Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pyf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N VAL 12.A O no hydrogen 2.692 N/A LYS 4.A NZ GLY 6.A O no hydrogen 2.887 N/A LYS 4.A NZ SER 8.A O no hydrogen 3.085 N/A LEU 5.A N LEU 10.A O no hydrogen 2.942 N/A GLY 6.A N LYS 4.A O no hydrogen 2.999 N/A LYS 7.A N ASN 194.A O no hydrogen 2.865 N/A LYS 7.A NZ GLY 166.A O no hydrogen 3.071 N/A LYS 7.A NZ VAL 168.A O no hydrogen 2.747 N/A SER 8.A N LEU 5.A O no hydrogen 3.193 N/A SER 8.A OG LEU 5.A O no hydrogen 2.768 N/A LEU 10.A N SER 8.A OG no hydrogen 3.123 N/A VAL 12.A N ALA 3.A O no hydrogen 2.782 N/A PHE 13.A N THR 49.A OG1 no hydrogen 2.918 N/A GLY 16.A N LEU 273.A O no hydrogen 2.756 N/A GLY 18.A N PRO 275.A O no hydrogen 3.348 N/A THR 19.A N ASP 51.A O no hydrogen 2.950 N/A THR 19.A OG1 ASP 51.A O no hydrogen 2.805 N/A THR 19.A OG1 SER 61.A OG no hydrogen 3.192 N/A VAL 22.A N THR 19.A O no hydrogen 2.965 N/A HIS 25.A N GLY 23.A O no hydrogen 2.853 N/A HIS 25.A NE2 GLU 33.A OE2 no hydrogen 2.946 N/A ASN 26.A ND2 ILE 55.A O no hydrogen 2.904 N/A LEU 27.A N GLY 24.A O no hydrogen 2.912 N/A TYR 28.A N GLY 24.A O no hydrogen 3.087 N/A TYR 28.A OH ASN 20.A OD1 no hydrogen 2.932 N/A THR 35.A N ASN 32.A OD1 no hydrogen 3.012 N/A GLY 36.A N ASN 32.A O no hydrogen 3.120 N/A LYS 37.A N GLU 33.A O no hydrogen 2.936 N/A LYS 37.A NZ GLU 67.A OE1 no hydrogen 2.897 N/A GLU 38.A N GLU 34.A O no hydrogen 2.890 N/A LEU 39.A N THR 35.A O no hydrogen 3.102 N/A VAL 40.A N GLY 36.A O no hydrogen 3.157 N/A ARG 41.A N LYS 37.A O no hydrogen 2.914 N/A ARG 41.A NE GLU 71.A OE1 no hydrogen 2.826 N/A ARG 41.A NH1 GLU 38.A OE1 no hydrogen 2.874 N/A ARG 41.A NH2 GLU 71.A OE2 no hydrogen 2.899 N/A GLU 42.A N GLU 38.A O no hydrogen 2.730 N/A ALA 43.A N LEU 39.A O no hydrogen 2.906 N/A ILE 44.A N VAL 40.A O no hydrogen 3.065 N/A ARG 45.A N ARG 41.A O no hydrogen 2.908 N/A ASN 46.A N GLU 42.A O no hydrogen 2.909 N/A ASN 46.A ND2 GLU 42.A O no hydrogen 2.746 N/A ASN 46.A ND2 GLU 42.A OE1 no hydrogen 3.290 N/A GLY 47.A N ILE 44.A O no hydrogen 3.097 N/A VAL 48.A N ALA 43.A O no hydrogen 3.036 N/A ASP 51.A N LEU 17.A O no hydrogen 3.015 N/A THR 52.A N ALA 80.A O no hydrogen 2.914 N/A THR 52.A OG1 SER 61.A OG no hydrogen 2.946 N/A ALA 53.A N THR 52.A OG1 no hydrogen 2.791 N/A TYR 54.A N LYS 82.A O no hydrogen 3.113 N/A TYR 56.A N ALA 53.A O no hydrogen 3.053 N/A GLY 57.A N ASN 26.A OD1 no hydrogen 2.756 N/A ILE 58.A N ILE 55.A O no hydrogen 3.278 N/A GLY 59.A N TYR 54.A O no hydrogen 2.784 N/A ARG 60.A N GLY 57.A O no hydrogen 3.184 N/A ARG 60.A NE GLU 33.A OE2 no hydrogen 2.915 N/A ARG 60.A NH1 GLU 63.A OE1 no hydrogen 2.864 N/A ARG 60.A NH2 GLU 33.A OE1 no hydrogen 2.973 N/A SER 61.A N TYR 56.A O no hydrogen 3.142 N/A SER 61.A OG THR 19.A O no hydrogen 3.109 N/A SER 61.A OG THR 19.A OG1 no hydrogen 3.192 N/A SER 61.A OG VAL 22.A O no hydrogen 3.296 N/A SER 61.A OG THR 52.A OG1 no hydrogen 2.946 N/A GLU 63.A N GLY 59.A O no hydrogen 3.103 N/A LEU 64.A N ARG 60.A O no hydrogen 2.896 N/A ILE 65.A N SER 61.A O no hydrogen 2.896 N/A GLY 66.A N GLU 62.A O no hydrogen 2.975 N/A GLU 67.A N GLU 63.A O no hydrogen 3.070 N/A VAL 68.A N LEU 64.A O no hydrogen 3.113 N/A LEU 69.A N ILE 65.A O no hydrogen 2.835 N/A ARG 70.A NE GLU 67.A O no hydrogen 2.932 N/A GLU 71.A N VAL 68.A O no hydrogen 2.918 N/A PHE 72.A N LEU 69.A O no hydrogen 2.953 N/A ASN 73.A ND2 ASP 76.A OD2 no hydrogen 3.283 N/A ARG 74.A NE THR 114.A OG1 no hydrogen 2.887 N/A ARG 74.A NH1 ARG 74.A O no hydrogen 2.992 N/A ARG 74.A NH1 VAL 77.A O no hydrogen 2.947 N/A ARG 74.A NH1 ASP 118.A OD1 no hydrogen 3.153 N/A ARG 74.A NH2 TYR 116.A O no hydrogen 2.809 N/A ARG 74.A NH2 ASP 118.A OD1 no hydrogen 2.892 N/A ASP 76.A N ASN 73.A O no hydrogen 2.946 N/A VAL 77.A N ARG 74.A O no hydrogen 3.210 N/A VAL 78.A N THR 49.A O no hydrogen 2.810 N/A ILE 79.A N ASP 118.A OD1 no hydrogen 2.847 N/A ALA 80.A N LEU 50.A O no hydrogen 2.914 N/A THR 81.A N LEU 119.A O no hydrogen 2.945 N/A THR 81.A OG1 GLU 62.A OE2 no hydrogen 2.680 N/A LYS 82.A N THR 81.A OG1 no hydrogen 2.766 N/A LYS 82.A NZ ASP 51.A OD1 no hydrogen 2.782 N/A LYS 82.A NZ ASP 51.A OD2 no hydrogen 3.387 N/A LYS 82.A NZ THR 52.A O no hydrogen 2.988 N/A LYS 82.A NZ TYR 56.A OH no hydrogen 3.407 N/A ALA 83.A N TYR 121.A O no hydrogen 3.152 N/A ARG 86.A N VAL 93.A O no hydrogen 2.864 N/A ARG 86.A NE ASP 95.A OD2 no hydrogen 3.151 N/A LYS 87.A NZ GLY 89.A O no hydrogen 2.670 N/A GLN 88.A N ASP 91.A O no hydrogen 2.951 N/A ASP 91.A N GLN 88.A O no hydrogen 3.260 N/A VAL 93.A N ARG 86.A O no hydrogen 2.986 N/A ASP 95.A N ALA 84.A O no hydrogen 2.926 N/A ASN 96.A N ASP 126.A OD2 no hydrogen 2.833 N/A ASN 96.A ND2 PHE 124.A O no hydrogen 3.074 N/A SER 97.A N ASP 95.A OD1 no hydrogen 2.813 N/A SER 97.A OG ASP 95.A OD1 no hydrogen 2.685 N/A LEU 101.A N SER 97.A O no hydrogen 3.023 N/A LYS 102.A N PRO 98.A O no hydrogen 3.072 N/A LYS 103.A N ASP 99.A O no hydrogen 3.008 N/A SER 104.A N PHE 100.A O no hydrogen 2.829 N/A SER 104.A OG PHE 100.A O no hydrogen 2.882 N/A VAL 105.A N LEU 101.A O no hydrogen 3.043 N/A ASP 106.A N LYS 102.A O no hydrogen 3.133 N/A GLU 107.A N LYS 103.A O no hydrogen 2.919 N/A SER 108.A N SER 104.A O no hydrogen 2.921 N/A SER 108.A OG GLU 62.A OE2 no hydrogen 2.746 N/A LEU 109.A N VAL 105.A O no hydrogen 3.026 N/A LYS 110.A N ASP 106.A O no hydrogen 3.199 N/A ARG 111.A N GLU 107.A O no hydrogen 3.037 N/A ARG 111.A NE GLU 62.A OE1 no hydrogen 2.785 N/A ARG 111.A NH2 GLU 62.A OE1 no hydrogen 2.917 N/A LEU 112.A N SER 108.A O no hydrogen 2.882 N/A ASN 113.A N LYS 110.A O no hydrogen 3.187 N/A THR 114.A N LEU 109.A O no hydrogen 3.248 N/A ILE 117.A N LYS 145.A O no hydrogen 2.877 N/A ASP 118.A N ILE 79.A O no hydrogen 3.073 N/A LEU 119.A N ILE 79.A O no hydrogen 3.104 N/A PHE 120.A N SER 148.A O no hydrogen 3.065 N/A TYR 121.A N THR 81.A O no hydrogen 2.877 N/A ILE 122.A N GLY 150.A O no hydrogen 2.993 N/A HIS 123.A N ALA 83.A O no hydrogen 2.932 N/A ASP 126.A N ASN 96.A OD1 no hydrogen 2.814 N/A THR 129.A N ASP 126.A OD1 no hydrogen 3.009 N/A THR 129.A OG1 ASP 126.A OD1 no hydrogen 3.522 N/A THR 129.A OG1 ASP 126.A OD2 no hydrogen 2.613 N/A LYS 131.A N GLU 161.A OE1 no hydrogen 2.866 N/A LYS 131.A NZ ASP 126.A O no hydrogen 2.866 N/A LYS 131.A NZ ASP 126.A OD1 no hydrogen 3.074 N/A LYS 131.A NZ THR 129.A O no hydrogen 2.811 N/A GLU 133.A N PRO 130.A O no hydrogen 3.039 N/A ALA 134.A N PRO 130.A O no hydrogen 3.279 N/A VAL 135.A N LYS 131.A O no hydrogen 3.013 N/A ASN 136.A N ASP 132.A O no hydrogen 2.874 N/A ALA 137.A N GLU 133.A O no hydrogen 2.919 N/A LEU 138.A N ALA 134.A O no hydrogen 3.296 N/A ASN 139.A N VAL 135.A O no hydrogen 2.871 N/A GLU 140.A N ASN 136.A O no hydrogen 3.127 N/A GLU 140.A N ALA 137.A O no hydrogen 3.128 N/A LYS 142.A N ASN 139.A O no hydrogen 2.859 N/A ALA 143.A N GLU 140.A O no hydrogen 3.182 N/A GLY 144.A N LYS 141.A O no hydrogen 3.012 N/A ARG 147.A NH1 GLU 75.A OE1 no hydrogen 2.988 N/A ARG 147.A NH2 GLU 75.A OE2 no hydrogen 2.920 N/A SER 148.A OG ASP 169.A OD2 no hydrogen 2.802 N/A ILE 149.A N ASP 169.A OD2 no hydrogen 3.502 N/A GLY 150.A N PHE 120.A O no hydrogen 2.944 N/A VAL 151.A N VAL 170.A O no hydrogen 3.079 N/A SER 152.A N ILE 122.A O no hydrogen 3.115 N/A SER 152.A OG GLN 172.A O no hydrogen 3.384 N/A ASN 153.A N GLN 172.A O no hydrogen 3.337 N/A ASN 153.A ND2 HIS 123.A O no hydrogen 2.852 N/A SER 155.A N GLN 158.A OE1 no hydrogen 2.952 N/A SER 155.A OG GLN 158.A OE1 no hydrogen 3.357 N/A GLN 158.A N SER 155.A OG no hydrogen 3.313 N/A LEU 159.A N SER 155.A O no hydrogen 2.872 N/A LYS 160.A N LEU 156.A O no hydrogen 2.984 N/A GLU 161.A N GLU 157.A O no hydrogen 3.087 N/A ALA 162.A N GLN 158.A O no hydrogen 2.888 N/A ASN 163.A N LEU 159.A O no hydrogen 2.865 N/A ASN 163.A ND2 TYR 189.A OH no hydrogen 3.050 N/A LYS 164.A N GLU 161.A O no hydrogen 2.994 N/A GLY 166.A N ASN 163.A O no hydrogen 2.658 N/A VAL 168.A N ASN 163.A OD1 no hydrogen 3.150 N/A ASP 169.A N ILE 149.A O no hydrogen 2.889 N/A LEU 171.A N SER 196.A O no hydrogen 2.832 N/A GLN 172.A N VAL 151.A O no hydrogen 3.006 N/A GLY 173.A N ILE 198.A O no hydrogen 3.170 N/A TYR 175.A N TYR 200.A O no hydrogen 3.430 N/A TYR 175.A OH GLU 183.A OE2 no hydrogen 2.434 N/A ASN 176.A N ASN 179.A O no hydrogen 3.312 N/A ASN 176.A ND2 PHE 201.A O no hydrogen 3.077 N/A LEU 177.A N TYR 264.A OH no hydrogen 2.970 N/A LEU 178.A N ASN 176.A OD1 no hydrogen 2.829 N/A ASN 179.A N ASN 176.A O no hydrogen 3.014 N/A ARG 180.A NE GLU 183.A OE2 no hydrogen 2.925 N/A ARG 180.A NH1 ASP 303.A O no hydrogen 2.924 N/A ARG 180.A NH1 ASP 303.A OD1 no hydrogen 3.314 N/A ARG 180.A NH1 PHE 306.A O no hydrogen 3.121 N/A ARG 180.A NH2 GLU 183.A OE1 no hydrogen 3.226 N/A ARG 180.A NH2 GLU 183.A OE2 no hydrogen 3.285 N/A ARG 180.A NH2 ASP 303.A OD1 no hydrogen 2.730 N/A GLU 183.A N ARG 180.A O no hydrogen 3.004 N/A LYS 184.A N GLU 181.A O no hydrogen 2.925 N/A THR 185.A OG1 GLU 181.A O no hydrogen 3.279 N/A PHE 187.A N ALA 182.A O no hydrogen 2.854 N/A THR 190.A N PHE 186.A O no hydrogen 2.826 N/A THR 190.A OG1 PHE 186.A O no hydrogen 3.389 N/A THR 190.A OG1 PHE 187.A O no hydrogen 3.468 N/A LYS 191.A N PHE 187.A O no hydrogen 2.926 N/A GLU 192.A N PRO 188.A O no hydrogen 3.063 N/A HIS 193.A N TYR 189.A O no hydrogen 3.010 N/A HIS 193.A ND1 TYR 189.A O no hydrogen 3.176 N/A ASN 194.A N LYS 191.A O no hydrogen 3.237 N/A ILE 195.A N THR 190.A O no hydrogen 2.897 N/A SER 196.A N ASP 169.A O no hydrogen 2.913 N/A SER 196.A OG ASP 271.A OD2 no hydrogen 2.621 N/A PHE 197.A N GLU 269.A O no hydrogen 3.099 N/A ILE 198.A N LEU 171.A O no hydrogen 2.884 N/A TYR 200.A N GLY 173.A O no hydrogen 2.955 N/A TYR 200.A OH ASN 153.A OD1 no hydrogen 2.477 N/A VAL 204.A N PHE 201.A O no hydrogen 3.446 N/A LEU 207.A N VAL 204.A O no hydrogen 2.923 N/A LEU 208.A N LEU 203.A O no hydrogen 2.950 N/A ALA 209.A N GLY 206.A O no hydrogen 2.959 N/A GLY 210.A N LEU 207.A O no hydrogen 3.366 N/A TYR 212.A OH SER 205.A O no hydrogen 2.692 N/A THR 213.A N THR 216.A OG1 no hydrogen 2.859 N/A ASP 215.A N THR 213.A OG1 no hydrogen 3.075 N/A THR 216.A N THR 213.A O no hydrogen 3.099 N/A THR 216.A OG1 THR 213.A O no hydrogen 3.190 N/A ASP 222.A N PRO 219.A O no hydrogen 2.970 N/A ARG 224.A N ASP 222.A OD1 no hydrogen 2.841 N/A ARG 224.A NE ASP 222.A OD1 no hydrogen 3.202 N/A ARG 224.A NE ASP 222.A OD2 no hydrogen 3.448 N/A ARG 224.A NH1 TYR 212.A OH no hydrogen 2.618 N/A ARG 224.A NH2 ASP 222.A OD2 no hydrogen 3.014 N/A ASN 225.A N ASP 222.A O no hydrogen 3.055 N/A ASN 225.A ND2 PHE 218.A O no hydrogen 3.268 N/A ASN 225.A ND2 PRO 219.A O no hydrogen 3.121 N/A GLU 226.A N LEU 223.A O no hydrogen 2.971 N/A GLN 227.A N ARG 224.A O no hydrogen 3.186 N/A PHE 230.A N GLN 227.A O no hydrogen 3.083 N/A LYS 231.A N GLU 228.A O no hydrogen 3.126 N/A LYS 231.A NZ GLU 228.A OE2 no hydrogen 2.676 N/A ARG 234.A NE GLU 228.A O no hydrogen 2.981 N/A PHE 235.A N LYS 231.A O no hydrogen 3.160 N/A LYS 236.A N GLY 232.A O no hydrogen 3.453 N/A LYS 236.A NZ GLU 214.A O no hydrogen 3.139 N/A GLU 237.A N GLU 233.A O no hydrogen 2.794 N/A ASN 238.A N ARG 234.A O no hydrogen 2.775 N/A ASN 238.A ND2 HIS 229.A O no hydrogen 3.091 N/A ILE 239.A N PHE 235.A O no hydrogen 2.894 N/A ARG 240.A N LYS 236.A O no hydrogen 3.054 N/A ARG 240.A NH1 GLU 237.A OE2 no hydrogen 2.952 N/A ARG 240.A NH2 GLU 214.A OE1 no hydrogen 3.249 N/A LYS 241.A N GLU 237.A O no hydrogen 3.135 N/A VAL 242.A N ASN 238.A O no hydrogen 3.054 N/A ASN 243.A N ILE 239.A O no hydrogen 3.009 N/A LYS 244.A N LYS 241.A O no hydrogen 3.047 N/A LEU 245.A N VAL 242.A O no hydrogen 2.951 N/A ALA 246.A N ASN 243.A O no hydrogen 3.021 N/A ILE 248.A N LEU 245.A O no hydrogen 3.126 N/A ALA 249.A N LEU 245.A O no hydrogen 3.110 N/A GLU 250.A N ALA 246.A O no hydrogen 2.914 N/A LYS 251.A N PRO 247.A O no hydrogen 3.037 N/A LYS 251.A NZ ASP 298.A OD1 no hydrogen 2.735 N/A LYS 251.A NZ ASP 298.A OD2 no hydrogen 3.554 N/A HIS 252.A N ILE 248.A O no hydrogen 3.117 N/A HIS 252.A N ALA 249.A O no hydrogen 3.075 N/A HIS 252.A NE2 ASP 298.A OD2 no hydrogen 2.938 N/A ASN 253.A N GLU 250.A O no hydrogen 2.967 N/A VAL 254.A N ALA 249.A O no hydrogen 3.111 N/A ASP 255.A N HIS 258.A ND1 no hydrogen 2.962 N/A HIS 258.A N ASP 255.A O no hydrogen 2.997 N/A HIS 258.A NE2 ASP 285.A O no hydrogen 2.909 N/A ILE 259.A N ASP 255.A O no hydrogen 3.344 N/A VAL 260.A N ILE 256.A O no hydrogen 3.013 N/A LEU 261.A N PRO 257.A O no hydrogen 2.908 N/A ALA 262.A N HIS 258.A O no hydrogen 2.973 N/A TRP 263.A N ILE 259.A O no hydrogen 3.010 N/A TRP 263.A NE1 ILE 299.A O no hydrogen 3.105 N/A TYR 264.A N VAL 260.A O no hydrogen 3.169 N/A TYR 264.A OH PRO 202.A O no hydrogen 2.702 N/A LEU 265.A N LEU 261.A O no hydrogen 3.064 N/A ALA 266.A N ALA 262.A O no hydrogen 2.995 N/A ALA 266.A N TRP 263.A O no hydrogen 3.216 N/A ARG 267.A N TYR 264.A O no hydrogen 3.024 N/A ARG 267.A NE GLU 269.A OE1 no hydrogen 2.970 N/A ARG 267.A NH2 GLU 269.A OE1 no hydrogen 3.342 N/A ARG 267.A NH2 GLU 269.A OE2 no hydrogen 3.072 N/A GLU 269.A N GLU 269.A OE1 no hydrogen 2.836 N/A ILE 270.A N ARG 267.A O no hydrogen 3.251 N/A LEU 273.A N PRO 14.A O no hydrogen 3.053 N/A LYS 278.A N GLN 282.A OE1 no hydrogen 2.827 N/A ARG 279.A N GLN 282.A OE1 no hydrogen 2.890 N/A ARG 279.A NE ASP 281.A OD1 no hydrogen 2.890 N/A ARG 279.A NH2 ASP 281.A OD2 no hydrogen 3.076 N/A GLN 282.A N ARG 279.A O no hydrogen 3.068 N/A LEU 283.A N ARG 279.A O no hydrogen 3.499 N/A ILE 284.A N ALA 280.A O no hydrogen 3.068 N/A ASP 285.A N ASP 281.A O no hydrogen 3.153 N/A ASN 286.A N GLN 282.A O no hydrogen 3.236 N/A ILE 287.A N LEU 283.A O no hydrogen 3.271 N/A ILE 287.A N ILE 284.A O no hydrogen 3.239 N/A THR 289.A N ASN 286.A O no hydrogen 3.297 N/A THR 289.A OG1 ASN 286.A O no hydrogen 3.128 N/A ALA 290.A N ILE 287.A O no hydrogen 3.011 N/A ASP 291.A N LYS 288.A O no hydrogen 3.039 N/A VAL 292.A N THR 289.A O no hydrogen 3.090 N/A SER 295.A N ASP 298.A OD2 no hydrogen 3.009 N/A SER 295.A OG GLU 297.A OE1 no hydrogen 2.851 N/A ASP 298.A N SER 295.A OG no hydrogen 3.094 N/A ILE 299.A N SER 295.A O no hydrogen 3.055 N/A SER 300.A N GLN 296.A O no hydrogen 2.965 N/A PHE 301.A N GLU 297.A O no hydrogen 3.055 N/A ILE 302.A N ASP 298.A O no hydrogen 3.028 N/A ASP 303.A N ILE 299.A O no hydrogen 3.025 N/A LYS 304.A N SER 300.A O no hydrogen 2.949 N/A LEU 305.A N PHE 301.A O no hydrogen 2.838 N/A PHE 306.A N ILE 302.A O no hydrogen 3.052 N/A ALA 307.A N LYS 304.A O no hydrogen 3.117 N/A