Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pnw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N SER 83.A O no hydrogen 2.981 N/A SER 2.A OG ASP 4.A OD2 no hydrogen 3.075 N/A ASP 4.A N ARG 81.A O no hydrogen 3.033 N/A VAL 6.A N PRO 79.A O no hydrogen 2.983 N/A SER 7.A N ASP 10.A OD2 no hydrogen 2.974 N/A ARG 9.A N SER 7.A OG no hydrogen 3.053 N/A ASP 10.A N SER 7.A O no hydrogen 2.824 N/A LEU 11.A N PHE 8.A O no hydrogen 3.194 N/A TRP 14.A N LEU 11.A O no hydrogen 3.000 N/A TRP 14.A NE1 GLU 74.A OE2 no hydrogen 2.900 N/A GLN 16.A N GLY 13.A O no hydrogen 2.947 N/A ASP 17.A N TRP 14.A O no hydrogen 3.020 N/A ARG 20.A N ASP 18.A OD1 no hydrogen 3.103 N/A ARG 20.A NE ASP 18.A OD1 no hydrogen 3.053 N/A ARG 20.A NE ASP 18.A OD2 no hydrogen 3.251 N/A ARG 20.A NH2 ASP 18.A OD2 no hydrogen 2.813 N/A LEU 22.A N PRO 19.A O no hydrogen 2.992 N/A PHE 23.A N ARG 20.A O no hydrogen 3.210 N/A MET 26.A N LEU 22.A O no hydrogen 2.818 N/A ALA 27.A N PHE 23.A O no hydrogen 2.928 N/A THR 28.A N PRO 24.A O no hydrogen 3.058 N/A THR 28.A OG1 ALA 25.A O no hydrogen 2.644 N/A ILE 29.A N ALA 25.A O no hydrogen 3.066 N/A LEU 30.A N MET 26.A O no hydrogen 2.909 N/A SER 31.A N ALA 27.A O no hydrogen 2.983 N/A HIS 32.A N THR 28.A O no hydrogen 2.951 N/A LEU 33.A N ILE 29.A O no hydrogen 2.834 N/A ARG 34.A N LEU 30.A O no hydrogen 2.973 N/A ARG 34.A NH1 GLU 59.A OE2 no hydrogen 2.873 N/A ARG 34.A NH2 GLU 56.A OE2 no hydrogen 2.968 N/A ARG 34.A NH2 GLU 59.A OE1 no hydrogen 2.776 N/A ARG 34.A NH2 GLU 59.A OE2 no hydrogen 3.554 N/A ASN 35.A N HIS 32.A O no hydrogen 2.964 N/A ASN 35.A ND2.B SER 31.A O no hydrogen 2.731 N/A TYR 39.A OH ALA 260.A O no hydrogen 2.711 N/A GLY 42.A N THR 278.A OG1 no hydrogen 2.906 N/A ALA 43.A N LEU 275.A O no hydrogen 2.816 N/A LEU 44.A N ILE 276.A O no hydrogen 2.918 N/A THR 47.A N GLU 50.A OE1 no hydrogen 3.051 N/A GLU 50.A N THR 47.A OG1 no hydrogen 2.977 N/A LEU 51.A N THR 47.A O no hydrogen 3.051 N/A VAL 52.A N ALA 48.A O no hydrogen 2.896 N/A SER 53.A N ALA 49.A O no hydrogen 3.350 N/A SER 53.A N GLU 50.A O no hydrogen 3.148 N/A SER 53.A OG GLU 50.A O no hydrogen 2.598 N/A LEU 55.A N LEU 51.A O no hydrogen 3.022 N/A GLU 56.A N VAL 52.A O no hydrogen 2.852 N/A LEU 57.A N SER 53.A O no hydrogen 3.292 N/A ALA 58.A N LEU 54.A O no hydrogen 3.064 N/A GLU 59.A N LEU 55.A O no hydrogen 2.971 N/A ARG 60.A N GLU 56.A O no hydrogen 3.090 N/A GLY 61.A N LEU 57.A O no hydrogen 3.162 N/A GLY 61.A N ALA 58.A O no hydrogen 3.212 N/A GLN 62.A NE2 ASN 64.A OD1 no hydrogen 3.391 N/A ASN 64.A N GLN 68.A OE1 no hydrogen 2.676 N/A GLN 68.A N SER 65.A OG no hydrogen 2.960 N/A ALA 69.A N SER 65.A O no hydrogen 2.997 N/A ARG 70.A N PRO 66.A O no hydrogen 2.951 N/A ARG 70.A NH1 ASP 17.A O no hydrogen 2.803 N/A ARG 70.A NH2 GLU 67.A OE2 no hydrogen 2.787 N/A GLN 71.A N GLU 67.A O no hydrogen 2.936 N/A GLN 71.A NE2 GLN 71.A O no hydrogen 3.375 N/A GLN 71.A NE2 THR 75.A OG1 no hydrogen 2.979 N/A PHE 72.A N GLN 68.A O no hydrogen 3.003 N/A GLU 74.A N ARG 70.A O no hydrogen 3.040 N/A THR 75.A N GLN 71.A O no hydrogen 2.953 N/A THR 75.A OG1 GLN 71.A O no hydrogen 3.137 N/A ASN 76.A N PHE 72.A O no hydrogen 3.054 N/A ASN 76.A N PHE 73.A O no hydrogen 3.306 N/A ASN 76.A ND2 PHE 72.A O no hydrogen 3.052 N/A SER 77.A N PHE 73.A O no hydrogen 2.866 N/A SER 77.A OG PHE 73.A O no hydrogen 2.667 N/A VAL 78.A N LEU 345.A O no hydrogen 2.830 N/A PHE 80.A N ILE 343.A O no hydrogen 2.893 N/A ARG 81.A N ASP 4.A O no hydrogen 2.855 N/A ILE 82.A N PHE 341.A O no hydrogen 2.894 N/A SER 83.A N SER 2.A O no hydrogen 2.802 N/A SER 85.A OG GLY 86.A O no hydrogen 3.456 N/A SER 85.A OG GLU 338.A OE1 no hydrogen 2.986 N/A PHE 87.A N ALA 316.A O no hydrogen 2.914 N/A VAL 88.A N ASN 337.A O no hydrogen 2.792 N/A THR 89.A N GLY 318.A O no hydrogen 2.998 N/A THR 89.A OG1 ASP 319.A OD1 no hydrogen 2.657 N/A PHE 91.A N ILE 320.A O no hydrogen 2.875 N/A TYR 92.A N GLN 179.A OE1 no hydrogen 3.241 N/A GLU 93.A N GLY 323.A O no hydrogen 2.855 N/A LEU 96.A N ARG 183.A O no hydrogen 2.871 N/A VAL 98.A N VAL 185.A O no hydrogen 2.979 N/A SER 99.A N TRP 166.A O no hydrogen 2.861 N/A SER 99.A OG THR 101.A O no hydrogen 3.045 N/A SER 99.A OG THR 101.A OG1.A no hydrogen 3.263 N/A THR 101.A N SER 99.A OG no hydrogen 3.045 N/A THR 101.A OG1.A SER 99.A OG no hydrogen 3.263 N/A ASP 103.A N TRP 106.A O no hydrogen 3.004 N/A VAL 105.A N ASP 103.A OD1 no hydrogen 2.827 N/A TRP 106.A N ASP 103.A OD1 no hydrogen 2.939 N/A ARG 107.A N ALA 167.A O no hydrogen 3.057 N/A TYR 108.A N ALA 167.A O no hydrogen 3.050 N/A ILE 110.A N ALA 165.A O no hydrogen 2.871 N/A ARG 112.A N LEU 162.A O no hydrogen 2.868 N/A ARG 112.A NH2 GLY 161.A O no hydrogen 3.013 N/A ARG 113.A NE LEU 117.A O no hydrogen 2.957 N/A ARG 113.A NH2 LEU 117.A O no hydrogen 2.895 N/A ARG 113.A NH2 ASP 119.A OD2 no hydrogen 2.865 N/A GLU 116.A N GLU 116.A OE1 no hydrogen 2.839 N/A LEU 117.A N PRO 114.A O no hydrogen 3.058 N/A VAL 118.A N GLY 136.A O no hydrogen 2.912 N/A ILE 120.A N ALA 134.A O no hydrogen 2.892 N/A ASP 121.A N ASN 124.A OD1 no hydrogen 2.935 N/A ASP 123.A N ASP 121.A OD1 no hydrogen 2.989 N/A ASN 124.A N ASP 121.A O no hydrogen 3.139 N/A ASN 124.A ND2 ASP 119.A O no hydrogen 2.868 N/A ARG 125.A N ASP 121.A O no hydrogen 2.977 N/A PHE 129.A N PRO 126.A O no hydrogen 3.078 N/A ASP 130.A N TYR 145.A OH no hydrogen 2.864 N/A SER 132.A N ASP 130.A OD1 no hydrogen 2.922 N/A SER 132.A OG ASP 130.A OD1 no hydrogen 2.618 N/A SER 132.A OG ASP 130.A OD2 no hydrogen 3.358 N/A TYR 133.A N ASP 130.A O no hydrogen 2.980 N/A TYR 133.A OH HIS 202.A ND1 no hydrogen 2.777 N/A GLY 136.A N VAL 118.A O no hydrogen 2.940 N/A LYS 137.A N SER 144.A O no hydrogen 2.757 N/A ALA 138.A N GLU 116.A O no hydrogen 2.820 N/A ASP 139.A N GLY 142.A O no hydrogen 2.893 N/A GLY 142.A N ASP 139.A O no hydrogen 3.236 N/A SER 144.A N LYS 137.A O no hydrogen 2.893 N/A SER 144.A OG ASP 139.A OD2 no hydrogen 2.762 N/A ARG 149.A N ARG 246.A O no hydrogen 3.014 N/A ARG 149.A NE ASN 245.A O no hydrogen 3.041 N/A ARG 149.A NE SER 247.A O no hydrogen 3.040 N/A ARG 149.A NH1 HIS 177.A ND1 no hydrogen 3.523 N/A ARG 149.A NH2 HIS 177.A ND1 no hydrogen 3.125 N/A ARG 150.A NE GLU 154.A OE2 no hydrogen 2.837 N/A ARG 150.A NH2 GLU 154.A OE2 no hydrogen 3.458 N/A ALA 151.A N ASP 148.A OD1 no hydrogen 3.096 N/A ILE 152.A N ASP 148.A O no hydrogen 3.059 N/A ASP 153.A N ARG 149.A O no hydrogen 2.783 N/A GLU 154.A N ARG 150.A O no hydrogen 2.832 N/A GLY 155.A N ILE 152.A O no hydrogen 2.928 N/A CYS 156.A N ALA 151.A O no hydrogen 3.240 N/A CYS 156.A SG ALA 151.A O no hydrogen 3.467 N/A ARG 158.A N GLY 155.A O no hydrogen 3.242 N/A ARG 160.A NH1 GLU 116.A OE1 no hydrogen 3.496 N/A ARG 160.A NH1 GLU 116.A OE2 no hydrogen 2.858 N/A ARG 160.A NH2 GLU 116.A OE1 no hydrogen 2.822 N/A ILE 164.A N ILE 110.A O no hydrogen 2.758 N/A TRP 166.A N SER 99.A O no hydrogen 2.914 N/A ALA 167.A N TYR 108.A O no hydrogen 2.772 N/A LYS 170.A NZ ASP 239.A OD1 no hydrogen 2.730 N/A LYS 170.A NZ ASP 239.A OD2 no hydrogen 3.538 N/A ASP 172.A N SER 169.A OG no hydrogen 2.997 N/A LEU 173.A N SER 169.A O no hydrogen 3.095 N/A PHE 174.A N LYS 170.A O no hydrogen 2.859 N/A PHE 175.A N VAL 171.A O no hydrogen 2.988 N/A VAL 176.A N ASP 172.A O no hydrogen 3.080 N/A HIS 177.A N LEU 173.A O no hydrogen 3.003 N/A VAL 178.A N PHE 174.A O no hydrogen 3.055 N/A GLN 179.A N PHE 175.A O no hydrogen 2.894 N/A GLN 179.A NE2 PHE 175.A O no hydrogen 3.312 N/A GLY 180.A N VAL 176.A O no hydrogen 2.812 N/A ALA 182.A N ILE 194.A O no hydrogen 3.050 N/A ARG 183.A N PRO 94.A O no hydrogen 2.775 N/A LEU 184.A N LYS 192.A O no hydrogen 2.714 N/A VAL 185.A N LEU 96.A O no hydrogen 2.951 N/A PHE 186.A N ALA 190.A O no hydrogen 2.879 N/A GLY 189.A N PHE 186.A O no hydrogen 2.935 N/A ALA 190.A N ASP 188.A OD1 no hydrogen 3.132 N/A LYS 192.A N LEU 184.A O no hydrogen 2.934 N/A LYS 192.A NZ GLU 253.A OE2 no hydrogen 3.146 N/A ARG 193.A NE GLU 93.A OE1 no hydrogen 3.309 N/A ARG 193.A NE GLU 93.A OE2 no hydrogen 2.645 N/A ARG 193.A NH2 GLU 93.A OE1 no hydrogen 2.813 N/A ILE 194.A N ALA 182.A O no hydrogen 2.978 N/A THR 195.A N ARG 252.A O no hydrogen 2.973 N/A THR 195.A OG1 ILE 257.A O no hydrogen 2.600 N/A TYR 196.A N GLY 180.A O no hydrogen 2.943 N/A ALA 197.A N PHE 250.A O no hydrogen 2.823 N/A ALA 198.A N PHE 250.A O no hydrogen 3.317 N/A ALA 200.A N TYR 248.A O no hydrogen 2.942 N/A HIS 202.A ND1 TYR 133.A OH no hydrogen 2.777 N/A HIS 202.A NE2 PHE 146.A O no hydrogen 2.745 N/A SER 205.A N ASN 245.A OD1 no hydrogen 3.059 N/A SER 205.A OG HIS 244.A O no hydrogen 3.509 N/A LEU 210.A N PRO 206.A O no hydrogen 3.438 N/A LEU 211.A N ILE 207.A O no hydrogen 2.939 N/A LEU 212.A N GLY 208.A O no hydrogen 2.903 N/A ASP 213.A N ARG 209.A O no hydrogen 2.820 N/A ARG 214.A N LEU 210.A O no hydrogen 3.018 N/A GLY 215.A N LEU 212.A O no hydrogen 2.914 N/A GLU 216.A N LEU 211.A O no hydrogen 2.802 N/A LYS 220.A N ASP 218.A OD1 no hydrogen 2.936 N/A THR 221.A N ASP 218.A O no hydrogen 3.041 N/A THR 221.A OG1 ASP 218.A O no hydrogen 3.389 N/A SER 223.A N THR 226.A OG1 no hydrogen 3.059 N/A MET 224.A N GLY 333.A O no hydrogen 2.993 N/A GLN 225.A N GLN 225.A OE1 no hydrogen 2.858 N/A GLN 225.A NE2 GLU 330.A O no hydrogen 3.070 N/A GLN 225.A NE2 GLU 330.A OE1 no hydrogen 3.181 N/A THR 226.A N SER 223.A OG no hydrogen 3.156 N/A THR 226.A OG1 SER 223.A O no hydrogen 3.245 N/A ILE 227.A N SER 223.A O no hydrogen 3.055 N/A ARG 228.A N MET 224.A O no hydrogen 2.911 N/A ARG 228.A NH1 ASP 172.A OD1 no hydrogen 2.756 N/A GLN 229.A N GLN 225.A O no hydrogen 2.926 N/A GLN 229.A NE2 ASP 233.A OD1 no hydrogen 3.241 N/A GLN 229.A NE2 ASP 233.A OD2 no hydrogen 3.154 N/A TRP 230.A N THR 226.A O no hydrogen 2.955 N/A LEU 231.A N ILE 227.A O no hydrogen 2.998 N/A ALA 232.A N ARG 228.A O no hydrogen 2.815 N/A ASP 233.A N GLN 229.A O no hydrogen 2.885 N/A HIS 234.A N LEU 231.A O no hydrogen 3.232 N/A HIS 234.A ND1 TRP 230.A O no hydrogen 2.823 N/A GLU 237.A N HIS 234.A O no hydrogen 2.960 N/A VAL 238.A N PRO 235.A O no hydrogen 3.395 N/A VAL 241.A N GLU 237.A O no hydrogen 3.348 N/A LEU 242.A N VAL 238.A O no hydrogen 2.885 N/A TRP 243.A N ASP 239.A O no hydrogen 2.859 N/A TRP 243.A NE1 ASP 153.A OD2 no hydrogen 2.715 N/A HIS 244.A N VAL 241.A O no hydrogen 3.208 N/A ASN 245.A N LEU 242.A O no hydrogen 2.984 N/A ARG 246.A NE ASP 148.A OD2 no hydrogen 3.228 N/A ILE 249.A N HIS 177.A ND1 no hydrogen 3.141 N/A PHE 250.A N ALA 198.A O no hydrogen 2.883 N/A PHE 251.A N TYR 111.A O no hydrogen 3.062 N/A ARG 252.A N THR 195.A O no hydrogen 2.991 N/A ALA 254.A N ARG 193.A O no hydrogen 2.931 N/A ALA 259.A N ASP 307.A OD1 no hydrogen 3.116 N/A ALA 260.A N LEU 306.A O no hydrogen 3.322 N/A LYS 261.A N ALA 258.A O no hydrogen 2.853 N/A LEU 264.A N PRO 256.A O no hydrogen 2.859 N/A GLY 267.A N PHE 321.A O no hydrogen 2.704 N/A ARG 268.A N VAL 265.A O no hydrogen 2.922 N/A ARG 268.A NH1 ASP 17.A OD1 no hydrogen 3.151 N/A ARG 268.A NH1 ASP 17.A OD2 no hydrogen 3.025 N/A ARG 268.A NH1 LEU 302.A O no hydrogen 2.920 N/A ARG 268.A NH2 ASP 17.A OD1 no hydrogen 2.842 N/A ALA 269.A N VAL 265.A O no hydrogen 3.089 N/A LEU 270.A N LEU 304.A O no hydrogen 2.830 N/A ALA 271.A N ASP 319.A O no hydrogen 2.804 N/A VAL 272.A N ASP 307.A O no hydrogen 2.957 N/A LEU 275.A N ASP 273.A OD1 no hydrogen 2.843 N/A ILE 276.A N ASP 273.A O no hydrogen 3.273 N/A HIS 277.A N ASP 273.A O no hydrogen 2.966 N/A HIS 277.A NE2 PRO 315.A O no hydrogen 2.858 N/A THR 278.A OG1 ILE 46.A O no hydrogen 2.475 N/A GLY 280.A N ALA 305.A O no hydrogen 2.714 N/A PHE 283.A N MET 303.A O no hydrogen 2.849 N/A PHE 284.A N TYR 342.A O no hydrogen 2.733 N/A ILE 285.A N ARG 301.A O no hydrogen 2.942 N/A HIS 286.A N ASP 340.A O no hydrogen 3.021 N/A ALA 287.A N PHE 299.A O no hydrogen 2.841 N/A LEU 290.A N ALA 287.A O no hydrogen 2.894 N/A HIS 292.A NE2 LEU 331.A O no hydrogen 2.766 N/A ASP 294.A N THR 291.A O no hydrogen 3.180 N/A GLY 296.A N THR 291.A O no hydrogen 2.905 N/A LYS 297.A N ASP 294.A O no hydrogen 3.095 N/A PHE 299.A N LEU 290.A O no hydrogen 2.922 N/A ARG 301.A N ILE 285.A O no hydrogen 3.120 N/A ARG 301.A NH1 GLY 267.A O no hydrogen 2.931 N/A ARG 301.A NH2 LEU 293.A O no hydrogen 3.154 N/A ARG 301.A NH2 ASP 294.A OD1 no hydrogen 2.993 N/A ARG 301.A NH2 ASP 294.A OD2 no hydrogen 3.211 N/A LEU 302.A N ASP 17.A OD2 no hydrogen 2.861 N/A MET 303.A N PHE 283.A O no hydrogen 2.735 N/A LEU 304.A N ARG 268.A O no hydrogen 2.917 N/A ALA 305.A N LEU 281.A O no hydrogen 3.044 N/A LEU 306.A N LEU 270.A O no hydrogen 2.927 N/A THR 308.A OG1 VAL 272.A O no hydrogen 2.747 N/A ILE 312.A N GLY 309.A O no hydrogen 3.019 N/A GLY 314.A N ASP 273.A OD2 no hydrogen 2.792 N/A ARG 317.A NH1 THR 89.A OG1 no hydrogen 2.945 N/A ARG 317.A NH2 THR 89.A OG1 no hydrogen 3.249 N/A GLY 318.A N PHE 87.A O no hydrogen 3.056 N/A ASP 319.A N ALA 271.A O no hydrogen 3.011 N/A ILE 320.A N THR 89.A O no hydrogen 2.844 N/A PHE 321.A N ALA 269.A O no hydrogen 2.948 N/A THR 322.A N PHE 91.A O no hydrogen 2.927 N/A THR 322.A OG1 PHE 91.A O no hydrogen 3.394 N/A THR 322.A OG1 ALA 328.A O no hydrogen 2.775 N/A SER 324.A OG GLU 93.A OE1 no hydrogen 2.552 N/A GLY 325.A N GLU 93.A O no hydrogen 2.768 N/A GLY 329.A N GLY 325.A O no hydrogen 3.074 N/A GLU 330.A N PHE 326.A O no hydrogen 2.946 N/A LEU 331.A N GLU 327.A O no hydrogen 2.966 N/A ALA 332.A N ALA 328.A O no hydrogen 2.960 N/A GLY 333.A N GLY 329.A O no hydrogen 2.951 N/A VAL 335.A N ALA 332.A O no hydrogen 3.100 N/A ARG 336.A N ASN 337.A OD1 no hydrogen 3.028 N/A ARG 336.A NE ILE 222.A O no hydrogen 3.396 N/A ARG 336.A NH2 LYS 220.A O no hydrogen 3.565 N/A ARG 336.A NH2 ILE 222.A O no hydrogen 3.298 N/A ASN 337.A N VAL 88.A O no hydrogen 2.919 N/A ASN 337.A ND2 THR 289.A OG1 no hydrogen 2.856 N/A ALA 339.A N GLY 86.A O no hydrogen 2.921 N/A ASP 340.A N HIS 286.A O no hydrogen 2.813 N/A TYR 342.A N PHE 284.A O no hydrogen 2.954 N/A ILE 343.A N PHE 80.A O no hydrogen 2.853 N/A LEU 344.A N PRO 282.A O no hydrogen 2.941 N/A LEU 345.A N VAL 78.A O no hydrogen 2.854 N/A ARG 347.A N ASN 76.A O no hydrogen 3.313 N/A ALA 350.A N PRO 346.A O no hydrogen 2.979 N/A ARG 352.A NH1 GLY 45.A O no hydrogen 2.913 N/A ARG 352.A NH1 GLU 50.A OE1 no hydrogen 2.839 N/A ARG 352.A NH1 GLU 50.A OE2 no hydrogen 3.319 N/A ARG 352.A NH2 GLU 50.A OE2 no hydrogen 2.716 N/A TYR 353.A N ALA 350.A O no hydrogen 2.901 N/A TYR 353.A OH LEU 44.A O no hydrogen 2.646 N/A ARG 354.A N ALA 350.A O no hydrogen 3.168 N/A ARG 354.A N GLU 351.A O no hydrogen 3.021 N/A ARG 354.A NE GLU 5.A OE1 no hydrogen 3.045 N/A ARG 354.A NE GLU 5.A OE2 no hydrogen 3.130 N/A ARG 354.A NH2 GLU 5.A OE2 no hydrogen 2.740 N/A