Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rpw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N LYS 31.A O no hydrogen 2.948 N/A ILE 6.A N ASP 56.A OD2 no hydrogen 2.739 N/A GLN 7.A NE2 GLU 37.A O no hydrogen 2.863 N/A ASP 8.A N VAL 35.A O no hydrogen 2.886 N/A GLY 10.A N ASP 8.A OD2 no hydrogen 2.884 N/A GLY 14.A N GLY 10.A O no hydrogen 3.044 N/A ASP 15.A N GLY 11.A O no hydrogen 3.122 N/A ALA 16.A N GLY 12.A O no hydrogen 3.067 N/A LEU 17.A N TYR 13.A O no hydrogen 2.855 N/A ARG 18.A N GLY 14.A O no hydrogen 2.972 N/A ARG 18.A NH1 VAL 32.A O no hydrogen 2.803 N/A ARG 18.A NH2 ASP 22.A OD1 no hydrogen 2.957 N/A ARG 18.A NH2 GLU 25.A OE2.B no hydrogen 2.694 N/A LYS 19.A N ASP 15.A O no hydrogen 3.013 N/A VAL 20.A N ALA 16.A O no hydrogen 2.893 N/A ASP 22.A N ARG 18.A O no hydrogen 2.905 N/A GLU 25.A N TYR 21.A O no hydrogen 3.149 N/A LYS 26.A N ASP 22.A O no hydrogen 3.033 N/A GLU 27.A N PRO 23.A O no hydrogen 3.018 N/A THR 28.A N PHE 24.A O no hydrogen 2.920 N/A THR 28.A OG1 PHE 24.A O no hydrogen 2.733 N/A GLY 29.A N GLU 25.A O no hydrogen 2.848 N/A ILE 30.A N THR 28.A OG1 no hydrogen 3.068 N/A LYS 31.A N ASN 3.A O no hydrogen 2.904 N/A VAL 32.A N GLU 25.A OE2.B no hydrogen 2.871 N/A VAL 33.A N VAL 5.A O no hydrogen 2.899 N/A GLU 37.A N ASP 8.A O no hydrogen 3.010 N/A ARG 39.A N GLU 37.A OE2 no hydrogen 2.784 N/A ARG 39.A NE GLU 64.A OE2 no hydrogen 3.133 N/A ARG 39.A NH1 GLU 314.A OE2 no hydrogen 2.857 N/A ARG 39.A NH2 GLU 64.A OE2 no hydrogen 2.857 N/A ARG 39.A NH2 GLU 314.A OE1 no hydrogen 2.882 N/A SER 40.A OG GLN 7.A OE1 no hydrogen 2.729 N/A SER 40.A OG PHE 59.A O no hydrogen 3.106 N/A ARG 43.A NH1 GLU 37.A OE1 no hydrogen 2.843 N/A ILE 44.A N SER 40.A O no hydrogen 2.770 N/A LYS 45.A N GLY 41.A O no hydrogen 3.131 N/A ALA 46.A N PRO 42.A O no hydrogen 2.995 N/A GLN 47.A N ARG 43.A O no hydrogen 2.876 N/A ALA 48.A N ILE 44.A O no hydrogen 2.946 N/A GLU 49.A N LYS 45.A O no hydrogen 3.063 N/A ALA 50.A N ALA 46.A O no hydrogen 2.990 N/A GLY 51.A N GLN 47.A O no hydrogen 3.039 N/A GLN 54.A N GLN 47.A OE1 no hydrogen 2.973 N/A ASP 56.A N ILE 6.A O no hydrogen 2.929 N/A LEU 57.A N ILE 6.A O no hydrogen 3.120 N/A THR 58.A N SER 231.A O no hydrogen 2.960 N/A THR 58.A OG1 SER 231.A O no hydrogen 2.944 N/A PHE 59.A N GLN 7.A OE1 no hydrogen 2.853 N/A ILE 60.A N PHE 229.A O no hydrogen 2.833 N/A PHE 61.A N GLU 64.A OE1 no hydrogen 2.907 N/A GLN 63.A N GLN 63.A OE1 no hydrogen 2.758 N/A GLN 63.A NE2 GLU 314.A OE1 no hydrogen 3.434 N/A GLU 64.A N PHE 61.A O no hydrogen 2.846 N/A THR 65.A N PHE 61.A O no hydrogen 3.238 N/A THR 65.A N ASP 62.A O no hydrogen 3.089 N/A THR 65.A OG1 ASP 62.A O no hydrogen 2.820 N/A LYS 66.A N GLN 63.A O no hydrogen 3.198 N/A LEU 67.A N GLN 63.A O no hydrogen 2.890 N/A LEU 68.A N GLU 64.A O no hydrogen 2.930 N/A GLY 69.A N LYS 66.A O no hydrogen 3.414 N/A CYS 71.A SG LEU 68.A O no hydrogen 3.668 N/A CYS 72.A N LEU 68.A O no hydrogen 2.862 N/A ALA 74.A N ILE 232.A O no hydrogen 2.751 N/A ILE 76.A N LYS 98.A O no hydrogen 2.888 N/A ASP 77.A N TYR 239.A OH no hydrogen 3.072 N/A TYR 78.A OH ARG 97.A O no hydrogen 2.579 N/A SER 79.A N ASP 77.A OD1 no hydrogen 3.151 N/A SER 79.A OG ASP 77.A OD1 no hydrogen 2.696 N/A LYS 80.A N ASP 77.A O no hydrogen 3.003 N/A LEU 81.A N TYR 78.A O no hydrogen 3.126 N/A SER 82.A N SER 247.A OG.A no hydrogen 2.886 N/A SER 82.A OG SER 84.A OG.B no hydrogen 3.144 N/A SER 82.A OG SER 247.A OG.A no hydrogen 3.121 N/A SER 84.A OG.A ASP 251.A OD1 no hydrogen 3.561 N/A SER 84.A OG.B SER 82.A OG no hydrogen 3.144 N/A SER 84.A OG.B ASP 251.A OD1 no hydrogen 2.928 N/A ALA 85.A N SER 82.A OG no hydrogen 2.994 N/A HIS 86.A N SER 82.A O no hydrogen 3.034 N/A HIS 86.A NE2 TYR 78.A O no hydrogen 2.833 N/A LYS 87.A N GLU 83.A O no hydrogen 3.217 N/A LYS 87.A N SER 84.A O no hydrogen 3.049 N/A THR 88.A N SER 84.A O no hydrogen 3.223 N/A THR 88.A OG1 LEU 250.A O no hydrogen 2.625 N/A LEU 89.A N ALA 85.A O no hydrogen 2.945 N/A ALA 90.A N HIS 86.A O no hydrogen 2.926 N/A ALA 91.A N THR 88.A O no hydrogen 3.184 N/A LEU 95.A N PRO 92.A O no hydrogen 3.035 N/A LYS 96.A N ASP 93.A O no hydrogen 3.166 N/A LYS 96.A NZ LEU 89.A O no hydrogen 2.894 N/A ARG 97.A N GLY 100.A O no hydrogen 2.833 N/A ARG 97.A NE ASN 94.A O no hydrogen 2.983 N/A ARG 97.A NH1 ASP 62.A O no hydrogen 3.373 N/A ARG 97.A NH1 ASP 62.A OD1 no hydrogen 2.864 N/A ARG 97.A NH1 THR 65.A OG1 no hydrogen 2.936 N/A ARG 97.A NH2 ASP 62.A OD1 no hydrogen 3.309 N/A ARG 97.A NH2 ASP 62.A OD2 no hydrogen 3.089 N/A ARG 97.A NH2 ASN 94.A O no hydrogen 3.423 N/A ARG 97.A NH2 ASN 94.A OD1 no hydrogen 3.178 N/A LYS 98.A NZ ASP 75.A OD1 no hydrogen 2.755 N/A LYS 99.A NZ LEU 73.A O no hydrogen 2.801 N/A LYS 99.A NZ ASP 75.A OD1 no hydrogen 2.803 N/A GLY 100.A N ARG 97.A O no hydrogen 3.432 N/A VAL 101.A N PHE 230.A O no hydrogen 3.038 N/A ALA 102.A N LEU 95.A O no hydrogen 2.961 N/A LEU 103.A N ASP 228.A O no hydrogen 3.133 N/A VAL 105.A N ALA 265.A O no hydrogen 2.876 N/A ILE 106.A N TYR 226.A O no hydrogen 2.752 N/A VAL 108.A N PHE 224.A O no hydrogen 2.813 N/A GLY 109.A N ALA 202.A O no hydrogen 2.859 N/A VAL 111.A N CYS 200.A O no hydrogen 2.888 N/A TYR 112.A N ASP 217.A O no hydrogen 2.920 N/A ASN 113.A N ASP 199.A O no hydrogen 2.986 N/A LYS 114.A N PRO 215.A O no hydrogen 2.778 N/A ASP 115.A N ASN 113.A OD1 no hydrogen 2.809 N/A LYS 116.A N ASN 113.A OD1 no hydrogen 3.145 N/A LYS 116.A NZ.B ASP 199.A OD1 no hydrogen 2.839 N/A PHE 117.A N ASN 113.A O no hydrogen 3.036 N/A LYS 118.A NZ ASP 115.A O no hydrogen 2.909 N/A LYS 121.A N LYS 118.A O no hydrogen 3.015 N/A GLN 124.A N ASP 128.A OD2 no hydrogen 2.911 N/A TRP 126.A N GLN 222.A OE1 no hydrogen 2.955 N/A TRP 126.A NE1 GLN 222.A O no hydrogen 2.870 N/A ASP 128.A N THR 125.A OG1 no hydrogen 3.071 N/A PHE 129.A N THR 125.A O no hydrogen 3.084 N/A TRP 130.A N TRP 126.A O no hydrogen 2.952 N/A TRP 130.A N ALA 127.A O no hydrogen 3.186 N/A TRP 130.A NE1 LYS 171.A O no hydrogen 2.883 N/A ASP 131.A N ASP 128.A O no hydrogen 3.036 N/A LYS 134.A N ASP 131.A OD1 no hydrogen 3.047 N/A PHE 135.A N ASP 131.A O no hydrogen 2.928 N/A ARG 138.A N ASP 199.A OD2 no hydrogen 2.816 N/A ARG 138.A NH2 GLU 197.A O no hydrogen 3.530 N/A ARG 139.A N HIS 178.A O no hydrogen 2.967 N/A ARG 139.A NE PHE 129.A O no hydrogen 2.764 N/A ARG 139.A NH1 ASP 128.A O no hydrogen 3.544 N/A ARG 139.A NH1 PHE 129.A O no hydrogen 3.067 N/A ARG 139.A NH1 PHE 135.A O no hydrogen 2.741 N/A ARG 139.A NH2 PHE 135.A O no hydrogen 2.803 N/A ARG 139.A NH2 GLY 137.A O no hydrogen 2.753 N/A ALA 142.A N TRP 183.A O no hydrogen 2.889 N/A ARG 145.A NH1 GLU 314.A OE2 no hydrogen 3.551 N/A PHE 146.A N GLU 149.A OE1 no hydrogen 2.802 N/A THR 147.A OG1.A TRP 143.A O no hydrogen 2.623 N/A THR 147.A OG1.A PRO 144.A O no hydrogen 3.358 N/A THR 147.A OG1.B PRO 141.A O no hydrogen 3.241 N/A THR 147.A OG1.B TRP 143.A O no hydrogen 3.542 N/A PHE 148.A N PRO 144.A O no hydrogen 2.913 N/A GLU 149.A N GLU 149.A OE1 no hydrogen 2.847 N/A ALA 150.A N PHE 146.A O no hydrogen 2.793 N/A ALA 151.A N THR 147.A O no hydrogen 2.933 N/A LEU 152.A N PHE 148.A O no hydrogen 2.973 N/A ASP 154.A N ALA 151.A O no hydrogen 3.032 N/A ASP 154.A N LEU 152.A O no hydrogen 3.060 N/A VAL 156.A N LEU 152.A O no hydrogen 3.013 N/A THR 157.A OG1 ASP 159.A OD1 no hydrogen 2.787 N/A LYS 158.A NZ LYS 293.A O no hydrogen 3.123 N/A LYS 158.A NZ ALA 294.A O no hydrogen 3.234 N/A LYS 160.A N THR 157.A O no hydrogen 2.940 N/A TYR 162.A OH GLU 149.A OE2 no hydrogen 2.589 N/A ARG 167.A N ASP 165.A OD1 no hydrogen 3.152 N/A ARG 167.A NE ASP 154.A OD2 no hydrogen 2.725 N/A ARG 167.A NH2 ASP 154.A O no hydrogen 3.092 N/A ARG 167.A NH2 ASP 154.A OD2 no hydrogen 3.350 N/A ALA 168.A N ASP 165.A O no hydrogen 3.077 N/A LYS 170.A N ASP 166.A O no hydrogen 3.131 N/A LYS 171.A N ARG 167.A O no hydrogen 3.207 N/A LYS 171.A NZ GLU 174.A OE1.A no hydrogen 3.457 N/A LYS 171.A NZ GLU 174.A OE1.B no hydrogen 3.415 N/A LYS 171.A NZ GLU 174.A OE2.A no hydrogen 3.492 N/A LEU 172.A N ALA 168.A O no hydrogen 2.883 N/A LYS 173.A N LEU 169.A O no hydrogen 2.943 N/A GLU 174.A N LYS 170.A O no hydrogen 3.327 N/A ILE 175.A N LYS 171.A O no hydrogen 3.330 N/A ILE 175.A N LEU 172.A O no hydrogen 3.210 N/A LYS 176.A N LEU 172.A O no hydrogen 2.823 N/A HIS 178.A N ILE 175.A O no hydrogen 2.724 N/A VAL 179.A N LYS 176.A O no hydrogen 2.907 N/A VAL 180.A N ARG 139.A O no hydrogen 2.941 N/A TRP 183.A NE1 LEU 201.A O no hydrogen 2.918 N/A THR 184.A N GLN 188.A OE1 no hydrogen 2.682 N/A THR 185.A N GLN 188.A OE1 no hydrogen 2.947 N/A GLN 188.A N THR 185.A O no hydrogen 3.076 N/A GLN 191.A N ALA 187.A O no hydrogen 3.493 N/A GLN 191.A NE2 ASP 195.A OD2 no hydrogen 2.895 N/A GLN 191.A NE2 GLU 197.A OE2 no hydrogen 3.375 N/A LEU 192.A N GLN 188.A O no hydrogen 2.827 N/A ILE 193.A N PRO 189.A O no hydrogen 2.977 N/A LEU 194.A N PRO 190.A O no hydrogen 2.924 N/A ASP 195.A N GLN 191.A O no hydrogen 2.936 N/A GLY 196.A N ILE 193.A O no hydrogen 3.179 N/A ALA 198.A N LEU 192.A O no hydrogen 2.951 N/A ASP 199.A N ARG 138.A O no hydrogen 2.782 N/A LEU 201.A N CYS 140.A O no hydrogen 3.077 N/A ALA 202.A N GLY 109.A O no hydrogen 3.050 N/A THR 204.A N GLY 107.A O no hydrogen 2.877 N/A SER 207.A OG THR 204.A O no hydrogen 2.977 N/A LYS 208.A N GLY 205.A O no hydrogen 3.068 N/A LYS 208.A NZ THR 261.A O no hydrogen 3.273 N/A LEU 209.A N SER 206.A O no hydrogen 2.961 N/A LEU 211.A N SER 207.A O no hydrogen 3.012 N/A GLU 212.A N LYS 208.A O no hydrogen 2.919 N/A GLY 213.A N ALA 210.A O no hydrogen 2.981 N/A ALA 214.A N LEU 209.A O no hydrogen 2.944 N/A ILE 216.A N ALA 214.A O no hydrogen 2.701 N/A ASP 217.A N TYR 112.A O no hydrogen 3.021 N/A LEU 218.A N ASP 217.A OD1 no hydrogen 2.737 N/A THR 219.A N LEU 110.A O no hydrogen 3.091 N/A ASN 221.A N THR 219.A OG1 no hydrogen 2.992 N/A ASN 221.A ND2 GLN 124.A O no hydrogen 2.749 N/A GLN 222.A N LYS 293.A O no hydrogen 3.075 N/A GLY 223.A N PHE 220.A O no hydrogen 2.841 N/A PHE 224.A N VAL 108.A O no hydrogen 2.803 N/A TYR 226.A N ILE 106.A O no hydrogen 2.925 N/A ASP 228.A N GLN 104.A O no hydrogen 2.930 N/A PHE 229.A N ILE 60.A O no hydrogen 2.823 N/A PHE 230.A N VAL 101.A O no hydrogen 2.723 N/A SER 231.A N THR 58.A O no hydrogen 2.936 N/A SER 231.A OG LYS 99.A O no hydrogen 2.766 N/A LYS 234.A N CYS 72.A O no hydrogen 2.837 N/A LYS 234.A NZ LEU 73.A O no hydrogen 3.359 N/A ALA 236.A N PRO 233.A O no hydrogen 2.958 N/A ASN 238.A N ASP 56.A OD1 no hydrogen 2.642 N/A ASN 238.A ND2 ASP 56.A OD2 no hydrogen 2.794 N/A TYR 239.A OH ASP 75.A O no hydrogen 2.666 N/A ASN 241.A ND2 ASN 3.A OD1 no hydrogen 2.865 N/A ASN 241.A ND2 VAL 4.A O no hydrogen 2.884 N/A ALA 242.A N ASN 238.A O no hydrogen 2.926 N/A LEU 243.A N TYR 239.A O no hydrogen 3.103 N/A LYS 244.A N ASP 240.A O no hydrogen 3.091 N/A LEU 245.A N ASN 241.A O no hydrogen 2.977 N/A LEU 246.A N ALA 242.A O no hydrogen 2.867 N/A SER 247.A N LEU 243.A O no hydrogen 2.878 N/A SER 247.A OG.B LEU 243.A O no hydrogen 2.947 N/A TRP 248.A N LYS 244.A O no hydrogen 2.937 N/A ARG 249.A N LEU 245.A O no hydrogen 2.916 N/A LEU 250.A N LEU 246.A O no hydrogen 3.065 N/A LEU 250.A N SER 247.A O no hydrogen 3.093 N/A ASP 251.A N TRP 248.A O no hydrogen 3.343 N/A ARG 254.A N ASP 251.A OD2 no hydrogen 2.887 N/A ARG 254.A NH1 TRP 248.A O no hydrogen 3.180 N/A ALA 255.A N ASP 251.A O no hydrogen 2.844 N/A ALA 256.A N PRO 252.A O no hydrogen 2.914 N/A GLN 257.A N LYS 253.A O no hydrogen 2.939 N/A LEU 258.A N ARG 254.A O no hydrogen 2.906 N/A THR 259.A N ALA 255.A O no hydrogen 2.835 N/A THR 259.A OG1 ALA 255.A O no hydrogen 2.900 N/A THR 259.A OG1 ALA 256.A O no hydrogen 3.458 N/A SER 260.A N GLN 257.A O no hydrogen 3.309 N/A SER 260.A OG.A ALA 256.A O no hydrogen 2.654 N/A SER 260.A OG.B GLN 257.A O no hydrogen 3.210 N/A THR 261.A N LEU 258.A O no hydrogen 2.933 N/A THR 261.A OG1 GLN 257.A O no hydrogen 2.792 N/A PHE 262.A N LEU 258.A O no hydrogen 2.964 N/A VAL 264.A N PHE 262.A O no hydrogen 2.803 N/A SER 268.A N LEU 266.A O no hydrogen 2.817 N/A SER 268.A OG THR 88.A O no hydrogen 2.743 N/A SER 268.A OG ALA 91.A O no hydrogen 3.358 N/A LYS 269.A N ALA 91.A O no hydrogen 3.126 N/A VAL 271.A N SER 268.A O no hydrogen 3.186 N/A ASP 273.A N LYS 269.A O no hydrogen 2.946 N/A ALA 274.A N VAL 270.A O no hydrogen 2.968 N/A ALA 274.A N VAL 271.A O no hydrogen 3.217 N/A ALA 275.A N PHE 272.A O no hydrogen 3.122 N/A LYS 278.A NZ PHE 272.A O no hydrogen 3.449 N/A LYS 278.A NZ ASP 273.A O no hydrogen 2.745 N/A LYS 278.A NZ ALA 275.A O no hydrogen 2.710 N/A ASN 279.A N ASP 277.A OD1 no hydrogen 2.956 N/A ALA 281.A N LYS 278.A O no hydrogen 3.152 N/A ARG 282.A N ASN 279.A O no hydrogen 3.125 N/A TYR 283.A N ILE 280.A O no hydrogen 3.078 N/A TRP 284.A N ALA 281.A O no hydrogen 3.065 N/A ASN 287.A N TRP 284.A O no hydrogen 3.101 N/A ASN 287.A ND2 ALA 281.A O no hydrogen 3.172 N/A GLU 289.A N ASN 287.A OD1 no hydrogen 2.900 N/A ASN 290.A ND2 ARG 282.A O no hydrogen 2.971 N/A ASN 290.A ND2 TRP 284.A O no hydrogen 2.916 N/A VAL 291.A N ASN 287.A O no hydrogen 2.919 N/A ALA 292.A N PRO 288.A O no hydrogen 2.923 N/A ALA 294.A N ASN 290.A O no hydrogen 3.113 N/A ALA 294.A N VAL 291.A O no hydrogen 3.257 N/A ILE 295.A N GLY 223.A O no hydrogen 2.828 N/A SER 298.A N TYR 162.A OH no hydrogen 3.119 N/A PHE 301.A N SER 298.A OG no hydrogen 3.024 N/A TRP 302.A N SER 298.A O no hydrogen 3.316 N/A TRP 302.A NE1 GLU 149.A OE2 no hydrogen 2.786 N/A GLY 303.A N PRO 299.A O no hydrogen 2.998 N/A ALA 304.A N PHE 301.A O no hydrogen 3.075 N/A SER 306.A N SER 311.A O no hydrogen 2.902 N/A SER 306.A OG SER 311.A O no hydrogen 3.284 N/A SER 306.A OG SER 311.A OG no hydrogen 2.776 N/A ALA 308.A N SER 306.A OG no hydrogen 3.182 N/A SER 311.A OG SER 306.A OG no hydrogen 2.776 N/A THR 312.A N GLU 315.A OE1 no hydrogen 2.881 N/A ASN 313.A N ALA 304.A O no hydrogen 2.828 N/A ASN 313.A ND2 PHE 301.A O no hydrogen 2.897 N/A GLU 314.A N TRP 302.A O no hydrogen 3.030 N/A GLU 315.A N THR 312.A OG1 no hydrogen 3.088 N/A TYR 316.A N THR 312.A O no hydrogen 2.994 N/A GLY 317.A N ASN 313.A O no hydrogen 2.859 N/A GLN 318.A N GLU 314.A O no hydrogen 2.827 N/A GLN 318.A NE2 ALA 142.A O no hydrogen 3.312 N/A GLN 318.A NE2 GLN 318.A O no hydrogen 3.636 N/A GLN 318.A NE2 ASN 322.A OD1 no hydrogen 3.095 N/A GLU 319.A N GLU 315.A O no hydrogen 2.956 N/A LYS 320.A N TYR 316.A O no hydrogen 3.150 N/A LEU 321.A N GLY 317.A O no hydrogen 2.893 N/A ASN 322.A N GLN 318.A O no hydrogen 2.712 N/A ALA 323.A N GLU 319.A O no hydrogen 3.230 N/A