Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mdy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N SER 4.A OG no hydrogen 3.332 N/A SER 4.A N ASP 1.A O no hydrogen 3.184 N/A SER 4.A OG ASP 1.A O no hydrogen 2.577 N/A VAL 5.A N ILE 16.A O no hydrogen 2.963 N/A THR 6.A OG1 THR 15.A OG1 no hydrogen 2.979 N/A VAL 7.A N THR 14.A O no hydrogen 2.828 N/A HIS 9.A N GLY 12.A O no hydrogen 2.778 N/A HIS 9.A NE2 THR 14.A OG1 no hydrogen 2.721 N/A ALA 10.A N GLN 114.A O no hydrogen 2.839 N/A PHE 11.A N HIS 9.A ND1 no hydrogen 3.149 N/A GLY 12.A N HIS 9.A O no hydrogen 3.128 N/A THR 14.A N VAL 7.A O no hydrogen 2.866 N/A THR 14.A OG1 HIS 9.A NE2 no hydrogen 2.721 N/A THR 14.A OG1 TYR 102.A OH no hydrogen 3.011 N/A THR 14.A OG1 THR 111.A O no hydrogen 2.629 N/A THR 15.A OG1 THR 6.A OG1 no hydrogen 2.979 N/A ILE 16.A N VAL 5.A O no hydrogen 2.731 N/A GLN 21.A N ASP 88.A OD2 no hydrogen 2.665 N/A ARG 22.A N ASP 88.A OD1 no hydrogen 2.827 N/A ARG 22.A NE LEU 85.A O no hydrogen 3.288 N/A ARG 22.A NE LYS 86.A O no hydrogen 3.142 N/A ARG 22.A NH2 LEU 85.A O no hydrogen 2.850 N/A VAL 24.A N LEU 89.A O no hydrogen 2.901 N/A SER 25.A N ALA 43.A O no hydrogen 2.947 N/A ALA 26.A N VAL 91.A O no hydrogen 2.796 N/A LEU 28.A N ASN 94.A O no hydrogen 2.910 N/A THR 29.A N GLU 30.A OE1 no hydrogen 3.163 N/A GLU 30.A N GLU 30.A OE1 no hydrogen 2.743 N/A GLN 31.A N GLN 31.A OE1 no hydrogen 2.840 N/A GLN 31.A NE2 GLY 54.A O no hydrogen 2.996 N/A ASP 32.A N THR 29.A O no hydrogen 3.178 N/A LEU 34.A N GLU 30.A O no hydrogen 3.067 N/A LEU 35.A N GLN 31.A O no hydrogen 2.874 N/A ALA 36.A N ASP 32.A O no hydrogen 3.003 N/A VAL 37.A N LEU 34.A O no hydrogen 3.154 N/A GLY 38.A N LEU 35.A O no hydrogen 3.080 N/A VAL 39.A N LEU 34.A O no hydrogen 3.004 N/A ILE 42.A N VAL 23.A O no hydrogen 2.816 N/A VAL 44.A N ALA 69.A O no hydrogen 2.865 N/A THR 45.A OG1 SER 25.A O no hydrogen 2.695 N/A ASP 46.A N LEU 71.A O no hydrogen 2.873 N/A GLY 54.A N GLU 51.A O no hydrogen 2.979 N/A VAL 55.A N PRO 52.A O no hydrogen 3.119 N/A TRP 58.A NE1 ASP 32.A OD2 no hydrogen 2.680 N/A ALA 59.A N TRP 56.A O no hydrogen 2.915 N/A GLN 60.A N PRO 57.A O no hydrogen 3.360 N/A GLN 60.A NE2 VAL 55.A O no hydrogen 3.022 N/A GLN 62.A N GLN 62.A OE1 no hydrogen 2.605 N/A LEU 63.A N ALA 59.A O no hydrogen 3.106 N/A ALA 64.A N GLN 60.A O no hydrogen 2.819 N/A ALA 66.A N LEU 63.A O no hydrogen 3.167 N/A GLN 67.A NE2 GLY 65.A O no hydrogen 2.973 N/A ALA 69.A N ILE 42.A O no hydrogen 2.969 N/A LEU 71.A N VAL 44.A O no hydrogen 2.790 N/A ASP 74.A N ASN 72.A OD1 no hydrogen 3.097 N/A GLY 76.A N LEU 73.A O no hydrogen 3.043 N/A ILE 82.A N PRO 78.A O no hydrogen 3.079 N/A ALA 83.A N VAL 79.A O no hydrogen 2.938 N/A ALA 84.A N GLU 80.A O no hydrogen 3.145 N/A LEU 85.A N GLU 81.A O no hydrogen 3.212 N/A LEU 85.A N ILE 82.A O no hydrogen 2.913 N/A LYS 86.A N ALA 83.A O no hydrogen 3.047 N/A ASP 88.A N ARG 22.A O no hydrogen 2.853 N/A LEU 89.A N ARG 22.A O no hydrogen 3.400 N/A ILE 90.A N PRO 110.A O no hydrogen 2.931 N/A VAL 91.A N VAL 24.A O no hydrogen 2.828 N/A ALA 92.A N VAL 112.A O no hydrogen 2.804 N/A THR 93.A N GLU 30.A OE2 no hydrogen 2.790 N/A ASN 94.A N GLU 30.A OE2 no hydrogen 2.871 N/A ASN 94.A ND2 THR 29.A OG1 no hydrogen 2.848 N/A GLY 96.A N ALA 119.A O no hydrogen 3.044 N/A THR 101.A N ASP 98.A OD1 no hydrogen 2.941 N/A THR 101.A OG1 ASP 98.A OD1 no hydrogen 2.929 N/A TYR 102.A N ASP 98.A O no hydrogen 2.851 N/A TYR 102.A OH HIS 9.A NE2 no hydrogen 3.151 N/A TYR 102.A OH THR 14.A OG1 no hydrogen 3.011 N/A ALA 103.A N ALA 99.A O no hydrogen 3.031 N/A LYS 104.A N ASP 100.A O no hydrogen 3.043 N/A LYS 104.A NZ ASP 100.A OD2 no hydrogen 2.944 N/A LEU 105.A N THR 101.A O no hydrogen 2.932 N/A SER 106.A N TYR 102.A O no hydrogen 2.864 N/A SER 106.A OG TYR 102.A O no hydrogen 2.873 N/A GLU 107.A N ALA 103.A O no hydrogen 3.239 N/A ILE 108.A N LEU 105.A O no hydrogen 2.860 N/A ALA 109.A N LEU 105.A O no hydrogen 3.040 N/A THR 111.A OG1 ALA 109.A O no hydrogen 2.886 N/A VAL 112.A N ILE 90.A O no hydrogen 2.814 N/A GLN 114.A N GLN 114.A OE1 no hydrogen 2.785 N/A GLN 114.A NE2 LEU 97.A O no hydrogen 3.031 N/A THR 115.A N GLU 122.A OE1 no hydrogen 2.827 N/A THR 115.A OG1 GLU 122.A OE1 no hydrogen 2.833 N/A PHE 121.A N ASN 94.A OD1 no hydrogen 2.788 N/A LYS 125.A NZ ASP 148.A OD1 no hydrogen 3.062 N/A LYS 125.A NZ ASP 148.A OD2 no hydrogen 3.003 N/A GLN 127.A N PRO 123.A O no hydrogen 3.163 N/A GLN 127.A NE2 THR 29.A OG1 no hydrogen 3.078 N/A GLN 127.A NE2 ASP 33.A OD2 no hydrogen 2.875 N/A ALA 128.A N TRP 124.A O no hydrogen 2.907 N/A THR 129.A N LYS 125.A O no hydrogen 2.867 N/A THR 129.A OG1 LYS 125.A O no hydrogen 2.781 N/A ILE 130.A N ASP 126.A O no hydrogen 3.149 N/A ILE 131.A N GLN 127.A O no hydrogen 3.185 N/A GLY 132.A N ALA 128.A O no hydrogen 2.907 N/A GLN 133.A N THR 129.A O no hydrogen 3.038 N/A ALA 134.A N ILE 130.A O no hydrogen 2.975 N/A VAL 135.A N ILE 131.A O no hydrogen 3.057 N/A PHE 136.A N GLN 133.A O no hydrogen 3.138 N/A LYS 137.A N GLY 132.A O no hydrogen 2.915 N/A LYS 137.A NZ VAL 37.A O no hydrogen 2.884 N/A THR 141.A OG1 ASN 138.A O no hydrogen 2.872 N/A GLU 142.A N ALA 139.A O no hydrogen 3.118 N/A LEU 143.A N GLU 140.A O no hydrogen 2.798 N/A LYS 145.A N THR 141.A O no hydrogen 2.992 N/A SER 146.A N GLU 142.A O no hydrogen 2.830 N/A VAL 147.A N LEU 143.A O no hydrogen 3.096 N/A ASP 148.A N ILE 144.A O no hydrogen 3.117 N/A ASP 149.A N LYS 145.A O no hydrogen 2.911 N/A ARG 150.A N SER 146.A O no hydrogen 2.964 N/A ARG 150.A NH2 ASP 272.A OD1 no hydrogen 2.646 N/A PHE 151.A N VAL 147.A O no hydrogen 3.218 N/A THR 152.A N ASP 148.A O no hydrogen 2.957 N/A THR 152.A OG1 ASP 148.A O no hydrogen 3.342 N/A THR 153.A N ASP 149.A O no hydrogen 2.901 N/A THR 153.A OG1 ASP 149.A O no hydrogen 2.971 N/A VAL 154.A N ARG 150.A O no hydrogen 3.056 N/A LYS 155.A N PHE 151.A O no hydrogen 3.182 N/A THR 156.A N THR 152.A O no hydrogen 3.219 N/A THR 156.A OG1 THR 152.A O no hydrogen 3.331 N/A ASP 157.A N.A THR 153.A O no hydrogen 2.864 N/A ASP 157.A N.B THR 153.A O no hydrogen 2.860 N/A HIS 158.A N VAL 154.A O no hydrogen 2.888 N/A HIS 158.A N LYS 155.A O no hydrogen 3.362 N/A HIS 158.A ND1 VAL 154.A O no hydrogen 3.129 N/A GLN 160.A N.A GLN 160.A OE1.A no hydrogen 2.791 N/A GLN 160.A N.B GLN 160.A OE1.B no hydrogen 2.859 N/A GLN 160.A NE2.A GLY 283.A O no hydrogen 2.644 N/A PHE 161.A N HIS 158.A O no hydrogen 3.094 N/A SER 162.A N PRO 159.A O no hydrogen 3.261 N/A LYS 164.A N PHE 161.A O no hydrogen 2.990 N/A LYS 164.A NZ GLN 160.A O.A no hydrogen 2.866 N/A LYS 164.A NZ GLN 160.A O.B no hydrogen 2.874 N/A LYS 165.A N ASP 216.A OD2 no hydrogen 2.816 N/A ALA 166.A N THR 195.A O no hydrogen 2.728 N/A LEU 167.A N VAL 217.A O no hydrogen 3.218 N/A LEU 169.A N ILE 219.A O no hydrogen 2.695 N/A GLY 170.A N GLN 179.A O no hydrogen 2.861 N/A TYR 174.A N GLY 177.A O no hydrogen 2.884 N/A GLY 177.A N TYR 174.A O no hydrogen 2.811 N/A VAL 178.A N ILE 203.A O no hydrogen 2.993 N/A ALA 180.A N ALA 201.A O no hydrogen 2.854 N/A THR 181.A N LEU 168.A O no hydrogen 2.978 N/A GLY 184.A N THR 187.A OG1 no hydrogen 3.063 N/A TRP 185.A NE1 PHE 121.A O no hydrogen 3.008 N/A ARG 186.A NH1 ALA 260.A O no hydrogen 3.257 N/A ARG 186.A NH2 ILE 259.A O no hydrogen 3.522 N/A ARG 186.A NH2 ALA 260.A O no hydrogen 3.224 N/A THR 187.A N GLY 184.A O no hydrogen 2.961 N/A THR 187.A OG1 GLY 184.A O no hydrogen 2.994 N/A ASP 188.A N TRP 185.A O no hydrogen 3.121 N/A LEU 190.A N THR 187.A O no hydrogen 2.950 N/A THR 191.A N THR 187.A O no hydrogen 3.258 N/A GLN 192.A N ASP 188.A O no hydrogen 2.809 N/A GLN 192.A NE2 ASP 148.A OD1 no hydrogen 3.150 N/A LEU 194.A N LEU 190.A O no hydrogen 3.184 N/A THR 195.A N LYS 164.A O no hydrogen 2.835 N/A LEU 197.A N ALA 166.A O no hydrogen 3.423 N/A ILE 203.A N VAL 178.A O no hydrogen 2.742 N/A ARG 205.A NH1 GLY 176.A O no hydrogen 2.938 N/A ARG 205.A NH1 ASP 234.A OD2 no hydrogen 2.784 N/A ARG 205.A NH2 ASP 234.A OD1 no hydrogen 3.539 N/A ARG 205.A NH2 ASP 234.A OD2 no hydrogen 2.867 N/A GLU 207.A N PRO 204.A O no hydrogen 2.865 N/A ILE 208.A N ARG 205.A O no hydrogen 3.479 N/A VAL 211.A N GLU 207.A O no hydrogen 3.025 N/A LEU 212.A N ILE 208.A O no hydrogen 2.850 N/A ASP 213.A N ALA 209.A O no hydrogen 3.050 N/A GLY 214.A N VAL 211.A O no hydrogen 3.230 N/A ALA 215.A N LEU 212.A O no hydrogen 3.179 N/A ASP 216.A N LYS 165.A O no hydrogen 2.791 N/A VAL 217.A N LYS 165.A O no hydrogen 3.121 N/A LEU 218.A N ARG 247.A O no hydrogen 3.095 N/A ILE 219.A N LEU 167.A O no hydrogen 2.886 N/A TRP 220.A N ILE 249.A O no hydrogen 2.784 N/A TRP 220.A NE1 ASN 248.A OD1 no hydrogen 2.899 N/A THR 221.A N LEU 169.A O no hydrogen 2.802 N/A THR 221.A OG1 LEU 169.A O no hydrogen 3.060 N/A THR 222.A OG1 THR 251.A O no hydrogen 2.787 N/A GLU 223.A N ASP 227.A OD2 no hydrogen 3.088 N/A ASP 227.A N SER 224.A OG no hydrogen 3.066 N/A ARG 228.A N SER 224.A O no hydrogen 3.180 N/A ARG 228.A NE ASP 229.A OD1 no hydrogen 3.189 N/A ASP 229.A N ASP 225.A O no hydrogen 2.923 N/A ALA 230.A N GLN 226.A O no hydrogen 3.077 N/A LEU 231.A N ASP 227.A O no hydrogen 3.199 N/A LEU 232.A N ARG 228.A O no hydrogen 2.937 N/A ALA 233.A N ASP 229.A O no hydrogen 2.830 N/A ASP 234.A N LEU 231.A O no hydrogen 3.076 N/A ILE 236.A N ASP 234.A OD1 no hydrogen 2.874 N/A VAL 237.A N ASP 234.A OD1 no hydrogen 2.941 N/A ALA 238.A N ASP 234.A O no hydrogen 2.806 N/A GLN 239.A N ILE 236.A O no hydrogen 3.006 N/A LEU 240.A N VAL 237.A O no hydrogen 3.064 N/A ALA 241.A N ASP 213.A OD1 no hydrogen 2.864 N/A THR 243.A OG1 VAL 237.A O no hydrogen 2.687 N/A ARG 244.A N.A LEU 240.A O no hydrogen 3.003 N/A ARG 244.A N.B LEU 240.A O no hydrogen 3.029 N/A ARG 245.A N.A ALA 241.A O no hydrogen 2.824 N/A ARG 245.A N.B ALA 241.A O no hydrogen 2.924 N/A ASP 246.A N.A THR 243.A O no hydrogen 3.350 N/A ASP 246.A N.B THR 243.A O no hydrogen 3.357 N/A ARG 247.A N ALA 242.A O no hydrogen 2.696 N/A ARG 247.A NE ARG 245.A O.A no hydrogen 2.575 N/A ARG 247.A NE ARG 245.A O.B no hydrogen 2.533 N/A ASN 248.A ND2 THR 243.A OG1 no hydrogen 3.044 N/A ILE 249.A N LEU 218.A O no hydrogen 2.769 N/A THR 251.A N TRP 220.A O no hydrogen 3.100 N/A THR 251.A OG1 TRP 220.A O no hydrogen 3.342 N/A THR 251.A OG1 THR 222.A O no hydrogen 2.722 N/A THR 251.A OG1 THR 252.A O no hydrogen 3.401 N/A LYS 253.A NZ GLY 49.A O no hydrogen 2.714 N/A LYS 253.A NZ GLU 51.A OE2 no hydrogen 3.378 N/A LEU 255.A N THR 252.A OG1 no hydrogen 3.190 N/A ALA 256.A N THR 252.A O no hydrogen 2.904 N/A GLY 257.A N LYS 253.A O no hydrogen 2.802 N/A ALA 258.A N GLU 254.A O no hydrogen 2.781 N/A ILE 259.A N LEU 255.A O no hydrogen 2.973 N/A ALA 260.A N ALA 256.A O no hydrogen 3.076 N/A PHE 261.A N GLY 257.A O no hydrogen 2.935 N/A ALA 262.A N ALA 258.A O no hydrogen 3.110 N/A SER 263.A N SER 266.A OG no hydrogen 2.972 N/A SER 263.A OG ASP 32.A OD2 no hydrogen 2.682 N/A LEU 265.A N SER 263.A OG no hydrogen 3.154 N/A SER 266.A N SER 263.A OG no hydrogen 2.834 N/A SER 266.A OG ALA 258.A O no hydrogen 2.678 N/A TYR 267.A N SER 263.A O no hydrogen 2.974 N/A VAL 270.A N SER 266.A O no hydrogen 3.253 N/A ALA 271.A N TYR 267.A O no hydrogen 2.885 N/A ASP 272.A N PRO 268.A O no hydrogen 2.970 N/A GLN 273.A N VAL 269.A O no hydrogen 2.930 N/A GLN 273.A NE2 GLU 254.A OE1 no hydrogen 3.292 N/A LEU 274.A N VAL 270.A O no hydrogen 2.975 N/A LEU 278.A N LEU 274.A O no hydrogen 2.926 N/A ALA 279.A N PRO 275.A O no hydrogen 2.763 N/A ARG 280.A N PRO 276.A O no hydrogen 3.000 N/A VAL 281.A N GLU 277.A O no hydrogen 3.388 N/A VAL 281.A N LEU 278.A O no hydrogen 3.287 N/A LEU 282.A N LEU 278.A O no hydrogen 2.797 N/A GLY 283.A N ALA 279.A O no hydrogen 2.814 N/A