYS 71.A O.A no hydrogen 3.444 N/A GLN 74.A N LYS 71.A O.B no hydrogen 3.305 N/A GLN 74.A NE2 GLY 78.A O no hydrogen 2.759 N/A GLN 74.A NE2 ASN 110.A O no hydrogen 3.187 N/A HIS 75.A N GLY 79.A O no hydrogen 2.870 N/A HIS 75.A NE2 SER 81.A OG no hydrogen 3.150 N/A GLY 78.A N HIS 75.A O no hydrogen 2.972 N/A VAL 80.A N THR 93.A OG1 no hydrogen 2.920 N/A SER 81.A N CYS 73.A O no hydrogen 2.854 N/A SER 81.A OG CYS 73.A O no hydrogen 3.188 N/A SER 81.A OG HIS 75.A NE2 no hydrogen 3.150 N/A SER 81.A OG SER 83.A O no hydrogen 2.821 N/A HIS 86.A N SER 83.A O no hydrogen 3.144 N/A HIS 86.A NE2 GLU 38.A OE2 no hydrogen 3.124 N/A HIS 89.A N VAL 80.A O no hydrogen 2.936 N/A LEU 90.A N GLY 130.A O no hydrogen 2.940 N/A TYR 92.A N HIS 89.A O no hydrogen 3.262 N/A THR 93.A N HIS 89.A O no hydrogen 2.952 N/A THR 93.A OG1 VAL 80.A O no hydrogen 3.511 N/A THR 93.A OG1 HIS 89.A O no hydrogen 2.813 N/A LEU 94.A N LEU 90.A O no hydrogen 3.002 N/A SER 95.A N LEU 91.A O no hydrogen 3.245 N/A SER 95.A OG SER 43.A OG no hydrogen 2.757 N/A SER 95.A OG LEU 91.A O no hydrogen 3.335 N/A ALA 96.A N TYR 92.A O no hydrogen 3.012 N/A VAL 97.A N THR 93.A O no hydrogen 3.104 N/A GLN 98.A N LEU 94.A O no hydrogen 2.796 N/A GLN 98.A NE2 PHE 308.A O no hydrogen 3.039 N/A ILE 99.A N SER 95.A O no hydrogen 2.893 N/A LEU 100.A N ALA 96.A O no hydrogen 2.841 N/A THR 101.A N VAL 97.A O no hydrogen 2.942 N/A THR 101.A OG1 VAL 97.A O no hydrogen 2.652 N/A LEU 102.A N GLN 98.A O no hydrogen 3.012 N/A TYR 103.A N ILE 99.A O no hydrogen 3.046 N/A ASP 104.A N THR 101.A O no hydrogen 3.188 N/A SER 105.A N LEU 100.A O no hydrogen 2.800 N/A SER 105.A OG TYR 103.A O no hydrogen 2.700 N/A VAL 108.A N SER 105.A O no hydrogen 3.083 N/A ILE 109.A N ILE 106.A O no hydrogen 3.169 N/A ASN 110.A N GLN 74.A OE1 no hydrogen 3.095 N/A VAL 114.A N ASN 110.A O no hydrogen 3.138 N/A VAL 115.A N VAL 111.A O no hydrogen 2.951 N/A ALA 116.A N ASP 112.A O no hydrogen 3.058 N/A TYR 117.A N LYS 113.A O no hydrogen 2.876 N/A VAL 118.A N VAL 114.A O no hydrogen 2.907 N/A GLN 119.A N VAL 115.A O no hydrogen 2.956 N/A GLN 119.A NE2 ALA 156.A O no hydrogen 2.702 N/A SER 120.A N ALA 116.A O no hydrogen 2.963 N/A SER 120.A N TYR 117.A O no hydrogen 3.097 N/A SER 120.A OG TYR 117.A O no hydrogen 2.564 N/A LEU 121.A N VAL 118.A O no hydrogen 3.055 N/A GLN 122.A N GLN 119.A O no hydrogen 3.475 N/A GLN 122.A NE2 GLY 126.A O no hydrogen 3.110 N/A GLN 122.A NE2 ASN 158.A O no hydrogen 2.888 N/A LYS 123.A N SER 127.A O no hydrogen 2.756 N/A GLY 126.A N LYS 123.A O no hydrogen 2.882 N/A SER 127.A N ASP 125.A OD1 no hydrogen 2.956 N/A SER 127.A OG ASP 125.A OD1 no hydrogen 2.584 N/A ALA 129.A N LEU 121.A O no hydrogen 3.047 N/A GLY 130.A N GLU 135.A O no hydrogen 3.054 N/A TRP 133.A N ASP 131.A OD1 no hydrogen 2.773 N/A GLY 134.A N ASP 131.A O no hydrogen 3.298 N/A THR 138.A N CYS 178.A O no hydrogen 2.785 N/A THR 138.A OG1 GLY 177.A O no hydrogen 2.991 N/A THR 138.A OG1 GLN 188.A OE1 no hydrogen 2.832 N/A ARG 139.A N ASP 137.A OD1 no hydrogen 2.865 N/A ARG 139.A NE ASP 137.A OD2 no hydrogen 3.133 N/A ARG 139.A NH2 ASP 137.A OD2 no hydrogen 2.970 N/A PHE 140.A N ASP 137.A O no hydrogen 2.771 N/A SER 141.A N ASP 137.A O no hydrogen 3.470 N/A PHE 142.A N THR 138.A O no hydrogen 3.157 N/A CYS 143.A N ARG 139.A O no hydrogen 3.012 N/A CYS 143.A SG ARG 139.A O no hydrogen 3.342 N/A ALA 144.A N PHE 140.A O no hydrogen 2.918 N/A VAL 145.A N SER 141.A O no hydrogen 3.212 N/A ALA 146.A N PHE 142.A O no hydrogen 2.887 N/A THR 147.A N CYS 143.A O no hydrogen 3.028 N/A THR 147.A OG1 CYS 143.A O no hydrogen 2.597 N/A LEU 148.A N ALA 144.A O no hydrogen 2.971 N/A ALA 149.A N VAL 145.A O no hydrogen 2.783 N/A LEU 150.A N ALA 146.A O no hydrogen 3.174 N/A LEU 151.A N THR 147.A O no hydrogen 3.246 N/A LEU 151.A N LEU 148.A O no hydrogen 3.162 N/A GLY 152.A N ALA 149.A O no hydrogen 3.194 N/A LYS 153.A N LEU 148.A O no hydrogen 2.850 N/A LYS 153.A NZ LEU 151.A O no hydrogen 3.122 N/A ALA 156.A N LYS 153.A O no hydrogen 2.963 N/A ILE 157.A N LEU 154.A O no hydrogen 3.393 N/A ASN 158.A N GLN 122.A OE1 no hydrogen 2.850 N/A LYS 161.A N ASN 158.A OD1 no hydrogen 3.130 N/A ALA 162.A N ASN 158.A O no hydrogen 3.003 N/A ILE 163.A N VAL 159.A O no hydrogen 2.848 N/A GLU 164.A N GLU 160.A O no hydrogen 2.950 N/A PHE 165.A N LYS 161.A O no hydrogen 3.031 N/A VAL 166.A N ALA 162.A O no hydrogen 3.154 N/A LEU 167.A N ILE 163.A O no hydrogen 2.912 N/A SER 168.A N GLU 164.A O no hydrogen 2.990 N/A SER 168.A OG PHE 165.A O no hydrogen 2.483 N/A CYS 169.A N VAL 166.A O no hydrogen 2.966 N/A CYS 169.A SG PHE 165.A O no hydrogen 3.523 N/A MET 170.A N LEU 167.A O no hydrogen 3.155 N/A ASN 171.A N GLY 175.A O no hydrogen 2.842 N/A ASN 171.A ND2 SER 182.A O no hydrogen 2.877 N/A ASN 171.A ND2 SER 184.A OG no hydrogen 2.877 N/A GLY 174.A N ASN 171.A O no hydrogen 2.935 N/A GLY 175.A N ASP 173.A OD1 no hydrogen 2.954 N/A GLY 177.A N CYS 169.A O no hydrogen 3.355 N/A CYS 178.A SG.B SER 182.A OG no hydrogen 3.061 N/A ARG 179.A N SER 182.A OG no hydrogen 3.296 N/A ARG 179.A NE ILE 136.A O no hydrogen 3.390 N/A SER 182.A N ARG 179.A O no hydrogen 2.968 N/A SER 182.A OG ARG 179.A O no hydrogen 3.128 N/A SER 184.A OG ASP 173.A OD1 no hydrogen 2.653 N/A SER 184.A OG ASP 173.A OD2 no hydrogen 3.301 N/A HIS 185.A N PHE 176.A O no hydrogen 3.410 N/A ALA 186.A N GLY 226.A O no hydrogen 2.871 N/A GLY 187.A N HIS 185.A ND1 no hydrogen 2.872 N/A ILE 189.A N HIS 185.A O no hydrogen 2.959 N/A TYR 190.A N ALA 186.A O no hydrogen 2.878 N/A CYS 191.A N GLY 187.A O no hydrogen 3.174 N/A CYS 191.A SG GLY 187.A O no hydrogen 3.530 N/A CYS 192.A N GLN 188.A O no hydrogen 2.895 N/A CYS 192.A SG GLN 188.A O no hydrogen 3.463 N/A THR 193.A N ILE 189.A O no hydrogen 2.826 N/A THR 193.A OG1 ILE 189.A O no hydrogen 2.830 N/A THR 193.A OG1 TYR 190.A O no hydrogen 3.326 N/A GLY 194.A N TYR 190.A O no hydrogen 2.852 N/A PHE 195.A N CYS 191.A O no hydrogen 2.922 N/A LEU 196.A N CYS 192.A O no hydrogen 2.952 N/A ALA 197.A N THR 193.A O no hydrogen 2.861 N/A ILE 198.A N GLY 194.A O no hydrogen 3.127 N/A THR 199.A N PHE 195.A O no hydrogen 3.043 N/A THR 199.A OG1 PHE 195.A O no hydrogen 2.765 N/A SER 200.A N ALA 197.A O no hydrogen 3.134 N/A GLN 201.A N LEU 196.A O no hydrogen 2.710 N/A GLN 201.A NE2 THR 199.A O no hydrogen 3.489 N/A GLN 204.A N GLN 201.A O no hydrogen 3.057 N/A GLN 204.A NE2 GLN 201.A OE1 no hydrogen 2.670 N/A VAL 205.A N LEU 202.A O no hydrogen 3.168 N/A SER 207.A OG ILE 247.A O no hydrogen 3.432 N/A LEU 209.A N ASN 206.A OD1 no hydrogen 3.242 N/A LEU 210.A N ASN 206.A O no hydrogen 2.922 N/A GLY 211.A N SER 207.A O no hydrogen 2.859 N/A TRP 212.A N ASP 208.A O no hydrogen 3.120 N/A TRP 212.A NE1 GLU 216.A OE1 no hydrogen 3.144 N/A TRP 213.A N LEU 209.A O no hydrogen 3.107 N/A LEU 214.A N LEU 210.A O no hydrogen 2.884 N/A CYS 215.A N GLY 211.A O no hydrogen 2.910 N/A CYS 215.A SG GLY 211.A O no hydrogen 3.718 N/A CYS 215.A SG TRP 212.A O no hydrogen 3.563 N/A GLU 216.A N TRP 212.A O no hydrogen 2.983 N/A ARG 217.A N LEU 214.A O no hydrogen 2.895 N/A ARG 217.A NE TRP 213.A O no hydrogen 2.971 N/A ARG 217.A NH1 ASN 225.A OD1 no hydrogen 3.171 N/A ARG 217.A NH2 TRP 213.A O no hydrogen 3.111 N/A GLN 218.A N CYS 215.A O no hydrogen 3.245 N/A GLN 218.A NE2 GLY 222.A O no hydrogen 3.044 N/A GLN 218.A NE2 ASP 254.A O no hydrogen 2.883 N/A LEU 219.A N GLY 223.A O no hydrogen 2.830 N/A SER 221.A N ASP 3.A OD2 no hydrogen 2.604 N/A SER 221.A OG ASP 3.A OD1 no hydrogen 2.607 N/A GLY 222.A N LEU 219.A O no hydrogen 2.734 N/A GLY 223.A N SER 221.A OG no hydrogen 3.244 N/A ASN 225.A N ARG 217.A O no hydrogen 2.944 N/A ASN 225.A ND2 LYS 230.A O no hydrogen 2.810 N/A ARG 227.A NH1 GLU 183.A OE2 no hydrogen 3.029 N/A ASP 233.A N LEU 224.A O no hydrogen 3.017 N/A VAL 234.A N ASP 275.A O no hydrogen 2.860 N/A CYS 235.A N ASP 233.A OD1 no hydrogen 3.002 N/A CYS 235.A SG ASP 233.A OD1 no hydrogen 3.339 N/A CYS 235.A SG ASP 233.A OD2 no hydrogen 3.522 N/A CYS 235.A SG HIS 285.A NE2 no hydrogen 3.710 N/A TYR 236.A N ASP 233.A O no hydrogen 2.884 N/A TYR 236.A OH HIS 185.A NE2 no hydrogen 3.268 N/A SER 237.A N.A VAL 234.A O no hydrogen 2.889 N/A SER 237.A OG.A VAL 234.A O no hydrogen 2.971 N/A TRP 238.A N CYS 235.A O no hydrogen 2.861 N/A TRP 239.A N CYS 235.A O no hydrogen 3.112 N/A VAL 240.A N TYR 236.A O no hydrogen 2.941 N/A LEU 241.A N SER 237.A O.B no hydrogen 3.075 N/A ALA 242.A N TRP 238.A O no hydrogen 2.948 N/A SER 243.A N TRP 239.A O no hydrogen 3.258 N/A SER 243.A OG TRP 239.A O no hydrogen 2.817 N/A LEU 244.A N VAL 240.A O no hydrogen 2.898 N/A LYS 245.A N LEU 241.A O no hydrogen 2.728 N/A ILE 246.A N ALA 242.A O no hydrogen 2.918 N/A ILE 247.A N SER 243.A O no hydrogen 3.117 N/A GLY 248.A N LYS 245.A O no hydrogen 3.136 N/A ARG 249.A N LEU 244.A O no hydrogen 2.809 N/A ARG 249.A NE ASP 208.A OD2 no hydrogen 2.991 N/A ARG 249.A NH1 GLY 248.A O no hydrogen 3.541 N/A ARG 249.A NH2 ASP 208.A OD2 no hydrogen 2.772 N/A TRP 252.A N ARG 249.A O no hydrogen 2.899 N/A ILE 253.A N LEU 250.A O no hydrogen 3.457 N/A ASP 254.A N GLN 218.A OE1 no hydrogen 2.874 N/A ARG 255.A NE LEU 296.A O no hydrogen 2.701 N/A ARG 255.A NH2 LEU 296.A O no hydrogen 2.920 N/A LYS 257.A N ASP 254.A OD1 no hydrogen 3.068 N/A LYS 257.A NZ PRO 220.A O no hydrogen 2.707 N/A LEU 258.A N ASP 254.A O no hydrogen 3.168 N/A ARG 259.A N ARG 255.A O no hydrogen 2.942 N/A ARG 259.A NH1 GLU 298.A OE2 no hydrogen 3.326 N/A SER 260.A N GLU 256.A O no hydrogen 2.984 N/A SER 260.A OG GLU 256.A O no hydrogen 3.205 N/A PHE 261.A N LYS 257.A O no hydrogen 3.045 N/A ILE 262.A N LEU 258.A O no hydrogen 2.841 N/A LEU 263.A N ARG 259.A O no hydrogen 3.009 N/A ALA 264.A N SER 260.A O no hydrogen 3.213 N/A CYS 265.A N ILE 262.A O no hydrogen 2.948 N/A CYS 265.A SG PHE 261.A O no hydrogen 3.414 N/A CYS 265.A SG ASP 275.A O no hydrogen 3.951 N/A GLN 266.A N LEU 263.A O no hydrogen 3.140 N/A GLN 266.A NE2 HIS 19.A NE2 no hydrogen 2.764 N/A ASP 267.A N GLY 272.A O no hydrogen 3.040 N/A GLU 269.A N ASP 267.A OD2 no hydrogen 2.911 N/A THR 270.A N ASP 267.A OD2 no hydrogen 3.143 N/A THR 270.A OG1 GLY 271.A O no hydrogen 2.793 N/A GLY 271.A N ASP 267.A O no hydrogen 2.833 N/A GLY 272.A N HIS 19.A ND1 no hydrogen 2.911 N/A PHE 273.A N THR 286.A OG1 no hydrogen 3.142 N/A ALA 274.A N CYS 265.A O no hydrogen 3.014 N/A ARG 276.A NE PRO 232.A O no hydrogen 3.160 N/A ARG 276.A NH2 PRO 232.A O no hydrogen 2.766 N/A ASP 279.A N ARG 276.A O no hydrogen 3.064 N/A ASP 282.A N PHE 273.A O no hydrogen 3.161 N/A HIS 285.A N ASP 282.A OD1 no hydrogen 2.739 N/A HIS 285.A ND1 ASP 282.A OD1 no hydrogen 3.150 N/A HIS 285.A ND1 ASP 282.A OD2 no hydrogen 2.763 N/A THR 286.A N ASP 282.A O no hydrogen 3.073 N/A THR 286.A OG1 ASP 282.A O no hydrogen 2.730 N/A LEU 287.A N PRO 283.A O no hydrogen 3.098 N/A PHE 288.A N PHE 284.A O no hydrogen 3.170 N/A GLY 289.A N HIS 285.A O no hydrogen 2.843 N/A ILE 290.A N THR 286.A O no hydrogen 3.102 N/A ALA 291.A N LEU 287.A O no hydrogen 2.749 N/A GLY 292.A N PHE 288.A O no hydrogen 2.788 N/A LEU 293.A N GLY 289.A O no hydrogen 2.975 N/A SER 294.A N ILE 290.A O no hydrogen 3.022 N/A SER 294.A OG LYS 302.A O no hydrogen 2.737 N/A LEU 295.A N ALA 291.A O no hydrogen 3.047 N/A LEU 296.A N GLY 292.A O no hydrogen 3.110 N/A GLY 297.A N SER 294.A O no hydrogen 2.982 N/A GLU 298.A N LEU 293.A O no hydrogen 3.174 N/A ILE 301.A N GLU 298.A O no hydrogen 3.262 N/A LYS 302.A N LEU 54.A O no hydrogen 2.962 N/A LYS 302.A NZ ASP 53.A O no hydrogen 3.076 N/A LYS 302.A NZ ASP 53.A OD2 no hydrogen 2.832 N/A LYS 302.A NZ GLU 313.A OE1 no hydrogen 2.913 N/A SER 305.A N MET 310.A O no hydrogen 2.760 N/A VAL 307.A N SER 305.A OG no hydrogen 3.142 N/A PHE 308.A N SER 305.A OG no hydrogen 2.962 N/A CYS 309.A N SER 305.A O no hydrogen 2.927 N/A GLU 312.A N PRO 303.A O no hydrogen 2.834 N/A VAL 314.A N PRO 311.A O no hydrogen 3.060 N/A GLN 316.A N GLU 312.A O no hydrogen 2.905 N/A ARG 317.A N GLU 313.A O no hydrogen 3.161 N/A ARG 317.A NH1 THR 101.A O no hydrogen 2.805 N/A ARG 317.A NH2 THR 101.A O no hydrogen 3.047 N/A VAL 318.A N VAL 314.A O no hydrogen 3.254 N/A ASN 319.A N GLN 316.A O no hydrogen 3.159 N/A VAL 320.A N LEU 315.A O no hydrogen 3.073 N/A GLN 321.A NE2 GLU 312.A OE2 no hydrogen 3.062 N/A VAL 325.A N ILE 246.A O no hydrogen 2.763 N/A