Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ppx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A ND2 HIS 43.A O no hydrogen 2.904 N/A GLY 5.A N GLU 1.A O no hydrogen 2.892 N/A THR 8.A N ASN 4.A O no hydrogen 2.905 N/A THR 8.A OG1 ASN 4.A O no hydrogen 3.330 N/A THR 8.A OG1 GLY 5.A O no hydrogen 3.147 N/A ASP 9.A N GLY 5.A O no hydrogen 2.899 N/A MET 10.A N GLY 6.A O no hydrogen 3.118 N/A LEU 11.A N ILE 7.A O no hydrogen 2.952 N/A THR 12.A N THR 8.A O no hydrogen 2.961 N/A THR 12.A OG1 THR 8.A O no hydrogen 2.961 N/A GLU 13.A N ASP 9.A O no hydrogen 2.924 N/A LEU 14.A N MET 10.A O no hydrogen 2.960 N/A ALA 15.A N LEU 11.A O no hydrogen 2.859 N/A ASN 16.A N THR 12.A O no hydrogen 3.037 N/A PHE 17.A N GLU 13.A O no hydrogen 3.229 N/A GLU 18.A N LEU 14.A O no hydrogen 3.086 N/A LYS 19.A N ALA 15.A O no hydrogen 3.076 N/A ASN 20.A N ASN 16.A O no hydrogen 2.811 N/A ASN 20.A ND2 ASN 90.A OD1 no hydrogen 2.629 N/A VAL 21.A N PHE 17.A O no hydrogen 2.926 N/A SER 22.A N PHE 17.A O no hydrogen 3.059 N/A ALA 24.A N GLU 18.A O no hydrogen 2.682 N/A TYR 28.A N ALA 24.A O no hydrogen 3.051 N/A ASN 29.A N ILE 25.A O no hydrogen 3.075 N/A ALA 30.A N HIS 26.A O no hydrogen 2.921 N/A TYR 31.A N LYS 27.A O no hydrogen 2.853 N/A ARG 32.A N TYR 28.A O no hydrogen 2.952 N/A ARG 32.A NE ASN 29.A OD1 no hydrogen 3.341 N/A ARG 32.A NH2 ASN 29.A OD1 no hydrogen 2.848 N/A LYS 33.A N ASN 29.A O no hydrogen 2.841 N/A ALA 34.A N ALA 30.A O no hydrogen 3.071 N/A ALA 35.A N TYR 31.A O no hydrogen 2.804 N/A SER 36.A N ARG 32.A O no hydrogen 2.891 N/A SER 36.A OG.A ARG 32.A O no hydrogen 2.866 N/A VAL 37.A N LYS 33.A O no hydrogen 3.084 N/A ILE 38.A N ALA 34.A O no hydrogen 3.169 N/A ALA 39.A N ALA 35.A O no hydrogen 3.028 N/A LYS 40.A N SER 36.A O no hydrogen 3.321 N/A TYR 41.A N ILE 38.A O no hydrogen 3.050 N/A TYR 41.A OH GLU 50.A OE2 no hydrogen 2.642 N/A ILE 45.A N ASN 4.A OD1 no hydrogen 2.763 N/A LYS 46.A N GLU 50.A OE1 no hydrogen 2.883 N/A GLY 48.A N ASP 66.A OD1 no hydrogen 2.656 N/A GLU 50.A N SER 47.A OG no hydrogen 3.162 N/A ALA 51.A N SER 47.A O no hydrogen 3.362 N/A LYS 52.A N GLY 48.A O no hydrogen 2.863 N/A LYS 53.A N GLU 50.A O no hydrogen 3.355 N/A LEU 54.A N ALA 51.A O no hydrogen 2.890 N/A VAL 57.A N LEU 54.A O no hydrogen 3.172 N/A ALA 62.A N GLY 58.A O no hydrogen 3.056 N/A GLU 63.A N THR 59.A O no hydrogen 2.996 N/A LYS 64.A N LYS 60.A O no hydrogen 2.987 N/A ILE 65.A N ILE 61.A O no hydrogen 2.859 N/A ASP 66.A N ALA 62.A O no hydrogen 2.992 N/A GLU 67.A N GLU 63.A O no hydrogen 3.081 N/A PHE 68.A N LYS 64.A O no hydrogen 2.981 N/A LEU 69.A N ILE 65.A O no hydrogen 2.816 N/A ALA 70.A N ASP 66.A O no hydrogen 3.191 N/A ALA 70.A N GLU 67.A O no hydrogen 3.277 N/A THR 71.A N GLU 67.A O no hydrogen 2.956 N/A THR 71.A OG1 GLU 67.A O no hydrogen 2.656 N/A GLY 72.A N PHE 68.A O no hydrogen 2.746 N/A LYS 73.A N THR 71.A OG1 no hydrogen 3.254 N/A ARG 75.A N GLU 67.A OE2 no hydrogen 2.934 N/A GLU 78.A N LEU 74.A O no hydrogen 2.815 N/A LYS 79.A N ARG 75.A O no hydrogen 3.027 N/A ILE 80.A N LYS 76.A O no hydrogen 2.954 N/A ARG 81.A N LEU 77.A O no hydrogen 2.900 N/A ARG 81.A NE GLU 13.A OE1 no hydrogen 3.233 N/A ARG 81.A NE GLU 13.A OE2 no hydrogen 2.718 N/A ARG 81.A NH2 GLU 13.A OE1 no hydrogen 2.725 N/A GLN 82.A N LYS 79.A O no hydrogen 3.191 N/A ASP 83.A N LYS 79.A O no hydrogen 3.119 N/A ASP 83.A N ILE 80.A O no hydrogen 3.147 N/A SER 86.A N ASP 83.A OD2 no hydrogen 2.941 N/A SER 86.A OG ASP 83.A OD2 no hydrogen 3.297 N/A SER 87.A N ASP 83.A O no hydrogen 2.961 N/A SER 87.A OG.A ILE 80.A O no hydrogen 3.401 N/A SER 87.A OG.A ARG 81.A O no hydrogen 2.798 N/A SER 87.A OG.A ASP 83.A O no hydrogen 2.929 N/A SER 87.A OG.B ASP 83.A O no hydrogen 2.859 N/A SER 87.A OG.B ASP 84.A O no hydrogen 3.179 N/A SER 88.A N ASP 84.A O no hydrogen 3.083 N/A SER 88.A OG ASP 84.A O no hydrogen 2.786 N/A ILE 89.A N THR 85.A O no hydrogen 3.051 N/A ASN 90.A N SER 86.A O no hydrogen 2.993 N/A PHE 91.A N SER 87.A O no hydrogen 2.955 N/A LEU 92.A N SER 88.A O no hydrogen 2.960 N/A THR 93.A N ILE 89.A O no hydrogen 3.419 N/A THR 93.A OG1 ASN 90.A O no hydrogen 2.606 N/A ARG 94.A N PHE 91.A O no hydrogen 2.978 N/A ARG 94.A NE GLU 139.A OE2 no hydrogen 2.819 N/A ARG 94.A NH2 GLU 139.A OE1 no hydrogen 2.803 N/A ARG 94.A NH2 GLU 139.A OE2 no hydrogen 3.413 N/A VAL 95.A N LEU 92.A O no hydrogen 2.958 N/A SER 96.A OG HIS 127.A NE2 no hydrogen 2.844 N/A ILE 98.A N VAL 95.A O no hydrogen 2.930 N/A ALA 103.A N GLY 99.A O no hydrogen 2.883 N/A ARG 104.A N PRO 100.A O no hydrogen 3.007 N/A ARG 104.A NH1 VAL 21.A O no hydrogen 2.639 N/A LYS 105.A N SER 101.A O no hydrogen 3.064 N/A PHE 106.A N ALA 102.A O no hydrogen 2.886 N/A VAL 107.A N ALA 103.A O no hydrogen 3.037 N/A ASP 108.A N ARG 104.A O no hydrogen 2.927 N/A GLU 109.A N PHE 106.A O no hydrogen 3.041 N/A GLY 110.A N VAL 107.A O no hydrogen 3.043 N/A ILE 111.A N PHE 106.A O no hydrogen 2.872 N/A LYS 112.A N ASP 116.A OD2 no hydrogen 2.764 N/A THR 113.A N ASP 116.A OD2 no hydrogen 3.048 N/A THR 113.A OG1 GLU 115.A OE1 no hydrogen 3.252 N/A GLU 115.A N GLU 115.A OE1 no hydrogen 2.613 N/A ASP 116.A N THR 113.A OG1 no hydrogen 2.999 N/A LEU 117.A N THR 113.A O no hydrogen 2.978 N/A ARG 118.A N LEU 114.A O no hydrogen 2.771 N/A ARG 118.A NH2 GLU 115.A OE2 no hydrogen 3.425 N/A LYS 119.A N GLU 115.A O no hydrogen 3.230 N/A ASN 120.A N LEU 117.A O no hydrogen 2.944 N/A ASN 120.A ND2 ASP 116.A O no hydrogen 2.442 N/A LYS 123.A N ASN 120.A O no hydrogen 2.971 N/A LEU 124.A N GLU 121.A O no hydrogen 3.035 N/A ASN 125.A N GLN 128.A OE1 no hydrogen 2.928 N/A HIS 126.A NE2 THR 215.A O no hydrogen 2.734 N/A HIS 127.A NE2 SER 96.A OG no hydrogen 2.844 N/A GLN 128.A N ASN 125.A OD1 no hydrogen 2.875 N/A GLN 128.A NE2 GLY 97.A O no hydrogen 3.073 N/A ARG 129.A N ASN 125.A O no hydrogen 3.053 N/A ARG 129.A NE GLU 121.A O no hydrogen 3.107 N/A ARG 129.A NE LEU 124.A O no hydrogen 3.061 N/A ARG 129.A NH2 LEU 124.A O no hydrogen 3.482 N/A ILE 130.A N HIS 126.A O no hydrogen 3.188 N/A GLY 131.A N HIS 127.A O no hydrogen 2.865 N/A LEU 132.A N GLN 128.A O no hydrogen 2.825 N/A LYS 133.A N ARG 129.A O no hydrogen 2.897 N/A LYS 133.A NZ TYR 134.A OH no hydrogen 3.175 N/A TYR 134.A N ILE 130.A O no hydrogen 2.989 N/A TYR 134.A OH ASP 214.A OD2 no hydrogen 2.557 N/A PHE 135.A N LEU 132.A O no hydrogen 3.358 N/A PHE 138.A N TYR 134.A O no hydrogen 2.867 N/A GLU 139.A N GLY 136.A O no hydrogen 3.180 N/A LYS 140.A N ASP 137.A O no hydrogen 3.090 N/A ARG 141.A NE SER 179.A OG no hydrogen 3.314 N/A ARG 141.A NH2 SER 179.A OG no hydrogen 2.969 N/A ILE 142.A N SER 180.A O no hydrogen 2.785 N/A ARG 144.A N GLU 178.A O no hydrogen 2.985 N/A ARG 144.A NH1 PHE 173.A O no hydrogen 2.802 N/A ARG 144.A NH1 ALA 177.A O no hydrogen 3.017 N/A ARG 144.A NH2 PHE 173.A O no hydrogen 3.391 N/A MET 147.A N PRO 143.A O no hydrogen 3.118 N/A LEU 148.A N ARG 144.A O no hydrogen 2.785 N/A GLN 149.A N GLU 145.A O no hydrogen 3.141 N/A GLN 149.A NE2 GLU 145.A OE2 no hydrogen 3.140 N/A MET 150.A N GLU 146.A O no hydrogen 2.733 N/A GLN 151.A N MET 147.A O no hydrogen 2.824 N/A ASP 152.A N LEU 148.A O no hydrogen 2.903 N/A ILE 153.A N GLN 149.A O no hydrogen 3.234 N/A VAL 154.A N MET 150.A O no hydrogen 3.064 N/A LEU 155.A N GLN 151.A O no hydrogen 2.953 N/A ASN 156.A N ASP 152.A O no hydrogen 3.168 N/A ASN 156.A ND2 GLU 157.A OE2 no hydrogen 3.176 N/A GLU 157.A N ILE 153.A O no hydrogen 2.945 N/A VAL 158.A N VAL 154.A O no hydrogen 2.947 N/A LYS 159.A N LEU 155.A O no hydrogen 3.284 N/A LYS 160.A N ASN 156.A O no hydrogen 3.102 N/A LYS 160.A NZ GLU 157.A OE1 no hydrogen 2.859 N/A LYS 160.A NZ GLU 157.A OE2 no hydrogen 3.170 N/A VAL 161.A N GLU 157.A O no hydrogen 3.092 N/A ASP 162.A N VAL 158.A O no hydrogen 3.275 N/A GLU 164.A N ASP 162.A OD1 no hydrogen 2.999 N/A TYR 165.A N ASP 162.A O no hydrogen 3.176 N/A TYR 165.A OH LEU 198.A O no hydrogen 2.606 N/A ILE 166.A N THR 188.A O no hydrogen 3.029 N/A THR 168.A N LEU 186.A O no hydrogen 2.892 N/A THR 168.A OG1 TYR 249.A OH no hydrogen 2.708 N/A CYS 170.A N ASP 184.A O no hydrogen 2.874 N/A CYS 170.A SG THR 168.A O no hydrogen 3.621 N/A GLY 171.A N PHE 256.A O no hydrogen 2.757 N/A ARG 174.A N GLY 171.A O no hydrogen 3.274 N/A ARG 174.A NH1 THR 257.A OG1 no hydrogen 2.770 N/A ARG 174.A NH1 GLU 295.A OE1 no hydrogen 3.329 N/A ARG 174.A NH1 GLU 295.A OE2 no hydrogen 2.897 N/A ARG 174.A NH2 GLU 295.A OE1 no hydrogen 2.570 N/A ARG 175.A N SER 172.A O no hydrogen 3.070 N/A ARG 175.A NH1 THR 257.A O no hydrogen 2.624 N/A GLY 176.A N PHE 173.A O no hydrogen 2.840 N/A ALA 177.A N SER 172.A O no hydrogen 3.036 N/A SER 180.A N ILE 142.A O no hydrogen 2.838 N/A MET 183.A N ARG 238.A O no hydrogen 2.999 N/A VAL 185.A N ASP 240.A O no hydrogen 2.840 N/A LEU 186.A N THR 168.A O no hydrogen 2.861 N/A LEU 187.A N ARG 242.A O no hydrogen 2.702 N/A THR 188.A N ILE 166.A O no hydrogen 2.947 N/A THR 188.A OG1 ILE 244.A O no hydrogen 2.768 N/A HIS 189.A NE2 ASP 162.A OD2 no hydrogen 2.918 N/A SER 191.A N HIS 189.A ND1 no hydrogen 3.059 N/A SER 191.A OG HIS 189.A ND1 no hydrogen 2.643 N/A PHE 192.A N HIS 189.A O no hydrogen 2.877 N/A THR 193.A N SER 196.A O no hydrogen 2.792 N/A THR 193.A OG1 SER 196.A O no hydrogen 3.162 N/A SER 194.A N ASP 247.A OD2 no hydrogen 2.807 N/A SER 194.A OG ASP 247.A OD1 no hydrogen 2.800 N/A SER 194.A OG ASP 247.A OD2 no hydrogen 3.092 N/A SER 196.A N THR 193.A O no hydrogen 3.239 N/A SER 196.A N THR 193.A OG1 no hydrogen 3.048 N/A GLN 201.A N LYS 197.A O no hydrogen 3.158 N/A VAL 202.A N LEU 199.A O no hydrogen 3.108 N/A VAL 203.A N LEU 199.A O no hydrogen 3.115 N/A GLU 204.A N HIS 200.A O no hydrogen 2.803 N/A GLN 205.A N GLN 201.A O no hydrogen 3.209 N/A GLN 205.A NE2 GLU 157.A OE1 no hydrogen 2.845 N/A LEU 206.A N VAL 202.A O no hydrogen 3.084 N/A GLN 207.A N VAL 203.A O no hydrogen 2.928 N/A LYS 208.A N GLU 204.A O no hydrogen 2.897 N/A VAL 209.A N GLN 205.A O no hydrogen 3.096 N/A HIS 210.A N GLN 207.A O no hydrogen 3.069 N/A PHE 211.A N LEU 206.A O no hydrogen 2.864 N/A ILE 212.A N LEU 206.A O no hydrogen 3.086 N/A THR 213.A N VAL 226.A O no hydrogen 2.882 N/A THR 213.A OG1 ASP 214.A OD2 no hydrogen 2.809 N/A THR 213.A OG1 VAL 226.A O no hydrogen 3.526 N/A LEU 216.A N MET 224.A O no hydrogen 2.765 N/A SER 217.A N MET 224.A O no hydrogen 2.985 N/A LYS 218.A NZ HIS 200.A ND1 no hydrogen 3.095 N/A GLY 219.A N LYS 222.A O no hydrogen 3.071 N/A PHE 223.A N ILE 241.A O no hydrogen 2.785 N/A MET 224.A N SER 217.A O no hydrogen 2.800 N/A GLY 225.A N ILE 239.A O no hydrogen 2.930 N/A VAL 226.A N ASP 214.A O no hydrogen 2.987 N/A CYS 227.A N ARG 237.A O no hydrogen 2.769 N/A CYS 227.A SG ARG 237.A O no hydrogen 3.843 N/A GLN 228.A N PHE 211.A O no hydrogen 2.940 N/A GLN 228.A NE2 GLU 233.A OE2 no hydrogen 3.014 N/A GLN 228.A NE2 TYR 234.A O no hydrogen 2.708 N/A HIS 236.A N ASP 137.A OD2 no hydrogen 2.754 N/A ARG 237.A N CYS 227.A O no hydrogen 2.695 N/A ARG 237.A NH2 GLU 146.A OE1 no hydrogen 2.951 N/A ARG 238.A NH1 GLY 225.A O no hydrogen 2.854 N/A ARG 238.A NH1 ILE 239.A O no hydrogen 3.269 N/A ARG 238.A NH1 ASP 240.A OD1 no hydrogen 2.953 N/A ARG 238.A NH2 ASP 240.A OD1 no hydrogen 2.716 N/A ARG 238.A NH2 ASP 240.A OD2 no hydrogen 3.378 N/A ILE 239.A N GLY 225.A O no hydrogen 3.060 N/A ASP 240.A N MET 183.A O no hydrogen 2.901 N/A ILE 241.A N PHE 223.A O no hydrogen 2.789 N/A ARG 242.A N VAL 185.A O no hydrogen 2.840 N/A ARG 242.A NE ASP 184.A OD1 no hydrogen 2.996 N/A ARG 242.A NE ASP 184.A OD2 no hydrogen 3.472 N/A ARG 242.A NH2 ASP 184.A OD1 no hydrogen 3.542 N/A ARG 242.A NH2 ASP 184.A OD2 no hydrogen 3.401 N/A LEU 243.A N THR 221.A O no hydrogen 2.677 N/A ILE 244.A N LEU 187.A O no hydrogen 2.831 N/A LYS 246.A N PHE 192.A O no hydrogen 2.953 N/A GLN 248.A N PRO 245.A O no hydrogen 3.012 N/A TYR 249.A N LYS 246.A O no hydrogen 3.362 N/A TYR 249.A OH THR 168.A OG1 no hydrogen 2.708 N/A TYR 249.A OH LEU 186.A O no hydrogen 2.935 N/A GLY 252.A N GLN 248.A O no hydrogen 3.166 N/A VAL 253.A N TYR 249.A O no hydrogen 2.813 N/A LEU 254.A N TYR 250.A O no hydrogen 2.964 N/A TYR 255.A N CYS 251.A O no hydrogen 3.027 N/A PHE 256.A N GLY 252.A O no hydrogen 2.942 N/A THR 257.A OG1 VAL 253.A O no hydrogen 2.448 N/A GLY 258.A N LEU 254.A O no hydrogen 3.416 N/A SER 259.A N ARG 312.A O no hydrogen 3.054 N/A SER 259.A OG ARG 312.A O no hydrogen 3.194 N/A SER 259.A OG SER 313.A O no hydrogen 2.852 N/A PHE 262.A N SER 259.A OG no hydrogen 3.404 N/A ASN 263.A N SER 259.A O no hydrogen 2.815 N/A ASN 263.A ND2 TYR 255.A O no hydrogen 2.917 N/A LYS 264.A N ASP 260.A O no hydrogen 3.118 N/A ASN 265.A N ILE 261.A O no hydrogen 2.864 N/A MET 266.A N PHE 262.A O no hydrogen 2.718 N/A ARG 267.A N ASN 263.A O no hydrogen 2.889 N/A ALA 268.A N LYS 264.A O no hydrogen 3.119 N/A HIS 269.A N ASN 265.A O no hydrogen 3.073 N/A ALA 270.A N MET 266.A O no hydrogen 3.050 N/A LEU 271.A N ARG 267.A O no hydrogen 3.044 N/A GLU 272.A N ALA 268.A O no hydrogen 3.238 N/A LYS 273.A N ALA 270.A O no hydrogen 3.109 N/A GLY 274.A N LEU 271.A O no hydrogen 3.242 N/A PHE 275.A N ALA 270.A O no hydrogen 2.863 N/A THR 276.A N ARG 283.A O no hydrogen 2.871 N/A ASN 278.A N THR 281.A O no hydrogen 3.288 N/A TYR 280.A N ASN 278.A OD1 no hydrogen 2.802 N/A THR 281.A N ASN 278.A OD1 no hydrogen 2.660 N/A ARG 283.A N THR 276.A O no hydrogen 3.123 N/A LEU 285.A N GLY 274.A O no hydrogen 3.031 N/A GLY 287.A N PRO 284.A O no hydrogen 2.799 N/A LEU 290.A N ILE 282.A O no hydrogen 2.910 N/A ASP 293.A N ASP 297.A OD2 no hydrogen 3.099 N/A LYS 296.A NZ ASP 300.A OD1 no hydrogen 3.182 N/A LYS 296.A NZ ASP 300.A OD2 no hydrogen 2.783 N/A ILE 298.A N GLU 295.A O no hydrogen 3.096 N/A PHE 299.A N GLU 295.A O no hydrogen 3.485 N/A ASP 300.A N LYS 296.A O no hydrogen 2.901 N/A TYR 301.A N ASP 297.A O no hydrogen 3.080 N/A TYR 301.A OH PRO 291.A O no hydrogen 2.997 N/A GLN 303.A N ASP 300.A O no hydrogen 3.314 N/A TRP 304.A N PHE 299.A O no hydrogen 2.700 N/A TYR 306.A OH GLU 295.A OE1 no hydrogen 3.100 N/A ARG 307.A NH1 ASP 311.A O no hydrogen 3.085 N/A ARG 307.A NH1 GLU 314.A OXT no hydrogen 3.218 N/A ASP 311.A N GLU 308.A O no hydrogen 2.817 N/A ARG 312.A N PRO 309.A O no hydrogen 3.186 N/A ARG 312.A NE ARG 307.A O no hydrogen 2.755 N/A ARG 312.A NH1 GLU 295.A OE2 no hydrogen 2.798 N/A ARG 312.A NH2 GLU 295.A OE1 no hydrogen 2.957 N/A ARG 312.A NH2 ARG 307.A O no hydrogen 2.899 N/A