Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wdr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A N GLY 265.A O no hydrogen 2.760 N/A SER 6.A OG SER 8.A O no hydrogen 2.822 N/A SER 6.A OG SER 8.A OG.A no hydrogen 3.266 N/A SER 8.A N SER 6.A OG no hydrogen 3.074 N/A SER 8.A OG.A SER 6.A OG no hydrogen 3.266 N/A VAL 10.A N ASP 236.A OD1 no hydrogen 2.778 N/A SER 15.A N ASN 210.A O no hydrogen 2.916 N/A ALA 18.A N SER 15.A OG no hydrogen 2.991 N/A GLN 19.A N SER 15.A O no hydrogen 2.918 N/A GLN 19.A NE2.A SER 7.A O no hydrogen 3.217 N/A GLN 19.A NE2.A GLN 19.A O no hydrogen 3.136 N/A GLN 19.A NE2.A SER 23.A OG no hydrogen 2.953 N/A GLN 19.A NE2.B PRO 14.A O no hydrogen 2.879 N/A GLN 19.A NE2.B SER 15.A O no hydrogen 3.649 N/A LYS 20.A N ALA 16.A O no hydrogen 2.966 N/A LYS 20.A NZ TRP 329.A O no hydrogen 2.933 N/A LEU 21.A N GLY 17.A O no hydrogen 2.877 N/A TYR 22.A N ALA 18.A O no hydrogen 2.866 N/A TYR 22.A OH SER 6.A O no hydrogen 2.741 N/A SER 23.A N GLN 19.A O no hydrogen 2.868 N/A SER 23.A OG GLN 19.A O no hydrogen 3.160 N/A PHE 24.A N LYS 20.A O no hydrogen 2.900 N/A LEU 25.A N LEU 21.A O no hydrogen 2.986 N/A VAL 26.A N TYR 22.A O no hydrogen 2.851 N/A GLN 27.A N SER 23.A O no hydrogen 2.845 N/A ASN 28.A N PHE 24.A O no hydrogen 3.074 N/A ASN 28.A ND2 PHE 24.A O no hydrogen 2.892 N/A PHE 29.A N LEU 25.A O no hydrogen 2.946 N/A LYS 31.A N ASN 28.A O no hydrogen 2.966 N/A LYS 32.A N ASN 28.A O no hydrogen 3.001 N/A ILE 33.A N LEU 319.A O no hydrogen 2.749 N/A ILE 34.A N SER 287.A O no hydrogen 2.907 N/A SER 35.A N ILE 321.A O no hydrogen 3.011 N/A SER 35.A OG ILE 321.A O no hydrogen 2.736 N/A ALA 37.A N LEU 65.A O no hydrogen 3.075 N/A MET 38.A N PRO 291.A O no hydrogen 3.060 N/A THR 39.A N GLY 67.A O no hydrogen 3.035 N/A THR 39.A OG1 GLY 67.A O no hydrogen 2.767 N/A GLN 41.A NE2 THR 39.A OG1 no hydrogen 2.929 N/A GLN 41.A NE2 GLN 48.A OE1 no hydrogen 2.943 N/A GLY 42.A N GLN 89.A OE1 no hydrogen 3.038 N/A SER 46.A OG.A ASP 44.A OD1 no hydrogen 2.580 N/A ALA 47.A N ASP 44.A O no hydrogen 3.303 N/A ALA 47.A N ASP 44.A OD1 no hydrogen 3.213 N/A GLN 48.A N GLU 45.A O no hydrogen 3.212 N/A GLN 48.A NE2 LEU 40.A O no hydrogen 2.901 N/A GLN 48.A NE2 ASP 44.A O no hydrogen 3.033 N/A THR 49.A OG1 ASP 53.A OD2 no hydrogen 2.672 N/A LYS 50.A N ALA 47.A O no hydrogen 3.084 N/A LYS 50.A NZ.A GLU 51.A OE2 no hydrogen 2.915 N/A LYS 50.A NZ.A ASN 294.A OD1 no hydrogen 2.634 N/A LYS 50.A NZ.B ASN 294.A OD1 no hydrogen 3.246 N/A GLU 51.A N GLU 51.A OE1 no hydrogen 2.794 N/A ASP 53.A N THR 49.A O no hydrogen 2.916 N/A TRP 54.A N LYS 50.A O no hydrogen 2.842 N/A LEU 55.A N GLU 51.A O no hydrogen 3.036 N/A GLN 56.A N PRO 52.A O no hydrogen 2.971 N/A GLN 57.A N ASP 53.A O no hydrogen 3.078 N/A ASN 58.A N TRP 54.A O no hydrogen 2.897 N/A ASN 58.A ND2 TRP 54.A O no hydrogen 2.884 N/A ALA 59.A N LEU 55.A O no hydrogen 2.800 N/A GLY 60.A N GLN 56.A O no hydrogen 3.051 N/A HIS 61.A ND1 ASP 324.A OD2 no hydrogen 2.714 N/A ARG 62.A NH2 ASP 53.A OD1 no hydrogen 2.912 N/A ALA 64.A N SER 35.A OG no hydrogen 3.183 N/A LEU 65.A N SER 35.A O no hydrogen 2.941 N/A VAL 66.A N ILE 103.A O no hydrogen 2.985 N/A GLY 67.A N ALA 37.A O no hydrogen 2.874 N/A LEU 68.A N ALA 105.A O no hydrogen 2.962 N/A ASP 69.A N GLN 41.A OE1 no hydrogen 2.799 N/A PHE 70.A N CYS 107.A O no hydrogen 2.985 N/A GLN 72.A N PHE 70.A O no hydrogen 2.872 N/A GLN 72.A NE2 SER 87.A O no hydrogen 2.983 N/A GLU 77.A N GLY 74.A O no hydrogen 3.067 N/A GLU 78.A N GLU 78.A OE1 no hydrogen 2.835 N/A TRP 79.A NE1 GLU 77.A OE1 no hydrogen 2.952 N/A TYR 80.A N GLU 77.A O no hydrogen 2.930 N/A TYR 80.A OH GLN 89.A OE1 no hydrogen 2.726 N/A TYR 81.A N GLU 77.A O no hydrogen 3.077 N/A ASN 82.A N GLU 78.A O no hydrogen 2.974 N/A ASP 83.A N TYR 80.A O no hydrogen 3.179 N/A ARG 85.A N ASP 83.A OD1 no hydrogen 3.075 N/A ARG 85.A NH1 ASP 83.A OD2 no hydrogen 2.801 N/A PHE 86.A N ASP 83.A O no hydrogen 3.155 N/A SER 87.A N ASP 83.A O no hydrogen 2.846 N/A SER 87.A OG ASP 83.A O no hydrogen 3.146 N/A LYS 88.A NZ GLN 158.A OE1 no hydrogen 2.953 N/A LYS 88.A NZ ASP 161.A OD2 no hydrogen 3.144 N/A GLN 89.A N PHE 86.A O no hydrogen 3.028 N/A GLN 89.A NE2 GLY 42.A O no hydrogen 2.855 N/A ASN 92.A N LYS 88.A O no hydrogen 2.804 N/A GLY 93.A N GLN 89.A O no hydrogen 2.913 N/A ALA 94.A N VAL 90.A O no hydrogen 2.920 N/A LYS 95.A N VAL 91.A O no hydrogen 2.841 N/A LYS 95.A NZ.A ASP 161.A OD1 no hydrogen 2.740 N/A SER 96.A N ASN 92.A O no hydrogen 2.873 N/A TYR 97.A N GLY 93.A O no hydrogen 3.118 N/A TYR 97.A OH PRO 63.A O no hydrogen 2.700 N/A TRP 98.A N ALA 94.A O no hydrogen 2.916 N/A GLN 99.A N LYS 95.A O no hydrogen 2.863 N/A LYS 100.A N SER 96.A O no hydrogen 3.296 N/A LYS 100.A N TYR 97.A O no hydrogen 3.138 N/A LYS 100.A NZ SER 96.A O no hydrogen 3.328 N/A LYS 100.A NZ SER 96.A OG no hydrogen 2.813 N/A GLY 101.A N TRP 98.A O no hydrogen 2.836 N/A GLY 102.A N TYR 97.A O no hydrogen 2.850 N/A ILE 103.A N ALA 64.A O no hydrogen 2.782 N/A ALA 105.A N VAL 66.A O no hydrogen 2.829 N/A LEU 106.A N LEU 170.A O no hydrogen 2.808 N/A CYS 107.A N LEU 68.A O no hydrogen 2.982 N/A CYS 107.A SG LEU 68.A O no hydrogen 3.886 N/A CYS 107.A SG ASP 69.A OD2 no hydrogen 3.588 N/A HIS 109.A N ASP 69.A OD1 no hydrogen 2.976 N/A HIS 109.A ND1 ASP 69.A OD2 no hydrogen 2.638 N/A TRP 110.A NE1 ASP 151.A OD2 no hydrogen 2.847 N/A ARG 111.A NH1 ASP 118.A O no hydrogen 2.794 N/A ASP 112.A N ALA 119.A O no hydrogen 2.814 N/A SER 114.A N ASP 112.A OD1 no hydrogen 2.979 N/A SER 114.A OG ASP 112.A OD1 no hydrogen 2.658 N/A SER 114.A OG ASP 112.A OD2 no hydrogen 3.301 N/A LYS 115.A N ASP 112.A O no hydrogen 2.953 N/A LYS 115.A NZ PRO 113.A O no hydrogen 2.753 N/A LYS 115.A NZ ASP 151.A OD1 no hydrogen 2.783 N/A LYS 115.A NZ ASP 151.A OD2 no hydrogen 3.542 N/A ASP 116.A N SER 114.A OG no hydrogen 3.055 N/A THR 117.A N ASP 112.A OD2 no hydrogen 3.077 N/A THR 117.A OG1 ASP 112.A OD2 no hydrogen 2.788 N/A ALA 119.A N THR 117.A OG1 no hydrogen 3.104 N/A SER 122.A N TRP 181.A O no hydrogen 2.838 N/A SER 122.A OG SER 124.A OG no hydrogen 3.264 N/A SER 122.A OG LYS 180.A O no hydrogen 2.699 N/A SER 124.A N SER 122.A OG no hydrogen 3.260 N/A SER 124.A OG SER 122.A OG no hydrogen 3.264 N/A SER 125.A N SER 122.A O no hydrogen 3.054 N/A SER 125.A OG SER 122.A O no hydrogen 2.739 N/A ASN 127.A N SER 125.A OG no hydrogen 3.077 N/A THR 130.A N TYR 121.A O no hydrogen 2.934 N/A PHE 132.A N THR 130.A OG1 no hydrogen 3.008 N/A ASP 135.A N ASP 133.A OD1 no hydrogen 2.908 N/A GLN 136.A N ASP 133.A OD1 no hydrogen 3.431 N/A ALA 137.A N ASP 133.A O no hydrogen 3.025 N/A VAL 138.A N ALA 134.A O no hydrogen 3.203 N/A LYS 139.A N GLN 136.A O no hydrogen 3.090 N/A LYS 139.A NZ GLN 136.A OE1 no hydrogen 3.034 N/A THR 142.A N LYS 139.A O no hydrogen 3.495 N/A THR 142.A OG1 GLN 136.A O no hydrogen 2.761 N/A THR 142.A OG1 LYS 139.A O no hydrogen 3.200 N/A GLU 144.A N GLU 144.A OE1 no hydrogen 2.764 N/A ASN 145.A N THR 142.A OG1 no hydrogen 2.909 N/A ASN 145.A ND2 ALA 137.A O no hydrogen 2.905 N/A LYS 146.A N THR 142.A O no hydrogen 3.074 N/A ALA 147.A N ALA 143.A O no hydrogen 3.008 N/A ILE 148.A N GLU 144.A O no hydrogen 2.955 N/A LEU 149.A N ASN 145.A O no hydrogen 3.117 N/A GLN 150.A N LYS 146.A O no hydrogen 3.036 N/A ASP 151.A N ALA 147.A O no hydrogen 3.123 N/A LEU 152.A N ILE 148.A O no hydrogen 2.817 N/A ALA 153.A N LEU 149.A O no hydrogen 3.088 N/A VAL 154.A N GLN 150.A O no hydrogen 3.396 N/A ILE 155.A N ASP 151.A O no hydrogen 3.151 N/A ALA 156.A N LEU 152.A O no hydrogen 2.845 N/A ASP 157.A N ALA 153.A O no hydrogen 2.971 N/A GLN 158.A N VAL 154.A O no hydrogen 3.373 N/A LEU 159.A N ILE 155.A O no hydrogen 2.939 N/A GLN 160.A N ALA 156.A O no hydrogen 2.798 N/A ASP 161.A N ASP 157.A O no hydrogen 3.112 N/A LEU 162.A N GLN 158.A O no hydrogen 3.183 N/A ARG 163.A N LEU 159.A O no hydrogen 2.828 N/A ARG 163.A NE ASP 164.A OD1 no hydrogen 3.077 N/A ARG 163.A NH1 ASN 208.A O no hydrogen 2.882 N/A ARG 163.A NH2 ASP 164.A OD1 no hydrogen 2.916 N/A ASP 164.A N GLN 160.A O no hydrogen 2.862 N/A ALA 165.A N ASP 161.A O no hydrogen 3.113 N/A ALA 165.A N LEU 162.A O no hydrogen 3.083 N/A GLY 166.A N ARG 163.A O no hydrogen 2.952 N/A VAL 167.A N LEU 162.A O no hydrogen 2.939 N/A VAL 169.A N ASN 211.A O no hydrogen 3.110 N/A LEU 170.A N PRO 104.A O no hydrogen 2.976 N/A TRP 171.A N ILE 213.A O no hydrogen 2.816 N/A TRP 171.A NE1 GLU 199.A OE2 no hydrogen 2.834 N/A ARG 172.A N LEU 106.A O no hydrogen 2.936 N/A ARG 172.A NH1 THR 217.A OG1 no hydrogen 3.142 N/A ARG 172.A NH1 ASP 241.A OD2 no hydrogen 2.869 N/A ARG 172.A NH2 GLU 273.A OE2 no hydrogen 2.868 N/A SER 178.A OG PRO 221.A O no hydrogen 2.696 N/A GLY 179.A N GLU 176.A O no hydrogen 3.242 N/A LYS 180.A N ALA 177.A O no hydrogen 2.973 N/A TRP 181.A NE1 GLU 176.A OE1 no hydrogen 2.978 N/A TRP 183.A N PHE 120.A O no hydrogen 3.085 N/A TRP 183.A NE1 TRP 110.A O no hydrogen 2.814 N/A TRP 184.A NE1 HIS 175.A O no hydrogen 2.879 N/A GLY 185.A N PHE 182.A O no hydrogen 3.113 N/A TYR 186.A N TRP 183.A O no hydrogen 3.286 N/A LYS 187.A NZ ASP 133.A OD1 no hydrogen 3.122 N/A LYS 187.A NZ ASP 135.A OD2 no hydrogen 2.702 N/A GLY 188.A N GLY 185.A O no hydrogen 3.004 N/A LEU 192.A N GLY 188.A O no hydrogen 3.319 N/A LYS 193.A N ALA 189.A O no hydrogen 2.960 N/A LYS 193.A NZ ASP 227.A O no hydrogen 2.807 N/A LYS 194.A N ASP 190.A O no hydrogen 3.099 N/A LYS 194.A NZ ASP 190.A OD1 no hydrogen 3.436 N/A LYS 194.A NZ ASP 190.A OD2 no hydrogen 2.791 N/A LEU 195.A N ALA 191.A O no hydrogen 2.781 N/A TRP 196.A N LEU 192.A O no hydrogen 2.876 N/A TRP 196.A NE1 MET 234.A O no hydrogen 2.975 N/A LYS 197.A N LYS 193.A O no hydrogen 3.019 N/A LYS 197.A NZ ASP 201.A OD2 no hydrogen 2.774 N/A ILE 198.A N LYS 194.A O no hydrogen 2.999 N/A GLU 199.A N LEU 195.A O no hydrogen 2.936 N/A PHE 200.A N TRP 196.A O no hydrogen 2.746 N/A ASP 201.A N LYS 197.A O no hydrogen 2.880 N/A TYR 202.A N ILE 198.A O no hydrogen 2.982 N/A PHE 203.A N GLU 199.A O no hydrogen 2.861 N/A VAL 204.A N PHE 200.A O no hydrogen 2.833 N/A LYS 205.A N ASP 201.A O no hydrogen 2.880 N/A LYS 205.A NZ ASP 201.A OD1 no hydrogen 2.872 N/A GLU 206.A N ASP 201.A O no hydrogen 3.078 N/A ARG 207.A N TYR 202.A O no hydrogen 2.818 N/A ARG 207.A NH1 ALA 153.A O no hydrogen 3.429 N/A ARG 207.A NH1 ASP 157.A OD1 no hydrogen 3.177 N/A ARG 207.A NH1 TYR 202.A OH no hydrogen 3.039 N/A ARG 207.A NH2 ASP 157.A OD1 no hydrogen 2.701 N/A ARG 207.A NH2 GLN 160.A OE1 no hydrogen 2.832 N/A LEU 209.A N PHE 203.A O no hydrogen 2.851 N/A ASN 210.A ND2 SER 13.A O no hydrogen 2.987 N/A ASN 211.A ND2 LEU 159.A O no hydrogen 3.388 N/A ASN 211.A ND2 VAL 167.A O no hydrogen 3.009 N/A ILE 213.A N VAL 169.A O no hydrogen 2.917 N/A TRP 214.A N ASP 236.A OD2 no hydrogen 2.862 N/A VAL 215.A N TRP 171.A O no hydrogen 2.808 N/A PHE 216.A N VAL 237.A O no hydrogen 2.885 N/A ALA 218.A N GLY 239.A O no hydrogen 2.824 N/A THR 220.A N ASP 241.A O no hydrogen 3.038 N/A THR 220.A OG1 ASP 241.A O no hydrogen 3.389 N/A ILE 225.A N ILE 222.A O no hydrogen 3.052 N/A ASP 227.A N GLY 224.A O no hydrogen 3.119 N/A TRP 228.A N ILE 225.A O no hydrogen 2.817 N/A TYR 229.A N ALA 226.A O no hydrogen 3.354 N/A TYR 229.A OH ASP 232.A OD1 no hydrogen 2.633 N/A MET 234.A N GLY 231.A O no hydrogen 3.022 N/A ASP 236.A N TRP 214.A O no hydrogen 2.763 N/A VAL 237.A N TRP 214.A O no hydrogen 3.010 N/A ILE 238.A N ILE 268.A O no hydrogen 2.834 N/A GLY 239.A N PHE 216.A O no hydrogen 2.863 N/A MET 240.A N ALA 270.A O no hydrogen 2.865 N/A ASP 241.A N GLY 219.A O no hydrogen 2.830 N/A ILE 242.A N GLU 273.A O no hydrogen 3.074 N/A TYR 243.A OH GLU 273.A OE1 no hydrogen 2.650 N/A GLN 246.A NE2 ASN 303.A O no hydrogen 2.756 N/A GLY 247.A N SER 276.A OG no hydrogen 2.788 N/A ASP 248.A N THR 245.A O no hydrogen 2.959 N/A HIS 249.A ND1 VAL 277.A O no hydrogen 2.718 N/A ALA 250.A N ASP 248.A OD1 no hydrogen 2.966 N/A GLN 253.A NE2 GLN 253.A O no hydrogen 3.427 N/A GLN 253.A NE2 ASN 257.A OD1 no hydrogen 3.009 N/A GLN 253.A NE2 ALA 283.A O no hydrogen 2.754 N/A PHE 256.A N GLN 252.A O no hydrogen 3.121 N/A ASN 257.A N GLN 253.A O no hydrogen 2.927 N/A GLN 258.A N ASP 254.A O no hydrogen 2.896 N/A CYS 259.A N TYR 255.A O no hydrogen 2.997 N/A CYS 259.A SG TYR 255.A O no hydrogen 3.568 N/A LYS 260.A N PHE 256.A O no hydrogen 3.028 N/A LYS 260.A NZ.A GLN 1.A O no hydrogen 2.648 N/A SER 261.A N ASN 257.A O no hydrogen 2.959 N/A SER 261.A OG.B ASN 257.A O no hydrogen 3.447 N/A SER 261.A OG.B GLN 258.A O no hydrogen 3.264 N/A ILE 262.A N GLN 258.A O no hydrogen 2.794 N/A PHE 263.A N CYS 259.A O no hydrogen 3.254 N/A LYS 264.A N SER 261.A O no hydrogen 3.092 N/A LYS 264.A NZ ILE 262.A O no hydrogen 3.551 N/A GLY 265.A N LYS 260.A O no hydrogen 2.818 N/A ARG 266.A N PHE 263.A O no hydrogen 3.045 N/A ARG 266.A NH1 ASP 232.A OD2 no hydrogen 3.014 N/A LYS 267.A NZ ASP 232.A O no hydrogen 2.857 N/A LYS 267.A NZ VAL 235.A O no hydrogen 2.692 N/A ALA 270.A N ILE 238.A O no hydrogen 2.803 N/A MET 271.A N PHE 288.A O no hydrogen 2.845 N/A SER 272.A OG MET 240.A O no hydrogen 3.358 N/A SER 272.A OG ASP 241.A OD1 no hydrogen 2.775 N/A GLU 273.A N MET 240.A O no hydrogen 3.272 N/A CYS 274.A N MET 290.A O no hydrogen 3.065 N/A CYS 274.A SG GLY 275.A O no hydrogen 3.710 N/A CYS 274.A SG SER 276.A O no hydrogen 4.005 N/A SER 276.A OG TYR 305.A O no hydrogen 2.653 N/A VAL 277.A N ASN 306.A OD1 no hydrogen 2.852 N/A GLU 279.A N HIS 249.A O no hydrogen 2.971 N/A ALA 283.A N ASP 281.A OD1 no hydrogen 2.762 N/A ALA 284.A N ASP 281.A O no hydrogen 3.050 N/A TRP 286.A N ALA 284.A O no hydrogen 2.942 N/A TRP 286.A NE1 THR 251.A O no hydrogen 2.836 N/A SER 287.A N VAL 269.A O no hydrogen 2.839 N/A PHE 289.A N ILE 34.A O no hydrogen 3.058 N/A TRP 292.A N CYS 274.A O no hydrogen 3.043 N/A ASN 294.A N GLU 51.A OE2 no hydrogen 2.909 N/A TYR 296.A N TYR 293.A O no hydrogen 3.310 N/A CYS 297.A N ASN 294.A O no hydrogen 3.007 N/A ILE 298.A N ASN 294.A O no hydrogen 2.910 N/A ASN 303.A ND2 GLN 246.A O no hydrogen 3.098 N/A ASN 306.A ND2 GLY 275.A O no hydrogen 2.939 N/A ASN 306.A ND2 TYR 296.A O no hydrogen 2.783 N/A PHE 310.A N SER 307.A OG no hydrogen 2.976 N/A TRP 311.A N SER 307.A O no hydrogen 2.854 N/A TRP 311.A NE1 CYS 297.A O no hydrogen 2.933 N/A LYS 312.A N LEU 308.A O no hydrogen 2.905 N/A LYS 312.A NZ GLU 309.A OE2.A no hydrogen 3.465 N/A LYS 313.A N GLU 309.A O no hydrogen 3.134 N/A THR 314.A N PHE 310.A O no hydrogen 2.894 N/A THR 314.A OG1 PHE 310.A O no hydrogen 2.840 N/A MET 315.A N TRP 311.A O no hydrogen 2.895 N/A SER 316.A OG LYS 312.A O no hydrogen 2.838 N/A SER 316.A OG LYS 313.A O no hydrogen 3.195 N/A SER 317.A N THR 314.A O no hydrogen 3.206 N/A LEU 319.A N SER 317.A OG no hydrogen 3.054 N/A VAL 320.A N SER 317.A O no hydrogen 3.116 N/A ILE 321.A N ILE 33.A O no hydrogen 2.840 N/A THR 322.A N ASN 325.A OD1 no hydrogen 2.907 N/A THR 322.A OG1 ASN 325.A OD1 no hydrogen 3.506 N/A LEU 323.A N ARG 62.A O no hydrogen 2.890 N/A ASP 324.A N THR 322.A OG1 no hydrogen 3.164 N/A ASN 325.A N THR 322.A O no hydrogen 2.913 N/A MET 326.A N LEU 323.A O no hydrogen 3.146 N/A TRP 329.A NE1 GLY 102.A O no hydrogen 2.921 N/A