Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wpp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ ASP 33.A OD1 no hydrogen 3.286 N/A ILE 3.A N ASP 33.A O no hydrogen 2.762 N/A VAL 5.A N GLU 35.A O no hydrogen 2.854 N/A PHE 6.A N ILE 73.A O no hydrogen 3.067 N/A HIS 8.A ND1 GLN 9.A O.A no hydrogen 2.825 N/A HIS 8.A ND1 GLN 9.A O.B no hydrogen 2.824 N/A GLN 9.A N.A GLN 82.A O no hydrogen 2.862 N/A GLN 9.A N.B GLN 82.A O no hydrogen 2.860 N/A GLN 9.A NE2.A SER 83.A O no hydrogen 3.116 N/A GLN 9.A NE2.B SER 83.A O no hydrogen 2.655 N/A SER 13.A OG GLU 45.A OE1 no hydrogen 2.679 N/A SER 13.A OG THR 46.A OG1 no hydrogen 2.811 N/A ALA 15.A N ASP 12.A OD2 no hydrogen 2.864 N/A ILE 16.A N ASP 12.A O no hydrogen 3.291 N/A GLY 17.A N SER 13.A O no hydrogen 2.808 N/A SER 18.A N ASP 14.A O no hydrogen 2.815 N/A SER 18.A OG ASP 14.A O no hydrogen 2.757 N/A SER 18.A OG ALA 15.A O no hydrogen 3.347 N/A SER 18.A OG THR 75.A OG1 no hydrogen 2.838 N/A SER 19.A N ALA 15.A O no hydrogen 3.186 N/A SER 19.A OG ALA 15.A O no hydrogen 2.730 N/A SER 19.A OG ILE 16.A O no hydrogen 3.107 N/A TYR 20.A N ILE 16.A O no hydrogen 3.023 N/A ALA 21.A N GLY 17.A O no hydrogen 3.057 N/A PHE 22.A N SER 18.A O no hydrogen 2.852 N/A ALA 23.A N SER 19.A O no hydrogen 2.934 N/A TYR 24.A N TYR 20.A O no hydrogen 3.421 N/A LEU 25.A N ALA 21.A O no hydrogen 3.054 N/A ALA 26.A N PHE 22.A O no hydrogen 2.936 N/A ARG 27.A N ALA 23.A O no hydrogen 3.233 N/A ARG 27.A NH2 THR 34.A O no hydrogen 2.810 N/A GLU 28.A N TYR 24.A O no hydrogen 3.062 N/A ALA 29.A N LEU 25.A O no hydrogen 2.901 N/A TYR 30.A N ALA 26.A O no hydrogen 2.977 N/A LEU 32.A N ALA 26.A O no hydrogen 3.248 N/A THR 34.A OG1 ALA 23.A O no hydrogen 2.765 N/A GLU 35.A N ILE 3.A O no hydrogen 2.996 N/A VAL 37.A N VAL 5.A O no hydrogen 3.058 N/A ALA 38.A N ARG 59.A O no hydrogen 2.775 N/A THR 46.A N ASN 43.A OD1 no hydrogen 2.890 N/A THR 46.A OG1 SER 13.A OG no hydrogen 2.811 N/A THR 46.A OG1 ASN 43.A OD1 no hydrogen 3.250 N/A ALA 47.A N ASN 43.A O no hydrogen 2.831 N/A PHE 48.A N GLU 44.A O no hydrogen 3.181 N/A VAL 49.A N GLU 45.A O no hydrogen 3.189 N/A LEU 50.A N THR 46.A O no hydrogen 2.810 N/A ASP 51.A N ALA 47.A O no hydrogen 3.016 N/A TYR 52.A N PHE 48.A O no hydrogen 2.856 N/A PHE 53.A N VAL 49.A O no hydrogen 3.213 N/A GLY 54.A N ASP 51.A O no hydrogen 3.212 N/A VAL 55.A N LEU 50.A O no hydrogen 3.012 N/A ARG 59.A NE GLU 35.A OE1 no hydrogen 2.783 N/A ARG 59.A NH1 GLU 35.A OE1 no hydrogen 3.497 N/A ARG 59.A NH1 GLU 35.A OE2 no hydrogen 2.894 N/A ARG 59.A NH2 GLU 67.A OE2 no hydrogen 2.775 N/A ILE 61.A N ALA 38.A O no hydrogen 3.050 N/A SER 63.A OG ASP 86.A OD2 no hydrogen 2.796 N/A ALA 64.A N ASP 86.A OD1 no hydrogen 2.922 N/A LYS 65.A N ASP 86.A OD2 no hydrogen 3.076 N/A LYS 65.A NZ GLU 70.A OE1 no hydrogen 2.792 N/A ALA 66.A N SER 63.A OG no hydrogen 2.958 N/A GLU 67.A N SER 63.A O no hydrogen 3.352 N/A GLU 67.A N ALA 64.A O no hydrogen 3.240 N/A GLY 68.A N LYS 65.A O no hydrogen 3.077 N/A ALA 69.A N ALA 64.A O no hydrogen 3.188 N/A GLN 71.A NE2 GLU 91.A OE1 no hydrogen 2.892 N/A VAL 72.A N GLU 91.A O no hydrogen 2.901 N/A ILE 73.A N LEU 4.A O no hydrogen 2.836 N/A LEU 74.A N GLY 94.A O no hydrogen 2.945 N/A THR 75.A N PHE 6.A O no hydrogen 2.953 N/A THR 75.A OG1 SER 18.A OG no hydrogen 2.838 N/A ASP 76.A N VAL 96.A O no hydrogen 2.781 N/A HIS 77.A ND1 THR 75.A O no hydrogen 2.828 N/A HIS 77.A NE2 SER 83.A OG no hydrogen 2.847 N/A ASN 78.A ND2 ASP 97.A OD1 no hydrogen 2.980 N/A ASN 78.A ND2 ARG 100.A O no hydrogen 3.008 N/A PHE 80.A N ASN 103.A O no hydrogen 2.976 N/A GLN 81.A N GLN 81.A OE1 no hydrogen 2.795 N/A GLN 81.A NE2 GLU 79.A OE1 no hydrogen 3.275 N/A GLN 82.A N GLU 79.A O no hydrogen 2.884 N/A SER 83.A N PHE 80.A O no hydrogen 3.093 N/A SER 83.A OG HIS 77.A NE2 no hydrogen 2.847 N/A ILE 87.A N VAL 84.A O no hydrogen 3.064 N/A GLU 89.A N ASP 86.A O no hydrogen 2.790 N/A VAL 90.A N ILE 87.A O no hydrogen 3.390 N/A GLU 91.A N GLU 70.A O no hydrogen 2.945 N/A TYR 93.A N VAL 72.A O no hydrogen 2.914 N/A VAL 95.A N TYR 111.A O no hydrogen 2.934 N/A VAL 96.A N LEU 74.A O no hydrogen 3.047 N/A ASP 97.A N ARG 113.A O.A no hydrogen 3.259 N/A ASP 97.A N ARG 113.A O.B no hydrogen 3.268 N/A HIS 98.A NE2 ASP 76.A OD2 no hydrogen 2.863 N/A HIS 99.A ND1 ASP 97.A OD2 no hydrogen 2.717 N/A ARG 100.A NE GLU 79.A OE2 no hydrogen 3.212 N/A ALA 102.A N ASN 78.A OD1 no hydrogen 3.294 N/A ASN 103.A ND2 GLU 79.A OE1 no hydrogen 3.053 N/A THR 106.A OG1 SER 108.A O.A no hydrogen 2.826 N/A THR 106.A OG1 SER 108.A O.B no hydrogen 2.831 N/A SER 108.A OG.B GLU 91.A OE2 no hydrogen 3.333 N/A SER 108.A OG.B PRO 109.A O no hydrogen 3.549 N/A TYR 111.A N TYR 93.A O no hydrogen 3.054 N/A ARG 113.A N.A VAL 95.A O no hydrogen 2.889 N/A ARG 113.A N.B VAL 95.A O no hydrogen 2.903 N/A ARG 113.A NE.B GLU 115.A OE1 no hydrogen 2.702 N/A ARG 113.A NH1.A GLU 130.A OE1 no hydrogen 2.930 N/A ARG 113.A NH1.B GLU 130.A OE1 no hydrogen 3.091 N/A ARG 113.A NH1.B GLU 130.A OE2 no hydrogen 3.266 N/A ARG 113.A NH2.B GLU 115.A OE1 no hydrogen 2.667 N/A ARG 113.A NH2.B GLU 130.A OE2 no hydrogen 2.887 N/A GLU 115.A N ASP 97.A O no hydrogen 3.319 N/A VAL 117.A N GLU 115.A O no hydrogen 2.854 N/A GLY 118.A N ASP 163.A OD2 no hydrogen 2.880 N/A SER 119.A OG SER 122.A OG no hydrogen 2.785 N/A ALA 120.A N ASP 14.A OD2 no hydrogen 2.787 N/A SER 121.A N ASP 14.A OD1 no hydrogen 2.930 N/A SER 121.A OG ASP 14.A OD1 no hydrogen 2.911 N/A SER 122.A N SER 119.A OG no hydrogen 3.037 N/A SER 122.A OG SER 119.A OG no hydrogen 2.785 N/A SER 122.A OG ASP 163.A OD1 no hydrogen 2.809 N/A VAL 124.A N ALA 120.A O no hydrogen 3.067 N/A TYR 125.A N SER 121.A O no hydrogen 2.956 N/A TYR 125.A OH GLU 169.A OE2 no hydrogen 2.661 N/A ARG 126.A N SER 122.A O no hydrogen 3.129 N/A ARG 126.A NH1 GLU 115.A OE2 no hydrogen 2.686 N/A MET 127.A N ILE 123.A O no hydrogen 2.918 N/A PHE 128.A N VAL 124.A O no hydrogen 3.052 N/A LYS 129.A N TYR 125.A O no hydrogen 3.208 N/A LYS 129.A NZ GLU 169.A OE1 no hydrogen 3.505 N/A LYS 129.A NZ GLU 169.A OE2 no hydrogen 2.985 N/A GLU 130.A N ARG 126.A O no hydrogen 2.991 N/A HIS 131.A N MET 127.A O no hydrogen 3.282 N/A GLY 132.A N LYS 129.A O no hydrogen 3.178 N/A VAL 133.A N PHE 128.A O no hydrogen 2.937 N/A LYS 137.A NZ ALA 174.A O no hydrogen 3.448 N/A GLU 138.A N GLU 138.A OE2 no hydrogen 2.853 N/A ALA 140.A N PRO 136.A O no hydrogen 2.992 N/A GLY 141.A N LYS 137.A O no hydrogen 2.949 N/A LEU 142.A N GLU 138.A O no hydrogen 3.095 N/A MET 143.A N ILE 139.A O no hydrogen 2.904 N/A LEU 144.A N ALA 140.A O no hydrogen 2.825 N/A SER 145.A N GLY 141.A O no hydrogen 2.956 N/A SER 145.A OG GLY 141.A O no hydrogen 2.745 N/A SER 145.A OG TYR 181.A OH no hydrogen 2.696 N/A GLY 146.A N LEU 142.A O no hydrogen 3.011 N/A LEU 147.A N MET 143.A O no hydrogen 2.987 N/A ILE 148.A N LEU 144.A O no hydrogen 2.781 N/A SER 149.A N SER 145.A O no hydrogen 2.808 N/A SER 149.A OG GLU 45.A OE1 no hydrogen 2.751 N/A ASP 150.A N GLY 146.A O no hydrogen 3.054 N/A THR 151.A N LEU 147.A O no hydrogen 3.221 N/A THR 151.A OG1 LEU 147.A O no hydrogen 2.745 N/A LEU 153.A N ILE 148.A O no hydrogen 2.978 N/A LEU 154.A N THR 151.A OG1 no hydrogen 2.961 N/A LYS 155.A N THR 151.A O no hydrogen 2.939 N/A SER 156.A N THR 151.A O no hydrogen 2.890 N/A SER 156.A OG THR 158.A OG1 no hydrogen 2.839 N/A THR 158.A N SER 156.A OG no hydrogen 3.100 N/A THR 158.A OG1 SER 156.A OG no hydrogen 2.839 N/A THR 159.A N SER 156.A O no hydrogen 3.101 N/A THR 159.A OG1 SER 156.A O no hydrogen 2.763 N/A HIS 160.A N ASP 163.A OD2 no hydrogen 2.749 N/A HIS 160.A ND1 THR 162.A OG1 no hydrogen 2.855 N/A THR 162.A N HIS 160.A ND1 no hydrogen 3.246 N/A THR 162.A OG1 HIS 160.A ND1 no hydrogen 2.855 N/A LYS 164.A N HIS 160.A O no hydrogen 3.278 N/A VAL 165.A N PRO 161.A O no hydrogen 3.203 N/A ILE 166.A N THR 162.A O no hydrogen 3.037 N/A ALA 167.A N ASP 163.A O no hydrogen 2.960 N/A LEU 170.A N ILE 166.A O no hydrogen 2.841 N/A ALA 171.A N ALA 167.A O no hydrogen 2.996 N/A GLU 172.A N PRO 168.A O no hydrogen 3.075 N/A LEU 173.A N GLU 169.A O no hydrogen 3.081 N/A ALA 174.A N LEU 170.A O no hydrogen 2.823 N/A GLY 175.A N GLU 172.A O no hydrogen 2.905 N/A VAL 176.A N ALA 171.A O no hydrogen 3.029 N/A GLU 180.A N ASN 177.A OD1 no hydrogen 2.957 N/A TYR 181.A N ASN 177.A O no hydrogen 2.953 N/A TYR 181.A OH SER 145.A OG no hydrogen 2.696 N/A GLY 182.A N LEU 178.A O no hydrogen 2.972 N/A LEU 183.A N GLU 179.A O no hydrogen 2.995 N/A ALA 184.A N GLU 180.A O no hydrogen 3.012 N/A MET 185.A N TYR 181.A O no hydrogen 2.852 N/A LEU 186.A N GLY 182.A O no hydrogen 3.109 N/A LYS 187.A N LEU 183.A O no hydrogen 2.987 N/A ALA 188.A N ALA 184.A O no hydrogen 3.255 N/A GLY 189.A N LEU 186.A O no hydrogen 3.221 N/A THR 190.A N LYS 187.A O no hydrogen 2.949 N/A THR 190.A OG1 LYS 187.A O no hydrogen 2.619 N/A LYS 195.A N LEU 192.A O no hydrogen 2.925 N/A LYS 195.A NZ GLU 44.A OE1 no hydrogen 2.823 N/A LYS 195.A NZ ASN 191.A O no hydrogen 2.802 N/A SER 196.A N GLU 199.A OE2 no hydrogen 3.178 N/A SER 196.A OG GLU 198.A OE2 no hydrogen 3.315 N/A SER 196.A OG GLU 199.A OE2 no hydrogen 3.338 N/A GLU 198.A N GLU 198.A OE2 no hydrogen 2.806 N/A GLU 199.A N SER 196.A OG no hydrogen 3.249 N/A LEU 200.A N SER 196.A O no hydrogen 2.913 N/A ILE 201.A N ALA 197.A O no hydrogen 3.009 N/A ASP 202.A N GLU 199.A O no hydrogen 3.067 N/A ILE 203.A N LEU 200.A O no hydrogen 3.325 N/A LYS 206.A N VAL 217.A O no hydrogen 3.004 N/A PHE 208.A N VAL 215.A O no hydrogen 2.886 N/A LEU 210.A N ASN 213.A O no hydrogen 2.820 N/A ASN 211.A ND2 PHE 308.A O no hydrogen 2.936 N/A ASN 213.A N LEU 210.A O no hydrogen 2.841 N/A ASN 213.A ND2 LEU 210.A O no hydrogen 2.957 N/A VAL 215.A N PHE 208.A O no hydrogen 2.830 N/A ARG 216.A N ASP 250.A O no hydrogen 2.929 N/A ARG 216.A NH1 ASP 202.A OD1 no hydrogen 3.094 N/A ARG 216.A NH2 THR 207.A OG1 no hydrogen 2.895 N/A VAL 217.A N LYS 206.A O no hydrogen 2.831 N/A ALA 218.A N VAL 252.A O no hydrogen 2.953 N/A GLN 219.A N ASP 204.A O no hydrogen 2.878 N/A GLN 219.A NE2 THR 256.A OG1 no hydrogen 2.869 N/A GLN 219.A NE2 VAL 294.A O no hydrogen 2.905 N/A VAL 220.A N MET 254.A O no hydrogen 2.950 N/A THR 222.A N THR 256.A O no hydrogen 2.803 N/A THR 222.A OG1 ASP 224.A O no hydrogen 3.068 N/A ASP 224.A N THR 222.A OG1 no hydrogen 2.910 N/A ALA 226.A N ASP 224.A OD2 no hydrogen 3.188 N/A LEU 229.A N ILE 225.A O no hydrogen 2.900 N/A GLU 230.A N ALA 226.A O no hydrogen 2.900 N/A ARG 231.A N VAL 228.A O no hydrogen 2.907 N/A ARG 231.A NE GLU 234.A OE2 no hydrogen 2.783 N/A ARG 231.A NH1 LYS 195.A O no hydrogen 2.862 N/A ARG 231.A NH1 GLU 234.A OE1 no hydrogen 3.291 N/A ARG 231.A NH1 GLU 234.A OE2 no hydrogen 3.099 N/A ARG 231.A NH2 LEU 192.A O no hydrogen 3.113 N/A ARG 231.A NH2 LYS 195.A O no hydrogen 3.435 N/A GLN 232.A N LEU 229.A O no hydrogen 3.191 N/A GLN 232.A NE2 GLU 236.A OE2 no hydrogen 2.709 N/A GLN 232.A NE2 ASN 285.A O no hydrogen 2.777 N/A ILE 235.A N ARG 231.A O no hydrogen 3.225 N/A GLU 236.A N GLN 232.A O no hydrogen 2.823 N/A ALA 237.A N ALA 233.A O no hydrogen 2.998 N/A ALA 238.A N GLU 234.A O no hydrogen 2.932 N/A ILE 239.A N ILE 235.A O no hydrogen 2.884 N/A GLU 240.A N GLU 236.A O no hydrogen 2.886 N/A LYS 241.A N ALA 237.A O no hydrogen 3.174 N/A ALA 242.A N ALA 238.A O no hydrogen 2.905 N/A ILE 243.A N ILE 239.A O no hydrogen 2.851 N/A ALA 244.A N GLU 240.A O no hydrogen 2.877 N/A ASP 245.A N LYS 241.A O no hydrogen 2.709 N/A ASN 246.A N ALA 242.A O no hydrogen 2.971 N/A ASN 246.A ND2 ALA 242.A O no hydrogen 2.940 N/A GLY 247.A N ILE 243.A O no hydrogen 3.170 N/A SER 249.A N ASN 214.A O no hydrogen 2.879 N/A SER 249.A OG ASN 214.A O no hydrogen 3.372 N/A SER 249.A OG ASP 250.A OD2 no hydrogen 2.631 N/A PHE 251.A N ILE 268.A O no hydrogen 2.845 N/A VAL 252.A N ARG 216.A O no hydrogen 2.753 N/A LEU 253.A N LEU 266.A O no hydrogen 2.686 N/A MET 254.A N ALA 218.A O no hydrogen 2.646 N/A ILE 255.A N GLU 264.A O no hydrogen 2.842 N/A THR 256.A N VAL 220.A O no hydrogen 2.813 N/A THR 256.A OG1 SER 263.A OG no hydrogen 2.780 N/A ASP 257.A N ASN 262.A O no hydrogen 2.831 N/A ILE 258.A N THR 222.A O no hydrogen 3.000 N/A ILE 259.A N ASP 257.A OD2 no hydrogen 3.005 N/A ASN 260.A N ASP 257.A OD2 no hydrogen 2.939 N/A ASN 260.A ND2 ASP 257.A OD1 no hydrogen 3.121 N/A SER 261.A N ASP 257.A O no hydrogen 2.890 N/A SER 263.A N LEU 290.A O no hydrogen 3.086 N/A SER 263.A OG THR 256.A OG1 no hydrogen 2.780 N/A SER 263.A OG ALA 293.A O no hydrogen 2.631 N/A GLU 264.A N ILE 255.A O no hydrogen 2.877 N/A ILE 265.A N ALA 288.A O no hydrogen 2.741 N/A LEU 266.A N LEU 253.A O no hydrogen 2.956 N/A ALA 267.A N ASN 286.A O no hydrogen 2.906 N/A ILE 268.A N PHE 251.A O no hydrogen 2.915 N/A SER 270.A N SER 249.A O no hydrogen 2.882 N/A ASN 271.A N ASP 250.A OD1 no hydrogen 2.641 N/A ASN 271.A ND2 ASN 213.A OD1 no hydrogen 3.474 N/A ASN 271.A ND2 ASP 250.A OD2 no hydrogen 2.845 N/A LYS 274.A N ASN 271.A O no hydrogen 2.914 N/A VAL 275.A N ASN 271.A O no hydrogen 3.203 N/A GLU 276.A N MET 272.A O no hydrogen 2.859 N/A ALA 277.A N ASP 273.A O no hydrogen 2.894 N/A ALA 278.A N LYS 274.A O no hydrogen 2.870 N/A PHE 279.A N VAL 275.A O no hydrogen 3.298 N/A PHE 281.A N GLU 276.A O no hydrogen 3.101 N/A LEU 283.A N GLU 276.A OE1 no hydrogen 2.740 N/A GLU 284.A N HIS 287.A O no hydrogen 2.962 N/A ASN 286.A ND2 GLU 236.A OE2 no hydrogen 2.685 N/A HIS 287.A N GLU 284.A O no hydrogen 3.203 N/A HIS 287.A ND1 GLU 264.A OE1 no hydrogen 2.742 N/A ALA 288.A N ILE 265.A O no hydrogen 2.982 N/A LEU 290.A N SER 263.A O no hydrogen 2.751 N/A GLY 292.A N ASN 262.A OD1 no hydrogen 2.755 N/A ALA 293.A N LEU 290.A O no hydrogen 3.494 N/A VAL 294.A N GLN 299.A OE1 no hydrogen 2.853 N/A SER 295.A N GLN 299.A OE1 no hydrogen 2.835 N/A ARG 296.A NH1 ASP 204.A O no hydrogen 2.823 N/A ARG 296.A NH1 ASP 204.A OD1 no hydrogen 3.357 N/A ARG 296.A NH1 VAL 217.A O no hydrogen 3.081 N/A ARG 296.A NH2 ASP 204.A OD1 no hydrogen 2.658 N/A LYS 298.A N SER 295.A OG no hydrogen 3.007 N/A GLN 299.A N SER 295.A O no hydrogen 2.912 N/A GLN 299.A NE2 GLY 292.A O no hydrogen 3.087 N/A VAL 300.A N ARG 296.A O no hydrogen 3.273 N/A VAL 301.A N ARG 296.A O no hydrogen 2.973 N/A GLN 303.A N GLN 303.A OE1 no hydrogen 2.629 N/A GLN 303.A NE2 LYS 298.A O no hydrogen 3.293 N/A LEU 304.A N VAL 300.A O no hydrogen 3.036 N/A THR 305.A N VAL 301.A O no hydrogen 2.793 N/A THR 305.A OG1 VAL 301.A O no hydrogen 2.664 N/A GLU 306.A N.A PRO 302.A O no hydrogen 2.943 N/A GLU 306.A N.B PRO 302.A O no hydrogen 2.948 N/A SER 307.A N GLN 303.A O no hydrogen 3.141 N/A SER 307.A OG LYS 274.A O no hydrogen 2.731 N/A PHE 308.A N LEU 304.A O no hydrogen 2.763 N/A ASN 309.A N THR 305.A O no hydrogen 3.204 N/A ASN 309.A N GLU 306.A O.A no hydrogen 3.106 N/A ALA 310.A N SER 307.A O no hydrogen 3.203 N/A