Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mdy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG ASP 5.A OD2 no hydrogen 3.089 N/A LEU 3.A N GLU 53.A OE2 no hydrogen 3.356 N/A LEU 6.A N SER 2.A O no hydrogen 2.853 N/A ILE 7.A N LEU 3.A O no hydrogen 2.880 N/A GLU 8.A N ARG 4.A O no hydrogen 2.712 N/A GLN 9.A N ASP 5.A O no hydrogen 2.745 N/A SER 10.A N LEU 6.A O no hydrogen 3.243 N/A SER 10.A OG LEU 6.A O no hydrogen 3.005 N/A SER 10.A OG ILE 7.A O no hydrogen 2.885 N/A SER 10.A OG GLY 18.A O no hydrogen 3.350 N/A GLN 11.A N ILE 7.A O no hydrogen 3.010 N/A SER 12.A N GLU 8.A O no hydrogen 3.167 N/A SER 12.A OG GLU 8.A O no hydrogen 2.679 N/A GLY 14.A N SER 10.A O no hydrogen 3.431 N/A GLY 16.A N GLY 14.A O no hydrogen 3.050 N/A SER 17.A OG THR 77.A O no hydrogen 3.441 N/A GLY 18.A N GLN 11.A OE1 no hydrogen 2.636 N/A LEU 19.A N ILE 89.A O no hydrogen 2.864 N/A GLN 24.A N PRO 20.A O no hydrogen 2.871 N/A GLN 24.A NE2 LEU 19.A O no hydrogen 2.861 N/A GLN 24.A NE2 GLN 76.A OE1 no hydrogen 3.119 N/A ARG 25.A N LEU 21.A O no hydrogen 3.023 N/A ARG 25.A NE ASP 92.A OD1 no hydrogen 2.726 N/A THR 26.A N VAL 23.A O no hydrogen 3.105 N/A THR 26.A OG1 VAL 23.A O no hydrogen 2.540 N/A ILE 27.A N GLN 24.A O no hydrogen 3.206 N/A ALA 28.A N ASP 92.A OD2 no hydrogen 2.729 N/A GLN 30.A N ILE 27.A O no hydrogen 2.875 N/A ILE 31.A N ILE 27.A O no hydrogen 2.941 N/A GLN 32.A N LYS 49.A O no hydrogen 2.998 N/A VAL 34.A N MET 47.A O no hydrogen 2.873 N/A LYS 35.A N MET 47.A O no hydrogen 3.463 N/A GLN 36.A NE2 GLY 38.A O no hydrogen 3.272 N/A ILE 37.A N VAL 45.A O no hydrogen 2.820 N/A GLY 38.A N VAL 45.A O no hydrogen 3.166 N/A GLY 40.A N GLY 43.A O no hydrogen 2.867 N/A ARG 41.A N ASP 177.A OD1 no hydrogen 3.300 N/A ARG 41.A N ASP 177.A OD2 no hydrogen 2.893 N/A ARG 41.A NE ASP 159.A OD2 no hydrogen 2.748 N/A ARG 41.A NH1 ASP 159.A OD1 no hydrogen 3.030 N/A ARG 41.A NH1 ASP 159.A OD2 no hydrogen 3.142 N/A GLY 43.A N GLY 40.A O no hydrogen 3.302 N/A VAL 45.A N GLY 38.A O no hydrogen 3.047 N/A TRP 46.A N VAL 57.A O no hydrogen 2.737 N/A TRP 46.A NE1 GLU 44.A OE1 no hydrogen 2.960 N/A MET 47.A N LYS 35.A O no hydrogen 2.874 N/A GLY 48.A N VAL 55.A O no hydrogen 2.884 N/A LYS 49.A N GLN 32.A O no hydrogen 2.757 N/A TRP 50.A N GLU 53.A O no hydrogen 2.877 N/A TRP 50.A NE1 GLN 30.A OE1 no hydrogen 2.970 N/A GLU 53.A N TRP 50.A O no hydrogen 3.185 N/A VAL 55.A N GLY 48.A O no hydrogen 2.941 N/A ALA 56.A N THR 106.A O no hydrogen 2.867 N/A VAL 57.A N TRP 46.A O no hydrogen 2.737 N/A LYS 58.A N LEU 104.A O no hydrogen 2.833 N/A LYS 58.A NZ ARG 41.A O no hydrogen 2.812 N/A LYS 58.A NZ GLU 71.A OE1 no hydrogen 2.590 N/A LYS 58.A NZ GLU 71.A OE2 no hydrogen 3.517 N/A LYS 58.A NZ ASP 177.A OD1 no hydrogen 2.709 N/A VAL 59.A N GLU 44.A O no hydrogen 2.804 N/A PHE 60.A N LEU 102.A O no hydrogen 2.819 N/A THR 62.A OG1 GLU 65.A OE2 no hydrogen 3.253 N/A THR 63.A OG1 GLU 64.A OE1 no hydrogen 2.705 N/A THR 63.A OG1 GLU 64.A OE2 no hydrogen 3.213 N/A GLU 64.A N PHE 61.A O no hydrogen 2.811 N/A GLU 65.A N THR 62.A O no hydrogen 3.140 N/A TRP 68.A N GLU 64.A O no hydrogen 3.219 N/A TRP 68.A NE1 TYR 103.A O no hydrogen 3.029 N/A PHE 69.A N GLU 65.A O no hydrogen 2.793 N/A ARG 70.A N ALA 66.A O no hydrogen 2.882 N/A ARG 70.A NE GLY 179.A O no hydrogen 2.962 N/A ARG 70.A NH2 GLY 179.A O no hydrogen 2.850 N/A GLU 71.A N SER 67.A O no hydrogen 2.889 N/A THR 72.A N TRP 68.A O no hydrogen 2.912 N/A THR 72.A OG1 TRP 68.A O no hydrogen 2.961 N/A GLU 73.A N PHE 69.A O no hydrogen 2.963 N/A ILE 74.A N ARG 70.A O no hydrogen 3.146 N/A TYR 75.A N GLU 71.A O no hydrogen 3.005 N/A GLN 76.A N THR 72.A O no hydrogen 2.915 N/A THR 77.A N ILE 74.A O no hydrogen 2.911 N/A THR 77.A OG1 ILE 74.A O no hydrogen 3.235 N/A ARG 81.A NH1 PHE 88.A O no hydrogen 2.961 N/A ASN 84.A N HIS 82.A ND1 no hydrogen 2.909 N/A ASN 84.A ND2 CYS 173.A O no hydrogen 2.698 N/A ILE 85.A N HIS 82.A O no hydrogen 2.928 N/A LEU 86.A N ILE 175.A O no hydrogen 2.877 N/A ILE 89.A N ILE 105.A O no hydrogen 2.795 N/A ALA 90.A N ILE 105.A O no hydrogen 3.084 N/A ALA 91.A N GLN 24.A OE1 no hydrogen 2.886 N/A ASP 92.A N TYR 103.A O no hydrogen 3.127 N/A LYS 94.A N GLN 101.A O no hydrogen 2.854 N/A TRP 99.A N THR 96.A O no hydrogen 3.016 N/A THR 100.A N GLY 97.A O no hydrogen 3.059 N/A THR 100.A OG1 GLY 97.A O no hydrogen 2.621 N/A GLN 101.A N LYS 94.A O no hydrogen 2.753 N/A LEU 102.A N PHE 60.A O no hydrogen 2.877 N/A TYR 103.A N ASP 92.A O no hydrogen 2.785 N/A LEU 104.A N LYS 58.A O no hydrogen 2.873 N/A ILE 105.A N ALA 90.A O no hydrogen 2.643 N/A THR 106.A N ALA 56.A O no hydrogen 2.852 N/A THR 106.A OG1 ASP 107.A O no hydrogen 2.881 N/A ASP 107.A N GLY 87.A O no hydrogen 2.817 N/A GLY 112.A N HIS 109.A O no hydrogen 2.923 N/A SER 113.A N ASP 116.A OD2 no hydrogen 3.065 N/A SER 113.A OG ASP 116.A OD2 no hydrogen 2.999 N/A LEU 114.A N ILE 165.A O no hydrogen 2.746 N/A TYR 115.A N SER 162.A O no hydrogen 3.300 N/A ASP 116.A N SER 113.A OG no hydrogen 3.236 N/A TYR 117.A N SER 113.A O no hydrogen 2.898 N/A LEU 118.A N LEU 114.A O no hydrogen 2.860 N/A LYS 119.A N TYR 115.A O no hydrogen 3.313 N/A LYS 119.A NZ TYR 115.A OH no hydrogen 2.755 N/A SER 120.A N ASP 116.A O no hydrogen 3.034 N/A SER 120.A N TYR 117.A O no hydrogen 3.080 N/A SER 120.A OG TYR 117.A O no hydrogen 2.703 N/A THR 121.A N TYR 117.A O no hydrogen 3.108 N/A THR 121.A OG1 THR 122.A O no hydrogen 3.018 N/A LEU 123.A N ARG 231.A O no hydrogen 2.712 N/A ASP 124.A N SER 127.A OG.B no hydrogen 3.211 N/A SER 127.A N ASP 124.A OD1 no hydrogen 2.944 N/A SER 127.A OG.A ASP 124.A OD1 no hydrogen 3.344 N/A SER 127.A OG.B ASP 124.A O no hydrogen 3.191 N/A SER 127.A OG.B ASP 124.A OD1 no hydrogen 3.212 N/A MET 128.A N ASP 124.A O no hydrogen 2.873 N/A LEU 129.A N ALA 125.A O no hydrogen 2.880 N/A LYS 130.A N LYS 126.A O no hydrogen 3.016 N/A LYS 130.A NZ ASN 170.A O no hydrogen 3.151 N/A LEU 131.A N SER 127.A O no hydrogen 2.995 N/A ALA 132.A N MET 128.A O no hydrogen 2.978 N/A TYR 133.A N LEU 129.A O no hydrogen 2.741 N/A SER 134.A N LYS 130.A O no hydrogen 3.066 N/A SER 134.A OG LYS 130.A O no hydrogen 2.743 N/A SER 134.A OG LEU 131.A O no hydrogen 3.295 N/A SER 135.A N LEU 131.A O no hydrogen 3.070 N/A SER 135.A OG LEU 131.A O no hydrogen 2.720 N/A VAL 136.A N ALA 132.A O no hydrogen 2.925 N/A SER 137.A N TYR 133.A O no hydrogen 2.894 N/A SER 137.A OG TYR 133.A O no hydrogen 2.861 N/A GLY 138.A N SER 134.A O no hydrogen 2.972 N/A LEU 139.A N SER 135.A O no hydrogen 3.141 N/A CYS 140.A N VAL 136.A O no hydrogen 2.867 N/A HIS 141.A N SER 137.A O no hydrogen 2.997 N/A HIS 141.A NE2 MET 80.A O no hydrogen 2.991 N/A LEU 142.A N GLY 138.A O no hydrogen 2.992 N/A HIS 143.A N LEU 139.A O no hydrogen 2.866 N/A HIS 143.A NE2 ASP 217.A OD2 no hydrogen 2.705 N/A THR 144.A N CYS 140.A O no hydrogen 2.909 N/A THR 144.A N HIS 141.A O no hydrogen 3.333 N/A THR 144.A OG1 CYS 140.A O no hydrogen 2.705 N/A ILE 146.A N LYS 152.A O no hydrogen 2.822 N/A LYS 152.A N ILE 146.A O no hydrogen 2.838 N/A LYS 152.A NZ HIS 141.A O no hydrogen 2.896 N/A LYS 152.A NZ LEU 142.A O no hydrogen 2.622 N/A LYS 152.A NZ THR 144.A O no hydrogen 2.808 N/A LYS 152.A NZ PRO 153.A O no hydrogen 2.752 N/A ILE 155.A N LEU 142.A O no hydrogen 2.779 N/A ALA 156.A N VAL 182.A O no hydrogen 2.955 N/A HIS 157.A N ASP 217.A OD2 no hydrogen 2.838 N/A HIS 157.A NE2 ALA 176.A O no hydrogen 2.918 N/A ARG 158.A N ASP 217.A OD1 no hydrogen 2.972 N/A ARG 158.A NH1 LEU 180.A O no hydrogen 3.039 N/A ARG 158.A NH2 ASN 187.A O no hydrogen 2.462 N/A ASP 159.A N HIS 157.A ND1 no hydrogen 2.934 N/A LYS 161.A NZ THR 192.A OG1 no hydrogen 3.190 N/A SER 162.A N TYR 195.A OH no hydrogen 3.470 N/A SER 162.A OG TYR 195.A OH no hydrogen 3.143 N/A SER 162.A OG GLU 227.A OE1 no hydrogen 2.595 N/A SER 162.A OG GLU 227.A OE2 no hydrogen 3.512 N/A ASN 164.A N LYS 161.A O no hydrogen 2.920 N/A ASN 164.A ND2 ASP 159.A O no hydrogen 2.778 N/A LEU 166.A N CYS 174.A O no hydrogen 2.788 N/A VAL 167.A N GLY 112.A O no hydrogen 3.047 N/A LYS 168.A N THR 172.A O no hydrogen 2.771 N/A LYS 168.A NZ GLU 83.A O no hydrogen 2.490 N/A GLY 171.A N LYS 168.A O no hydrogen 3.154 N/A THR 172.A N ASN 170.A OD1 no hydrogen 2.992 N/A THR 172.A OG1 ASN 170.A OD1 no hydrogen 2.767 N/A CYS 173.A N SER 134.A OG no hydrogen 2.824 N/A CYS 173.A SG LEU 131.A O no hydrogen 3.592 N/A CYS 173.A SG SER 135.A OG no hydrogen 3.095 N/A CYS 174.A N LEU 166.A O no hydrogen 2.977 N/A CYS 174.A SG HIS 109.A NE2 no hydrogen 3.509 N/A ILE 175.A N ASN 84.A O no hydrogen 2.884 N/A ALA 176.A N ASN 164.A O no hydrogen 2.842 N/A LEU 178.A N GLU 71.A OE2 no hydrogen 3.054 N/A ALA 181.A N LEU 178.A O no hydrogen 3.092 N/A VAL 182.A N ALA 156.A O no hydrogen 2.932 N/A PHE 184.A N ALA 154.A O no hydrogen 2.892 N/A ARG 189.A NH2 LEU 201.A O no hydrogen 2.993 N/A VAL 190.A N THR 188.A O no hydrogen 3.016 N/A THR 192.A OG1 ASP 159.A OD1 no hydrogen 2.710 N/A ARG 194.A NH1 PRO 244.A O no hydrogen 2.745 N/A TYR 195.A N THR 192.A O no hydrogen 2.990 N/A TYR 195.A OH GLU 227.A OE2 no hydrogen 2.453 N/A MET 196.A N LYS 193.A O no hydrogen 3.088 N/A GLU 199.A N GLU 199.A OE1 no hydrogen 2.834 N/A VAL 200.A N PRO 197.A O no hydrogen 2.974 N/A LEU 201.A N PRO 197.A O no hydrogen 3.045 N/A ASP 202.A N PRO 198.A O no hydrogen 3.074 N/A GLU 203.A N VAL 200.A O no hydrogen 3.288 N/A SER 204.A N ASP 202.A OD1 no hydrogen 2.939 N/A SER 204.A OG ASP 202.A OD1 no hydrogen 2.661 N/A SER 204.A OG ASP 202.A OD2 no hydrogen 3.454 N/A LEU 205.A N GLU 199.A O no hydrogen 2.932 N/A ASN 208.A N ASN 206.A OD1 no hydrogen 2.920 N/A ASN 208.A ND2 ASN 206.A OD1 no hydrogen 3.335 N/A HIS 209.A N ASN 206.A O no hydrogen 3.431 N/A SER 212.A N HIS 209.A O no hydrogen 3.088 N/A SER 212.A OG ASN 206.A O no hydrogen 2.629 N/A SER 212.A OG HIS 209.A O no hydrogen 2.900 N/A TYR 213.A N PHE 210.A O no hydrogen 2.900 N/A MET 215.A N GLN 211.A O no hydrogen 2.857 N/A ALA 216.A N SER 212.A O no hydrogen 2.943 N/A ASP 217.A N TYR 213.A O no hydrogen 3.035 N/A MET 218.A N ILE 214.A O no hydrogen 3.319 N/A MET 218.A N MET 215.A O no hydrogen 3.162 N/A TYR 219.A N MET 215.A O no hydrogen 3.480 N/A TYR 219.A OH TYR 245.A OH no hydrogen 2.684 N/A SER 220.A N ALA 216.A O no hydrogen 3.461 N/A SER 220.A OG TYR 195.A O no hydrogen 2.638 N/A PHE 221.A N ASP 217.A O no hydrogen 2.878 N/A GLY 222.A N MET 218.A O no hydrogen 2.942 N/A LEU 223.A N TYR 219.A O no hydrogen 3.302 N/A ILE 224.A N SER 220.A O no hydrogen 3.357 N/A LEU 225.A N PHE 221.A O no hydrogen 3.019 N/A TRP 226.A N GLY 222.A O no hydrogen 3.210 N/A TRP 226.A NE1 SER 270.A O no hydrogen 2.853 N/A GLU 227.A N LEU 223.A O no hydrogen 3.090 N/A VAL 228.A N ILE 224.A O no hydrogen 3.038 N/A ALA 229.A N LEU 225.A O no hydrogen 2.815 N/A ARG 230.A N TRP 226.A O no hydrogen 3.206 N/A ARG 230.A NH1 GLU 240.A O no hydrogen 2.889 N/A ARG 231.A N VAL 228.A O no hydrogen 2.925 N/A ARG 231.A NE LEU 118.A O no hydrogen 2.641 N/A ARG 231.A NH1 GLU 239.A O no hydrogen 2.752 N/A ARG 231.A NH2 LEU 118.A O no hydrogen 3.140 N/A ARG 231.A NH2 THR 121.A O no hydrogen 3.182 N/A CYS 232.A N ALA 229.A O no hydrogen 2.963 N/A CYS 232.A SG LEU 123.A O no hydrogen 4.042 N/A CYS 232.A SG VAL 233.A O no hydrogen 3.636 N/A VAL 233.A N LEU 123.A O no hydrogen 2.774 N/A SER 234.A N ILE 237.A O no hydrogen 3.123 N/A ILE 237.A N SER 234.A O no hydrogen 3.037 N/A GLU 239.A N ARG 230.A O no hydrogen 3.207 N/A TYR 241.A OH GLU 227.A OE1 no hydrogen 2.573 N/A TYR 245.A OH TYR 219.A OH no hydrogen 2.684 N/A HIS 246.A N LEU 243.A O no hydrogen 3.208 N/A LEU 248.A N TYR 245.A O no hydrogen 2.902 N/A VAL 249.A N TYR 245.A O no hydrogen 2.993 N/A SER 254.A N ASP 257.A OD2 no hydrogen 3.030 N/A ASP 257.A N SER 254.A OG no hydrogen 3.029 N/A MET 258.A N SER 254.A O no hydrogen 3.020 N/A ARG 259.A N TYR 255.A O no hydrogen 2.754 N/A GLU 260.A N GLU 256.A O no hydrogen 3.228 N/A ILE 261.A N ASP 257.A O no hydrogen 3.339 N/A VAL 262.A N MET 258.A O no hydrogen 2.902 N/A CYS 263.A N ARG 259.A O no hydrogen 2.870 N/A CYS 263.A SG PRO 198.A O no hydrogen 3.184 N/A ILE 264.A N ARG 259.A O no hydrogen 3.019 N/A LYS 265.A N GLU 260.A O no hydrogen 2.999 N/A LEU 267.A N ILE 261.A O no hydrogen 2.836 N/A ARG 268.A NE TRP 292.A O no hydrogen 2.817 N/A ARG 268.A NH1 LEU 267.A O no hydrogen 2.952 N/A ARG 268.A NH2 TRP 292.A O no hydrogen 2.928 N/A ARG 274.A NE GLU 239.A OE1 no hydrogen 2.927 N/A ARG 274.A NE GLU 239.A OE2 no hydrogen 3.200 N/A ARG 274.A NH1 CYS 232.A O no hydrogen 2.780 N/A ARG 274.A NH1 SER 234.A OG no hydrogen 2.678 N/A ARG 274.A NH2 CYS 232.A O no hydrogen 2.882 N/A ARG 274.A NH2 GLU 239.A OE2 no hydrogen 2.727 N/A TRP 275.A N PRO 272.A O no hydrogen 3.052 N/A SER 276.A N ASN 273.A O no hydrogen 2.938 N/A SER 276.A OG ASN 273.A O no hydrogen 2.575 N/A SER 277.A N ARG 274.A O no hydrogen 3.141 N/A ASP 278.A N TRP 275.A O no hydrogen 3.210 N/A LEU 281.A N ASP 278.A OD2 no hydrogen 3.039 N/A ARG 282.A N ASP 278.A O no hydrogen 2.957 N/A ARG 282.A NH2.A SER 276.A O no hydrogen 3.170 N/A ARG 282.A NH2.B GLU 279.A OE2 no hydrogen 2.875 N/A GLN 283.A N GLU 279.A O no hydrogen 2.948 N/A GLN 283.A NE2 GLU 279.A OE1 no hydrogen 2.782 N/A MET 284.A N CYS 280.A O no hydrogen 2.923 N/A GLY 285.A N LEU 281.A O no hydrogen 2.842 N/A LYS 286.A N ARG 282.A O no hydrogen 3.101 N/A LYS 286.A NZ GLU 290.A OE2 no hydrogen 2.788 N/A LEU 287.A N GLN 283.A O no hydrogen 3.010 N/A MET 288.A N MET 284.A O no hydrogen 2.960 N/A THR 289.A N GLY 285.A O no hydrogen 3.069 N/A THR 289.A OG1 GLY 285.A O no hydrogen 3.055 N/A GLU 290.A N LYS 286.A O no hydrogen 3.069 N/A CYS 291.A N LEU 287.A O no hydrogen 2.997 N/A CYS 291.A N MET 288.A O no hydrogen 2.992 N/A CYS 291.A SG LEU 287.A O no hydrogen 3.320 N/A TRP 292.A N MET 288.A O no hydrogen 3.032 N/A ALA 297.A N ASN 295.A OD1 no hydrogen 3.207 N/A SER 298.A N ASN 295.A O no hydrogen 2.853 N/A ARG 299.A N PRO 296.A O no hydrogen 3.029 N/A ARG 299.A NE ALA 293.A O no hydrogen 2.768 N/A ARG 299.A NH1 GLU 199.A OE2 no hydrogen 2.776 N/A ARG 299.A NH1 MET 215.A O no hydrogen 3.084 N/A ARG 299.A NH2 GLU 199.A OE1 no hydrogen 2.974 N/A ARG 299.A NH2 ALA 293.A O no hydrogen 3.170 N/A LEU 300.A N GLU 290.A O no hydrogen 3.039 N/A ARG 304.A N THR 301.A OG1 no hydrogen 2.932 N/A VAL 305.A N THR 301.A O no hydrogen 2.978 N/A LYS 306.A N ALA 302.A O no hydrogen 2.893 N/A LYS 307.A N LEU 303.A O no hydrogen 2.860 N/A THR 308.A N ARG 304.A O no hydrogen 2.826 N/A THR 308.A OG1 ARG 304.A O no hydrogen 2.890 N/A LEU 309.A N VAL 305.A O no hydrogen 2.845 N/A ALA 310.A N LYS 306.A O no hydrogen 2.880 N/A LYS 311.A N LYS 307.A O no hydrogen 3.017 N/A MET 312.A N THR 308.A O no hydrogen 2.995 N/A SER 313.A N LEU 309.A O no hydrogen 3.020 N/A SER 313.A OG LEU 309.A O no hydrogen 3.021 N/A SER 313.A OG LEU 320.A O no hydrogen 2.980 N/A GLU 314.A N ALA 310.A O no hydrogen 2.981 N/A SER 315.A N MET 312.A O no hydrogen 3.154 N/A GLN 316.A N SER 313.A O no hydrogen 3.251 N/A ASP 317.A N GLU 314.A O no hydrogen 3.434 N/A ILE 318.A N SER 313.A O no hydrogen 2.865 N/A