Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pyl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ASP 29.A OD2 no hydrogen 2.714 N/A TYR 2.A N PRO 27.A O no hydrogen 2.853 N/A THR 3.A N ASP 65.A OD2 no hydrogen 2.911 N/A VAL 4.A N LYS 30.A O no hydrogen 2.861 N/A ALA 5.A N ILE 66.A O no hydrogen 2.821 N/A VAL 6.A N ARG 32.A O no hydrogen 2.975 N/A VAL 7.A N LEU 68.A O no hydrogen 2.869 N/A GLY 8.A N LEU 34.A O no hydrogen 2.643 N/A ALA 9.A N LEU 34.A O no hydrogen 3.044 N/A ALA 15.A N GLY 11.A O no hydrogen 2.955 N/A GLN 16.A N ALA 12.A O no hydrogen 3.155 N/A GLN 16.A NE2 GLN 16.A O no hydrogen 3.401 N/A MET 17.A N VAL 13.A O no hydrogen 3.094 N/A ILE 18.A N GLY 14.A O no hydrogen 2.873 N/A LYS 19.A N ALA 15.A O no hydrogen 3.069 N/A LYS 19.A NZ GLU 23.A OE2 no hydrogen 3.297 N/A MET 20.A N GLN 16.A O no hydrogen 3.195 N/A LEU 21.A N MET 17.A O no hydrogen 3.023 N/A GLU 22.A N ILE 18.A O no hydrogen 2.837 N/A GLU 23.A N MET 20.A O no hydrogen 3.218 N/A SER 24.A N LEU 21.A O no hydrogen 3.040 N/A SER 24.A OG GLU 338.A OE2 no hydrogen 2.645 N/A THR 25.A N GLU 338.A OE2 no hydrogen 3.063 N/A LEU 26.A N SER 24.A OG no hydrogen 2.976 N/A ASP 29.A N TYR 2.A O no hydrogen 2.831 N/A LYS 30.A N TYR 2.A O no hydrogen 3.146 N/A ARG 32.A N VAL 4.A O no hydrogen 2.930 N/A ARG 32.A NE GLU 54.A OE2 no hydrogen 2.996 N/A ARG 32.A NH1 ALA 60.A O no hydrogen 2.870 N/A ARG 32.A NH2 GLU 54.A OE1 no hydrogen 2.976 N/A ARG 32.A NH2 GLU 54.A OE2 no hydrogen 3.512 N/A ARG 32.A NH2 ALA 60.A O no hydrogen 2.628 N/A TYR 33.A OH LYS 45.A O no hydrogen 2.785 N/A LEU 34.A N VAL 6.A O no hydrogen 2.838 N/A ALA 35.A N GLU 54.A O no hydrogen 2.946 N/A SER 39.A N SER 36.A O no hydrogen 2.948 N/A ALA 40.A N ALA 37.A O no hydrogen 3.335 N/A GLY 41.A N ILE 53.A O no hydrogen 3.017 N/A LYS 42.A N SER 39.A O no hydrogen 3.129 N/A LYS 42.A NZ ARG 38.A O no hydrogen 3.511 N/A LEU 44.A N ILE 51.A O no hydrogen 2.907 N/A LYS 45.A NZ ASP 50.A OD2 no hydrogen 2.595 N/A PHE 46.A N GLN 49.A O no hydrogen 2.783 N/A LYS 47.A N GLU 22.A OE2 no hydrogen 2.644 N/A GLN 49.A N PHE 46.A O no hydrogen 3.122 N/A ILE 51.A N LEU 44.A O no hydrogen 2.736 N/A ILE 53.A N LYS 42.A O no hydrogen 2.824 N/A GLU 54.A N TYR 33.A O no hydrogen 2.815 N/A THR 56.A N ALA 35.A O no hydrogen 2.924 N/A THR 56.A OG1 ALA 35.A O no hydrogen 3.272 N/A THR 57.A OG1 THR 59.A OG1 no hydrogen 3.157 N/A GLU 58.A N GLU 58.A OE2 no hydrogen 2.738 N/A THR 59.A N THR 57.A OG1 no hydrogen 3.141 N/A THR 59.A OG1 THR 57.A OG1 no hydrogen 3.157 N/A ALA 60.A N THR 57.A O no hydrogen 3.413 N/A VAL 64.A N PHE 61.A O no hydrogen 3.054 N/A ASP 65.A N THR 3.A O no hydrogen 2.858 N/A ILE 66.A N THR 3.A O no hydrogen 3.251 N/A ALA 67.A N VAL 89.A O no hydrogen 2.982 N/A LEU 68.A N ALA 5.A O no hydrogen 2.740 N/A PHE 69.A N VAL 91.A O no hydrogen 3.142 N/A SER 70.A N VAL 7.A O no hydrogen 2.707 N/A SER 70.A OG VAL 7.A O no hydrogen 3.339 N/A SER 70.A OG GLY 8.A O no hydrogen 2.992 N/A SER 76.A N GLY 72.A O no hydrogen 3.289 N/A SER 76.A OG GLY 72.A O no hydrogen 3.366 N/A SER 76.A OG ASP 92.A OD1 no hydrogen 2.450 N/A ALA 77.A N SER 73.A O no hydrogen 2.866 N/A LYS 78.A N SER 74.A O no hydrogen 3.026 N/A TYR 79.A N THR 75.A O no hydrogen 2.834 N/A ALA 80.A N SER 76.A O no hydrogen 3.008 N/A TYR 82.A OH LYS 357.A O no hydrogen 2.407 N/A ALA 83.A N TYR 79.A O no hydrogen 2.963 N/A VAL 84.A N ALA 80.A O no hydrogen 3.019 N/A LYS 85.A N PRO 81.A O no hydrogen 3.141 N/A ALA 86.A N TYR 82.A O no hydrogen 3.013 N/A GLY 87.A N VAL 84.A O no hydrogen 2.955 N/A VAL 88.A N ALA 83.A O no hydrogen 3.019 N/A VAL 89.A N ASP 65.A O no hydrogen 2.998 N/A VAL 90.A N GLY 120.A O no hydrogen 2.638 N/A VAL 91.A N ALA 67.A O no hydrogen 2.928 N/A ASP 92.A N ILE 122.A O no hydrogen 2.819 N/A ASN 93.A ND2 ALA 71.A O no hydrogen 2.989 N/A THR 94.A OG1 ASP 92.A OD2 no hydrogen 2.785 N/A TYR 96.A N THR 94.A OG1 no hydrogen 3.296 N/A ARG 98.A N SER 95.A O no hydrogen 3.176 N/A ARG 98.A NE CYS 124.A O no hydrogen 2.756 N/A ARG 98.A NH1 GLU 226.A OE2 no hydrogen 3.070 N/A ARG 98.A NH2 ASN 93.A O no hydrogen 3.119 N/A ARG 98.A NH2 CYS 124.A O no hydrogen 3.546 N/A ASN 100.A N PHE 97.A O no hydrogen 3.042 N/A ASP 102.A N ASN 100.A OD1 no hydrogen 2.835 N/A VAL 103.A N ASN 100.A O no hydrogen 2.907 N/A VAL 106.A N ALA 123.A O no hydrogen 3.154 N/A VAL 107.A N ASN 111.A OD1 no hydrogen 2.841 N/A GLU 109.A N GLU 109.A OE1 no hydrogen 2.915 N/A VAL 110.A N VAL 107.A O no hydrogen 2.694 N/A ASN 111.A N VAL 107.A O no hydrogen 2.994 N/A ASN 111.A ND2 LEU 105.A O no hydrogen 2.746 N/A ALA 114.A N ASN 111.A O no hydrogen 3.098 N/A LEU 115.A N ALA 112.A O no hydrogen 3.154 N/A ASP 116.A N HIS 113.A O no hydrogen 3.246 N/A HIS 118.A N LEU 115.A O no hydrogen 3.031 N/A HIS 118.A ND1 LEU 115.A O no hydrogen 3.134 N/A ASN 119.A ND2 ASP 102.A O no hydrogen 2.985 N/A ILE 122.A N VAL 90.A O no hydrogen 2.783 N/A ALA 123.A N PRO 104.A O no hydrogen 2.892 N/A CYS 124.A N ASP 92.A O no hydrogen 2.893 N/A CYS 124.A SG PRO 125.A O no hydrogen 3.550 N/A CYS 124.A SG ALA 329.A O no hydrogen 3.822 N/A CYS 124.A SG ASN 332.A OD1 no hydrogen 3.460 N/A CYS 124.A SG SER 333.A OG no hydrogen 3.712 N/A ASN 126.A N GLU 226.A OE1 no hydrogen 2.805 N/A CYS 127.A SG HIS 251.A NE2 no hydrogen 3.486 N/A SER 128.A OG ASN 126.A OD1 no hydrogen 3.550 N/A SER 128.A OG GLU 219.A OE2 no hydrogen 2.854 N/A THR 129.A OG1 GLU 226.A OE1 no hydrogen 2.833 N/A ILE 130.A N ASN 126.A O no hydrogen 3.071 N/A GLN 131.A NE2 HIS 251.A O no hydrogen 3.290 N/A MET 133.A N THR 129.A O no hydrogen 3.086 N/A VAL 134.A N ILE 130.A O no hydrogen 3.121 N/A ALA 135.A N GLN 131.A O no hydrogen 3.226 N/A LEU 136.A N MET 132.A O no hydrogen 3.009 N/A GLU 137.A N MET 133.A O no hydrogen 2.983 N/A ARG 140.A N LEU 136.A O no hydrogen 2.865 N/A ARG 140.A NE GLU 137.A OE1 no hydrogen 2.977 N/A ARG 140.A NH1 GLU 137.A OE1 no hydrogen 2.978 N/A ARG 140.A NH1 GLU 137.A OE2 no hydrogen 3.172 N/A GLN 141.A N GLU 137.A O no hydrogen 2.995 N/A LYS 142.A N VAL 139.A O no hydrogen 3.272 N/A TRP 143.A N VAL 139.A O no hydrogen 2.898 N/A GLY 144.A N ARG 140.A O no hydrogen 2.679 N/A ASP 146.A N GLU 258.A O no hydrogen 2.818 N/A ILE 148.A N ALA 237.A O no hydrogen 2.654 N/A ILE 149.A N TYR 256.A O no hydrogen 2.865 N/A VAL 150.A N SER 239.A O no hydrogen 3.121 N/A SER 151.A N SER 254.A O no hydrogen 2.960 N/A THR 152.A N THR 241.A O no hydrogen 2.965 N/A THR 152.A OG1 GLN 154.A OE1 no hydrogen 2.780 N/A TYR 153.A N SER 252.A O no hydrogen 2.713 N/A GLN 154.A N VAL 243.A O no hydrogen 2.825 N/A GLN 154.A NE2 GLU 219.A OE2 no hydrogen 2.812 N/A GLN 154.A NE2 HIS 251.A NE2 no hydrogen 3.655 N/A ALA 155.A N HIS 251.A ND1 no hydrogen 2.863 N/A VAL 156.A N VAL 247.A O no hydrogen 2.747 N/A SER 157.A N LEU 248.A O no hydrogen 3.039 N/A SER 157.A OG LEU 248.A O no hydrogen 2.817 N/A GLY 158.A N ALA 155.A O no hydrogen 3.299 N/A ALA 159.A N VAL 156.A O no hydrogen 2.912 N/A GLY 160.A N SER 157.A O no hydrogen 3.108 N/A ILE 164.A N GLY 160.A O no hydrogen 3.351 N/A LEU 165.A N MET 161.A O no hydrogen 2.982 N/A GLU 166.A N GLY 162.A O no hydrogen 2.940 N/A THR 167.A N ALA 163.A O no hydrogen 3.009 N/A THR 167.A OG1 ALA 163.A O no hydrogen 2.852 N/A GLN 168.A N ILE 164.A O no hydrogen 3.064 N/A ARG 169.A N LEU 165.A O no hydrogen 2.924 N/A ARG 169.A NH1 GLU 173.A OE2 no hydrogen 3.495 N/A ARG 169.A NH1 HIS 185.A O no hydrogen 3.139 N/A ARG 169.A NH2 HIS 185.A O no hydrogen 3.104 N/A GLU 170.A N GLU 166.A O no hydrogen 2.985 N/A LEU 171.A N THR 167.A O no hydrogen 3.094 N/A ARG 172.A N GLN 168.A O no hydrogen 2.956 N/A GLU 173.A N ARG 169.A O no hydrogen 2.903 N/A VAL 174.A N GLU 170.A O no hydrogen 3.090 N/A LEU 175.A N LEU 171.A O no hydrogen 2.940 N/A ASN 176.A N ARG 172.A O no hydrogen 2.725 N/A ASP 177.A N GLU 173.A O no hydrogen 3.086 N/A GLY 178.A N VAL 174.A O no hydrogen 3.021 N/A VAL 179.A N GLU 173.A O no hydrogen 3.204 N/A LYS 180.A NZ ASP 183.A OD2 no hydrogen 3.404 N/A ASP 183.A N LYS 180.A O no hydrogen 2.758 N/A LEU 184.A N PRO 181.A O no hydrogen 3.232 N/A GLU 187.A N GLU 166.A OE2 no hydrogen 2.839 N/A ILE 188.A N GLU 166.A OE1 no hydrogen 3.358 N/A ILE 188.A N GLU 166.A OE2 no hydrogen 2.793 N/A LEU 189.A N GLU 166.A OE1 no hydrogen 3.021 N/A ASP 194.A N SER 191.A O no hydrogen 3.103 N/A LYS 195.A N ASP 194.A OD2 no hydrogen 2.809 N/A LYS 196.A NZ TYR 198.A OH no hydrogen 3.292 N/A TYR 198.A N LEU 189.A O no hydrogen 2.819 N/A ILE 200.A N GLU 170.A OE2 no hydrogen 3.013 N/A ALA 201.A N GLU 170.A OE2 no hydrogen 3.394 N/A ASN 203.A N ILE 200.A O no hydrogen 2.998 N/A ASN 203.A ND2 PRO 199.A O no hydrogen 3.015 N/A LEU 205.A N ARG 244.A O no hydrogen 2.904 N/A GLN 207.A NE2 ASP 194.A OD1 no hydrogen 2.998 N/A GLN 207.A NE2 ASP 209.A O no hydrogen 3.123 N/A VAL 210.A N ASP 209.A OD1 no hydrogen 2.793 N/A THR 212.A N TYR 216.A O no hydrogen 2.888 N/A THR 212.A OG1 TYR 216.A O no hydrogen 2.938 N/A ASN 214.A N THR 212.A OG1 no hydrogen 3.351 N/A ASP 215.A N THR 212.A O no hydrogen 3.037 N/A TYR 216.A N ASN 214.A OD1 no hydrogen 2.848 N/A THR 217.A N GLU 220.A OE1 no hydrogen 3.002 N/A THR 217.A OG1 ILE 208.A O no hydrogen 3.171 N/A TYR 218.A N VAL 210.A O no hydrogen 2.814 N/A GLU 220.A N THR 217.A OG1 no hydrogen 3.355 N/A MET 221.A N THR 217.A O no hydrogen 2.997 N/A LYS 222.A N TYR 218.A O no hydrogen 2.830 N/A LYS 222.A NZ ASP 209.A OD2 no hydrogen 3.189 N/A MET 223.A N GLU 219.A O no hydrogen 3.183 N/A THR 224.A N GLU 220.A O no hydrogen 3.206 N/A THR 224.A OG1 GLU 220.A O no hydrogen 3.483 N/A THR 224.A OG1 VAL 238.A O no hydrogen 2.913 N/A LYS 225.A N MET 221.A O no hydrogen 2.825 N/A GLU 226.A N LYS 222.A O no hydrogen 2.757 N/A THR 227.A N MET 223.A O no hydrogen 3.400 N/A THR 227.A OG1 MET 223.A O no hydrogen 2.632 N/A LYS 228.A N THR 224.A O no hydrogen 3.407 N/A LYS 228.A NZ ASP 234.A O no hydrogen 3.313 N/A LYS 228.A NZ ILE 236.A O no hydrogen 2.712 N/A LYS 229.A N LYS 225.A O no hydrogen 3.216 N/A LYS 229.A NZ ARG 98.A O no hydrogen 2.754 N/A LYS 229.A NZ ASN 100.A O no hydrogen 2.920 N/A LYS 229.A NZ VAL 103.A O no hydrogen 2.767 N/A ILE 230.A N GLU 226.A O no hydrogen 2.838 N/A MET 231.A N THR 227.A O no hydrogen 2.951 N/A GLU 232.A N LYS 229.A O no hydrogen 3.260 N/A ASP 233.A N LYS 228.A O no hydrogen 2.959 N/A SER 235.A N ASP 233.A OD1 no hydrogen 2.970 N/A SER 235.A OG ASP 233.A OD1 no hydrogen 2.662 N/A ILE 236.A N ASP 233.A O no hydrogen 3.322 N/A ALA 237.A N ASP 146.A O no hydrogen 3.152 N/A SER 239.A N ILE 148.A O no hydrogen 2.981 N/A THR 241.A N VAL 150.A O no hydrogen 2.978 N/A CYS 242.A N GLU 220.A OE2 no hydrogen 3.010 N/A CYS 242.A SG GLN 154.A OE1 no hydrogen 3.699 N/A VAL 243.A N THR 152.A OG1 no hydrogen 3.248 N/A ARG 244.A N LEU 205.A O no hydrogen 2.777 N/A ARG 244.A NH1 ALA 155.A O no hydrogen 2.833 N/A ILE 245.A N GLN 154.A O no hydrogen 3.156 N/A VAL 247.A N ILE 245.A O no hydrogen 2.646 N/A ALA 250.A N ASN 324.A OD1 no hydrogen 2.752 N/A HIS 251.A N SER 322.A O no hydrogen 3.014 N/A SER 252.A N TYR 153.A O no hydrogen 3.012 N/A GLU 253.A N VAL 320.A O no hydrogen 2.571 N/A SER 254.A N SER 151.A O no hydrogen 2.854 N/A VAL 255.A N MET 318.A O no hydrogen 3.010 N/A TYR 256.A N ILE 149.A O no hydrogen 2.768 N/A TYR 256.A OH GLU 258.A OE2 no hydrogen 2.643 N/A ILE 257.A N ILE 316.A O no hydrogen 2.838 N/A GLU 258.A N ARG 147.A O no hydrogen 3.330 N/A THR 259.A N LYS 314.A O no hydrogen 3.019 N/A THR 259.A OG1 GLU 261.A O no hydrogen 2.638 N/A THR 259.A OG1 LYS 314.A O no hydrogen 3.281 N/A LYS 260.A N TRP 143.A O no hydrogen 2.897 N/A GLU 261.A N TRP 143.A O no hydrogen 3.095 N/A VAL 268.A N PRO 264.A O no hydrogen 2.898 N/A LYS 269.A N ILE 265.A O no hydrogen 2.872 N/A ALA 270.A N GLU 266.A O no hydrogen 3.105 N/A ALA 271.A N GLU 267.A O no hydrogen 2.911 N/A ILE 272.A N VAL 268.A O no hydrogen 2.982 N/A ALA 273.A N LYS 269.A O no hydrogen 2.999 N/A ALA 274.A N ALA 270.A O no hydrogen 3.155 N/A PHE 275.A N ILE 272.A O no hydrogen 3.123 N/A ALA 278.A N PHE 275.A O no hydrogen 3.140 N/A VAL 279.A N THR 301.A O no hydrogen 2.810 N/A GLU 281.A N VAL 303.A O no hydrogen 2.871 N/A ASP 283.A N ILE 288.A O no hydrogen 3.153 N/A HIS 286.A N ASP 283.A O no hydrogen 3.008 N/A GLN 287.A N VAL 284.A O no hydrogen 3.171 N/A ILE 288.A N ASP 283.A O no hydrogen 2.928 N/A ASN 294.A N GLN 291.A O no hydrogen 2.986 N/A ALA 295.A N GLN 291.A O no hydrogen 3.154 N/A ALA 295.A N ALA 292.A O no hydrogen 3.052 N/A VAL 296.A N ALA 292.A O no hydrogen 3.282 N/A GLY 297.A N ASP 323.A OD2 no hydrogen 2.841 N/A SER 298.A N ALA 295.A O no hydrogen 3.024 N/A ARG 299.A NH1 GLU 23.A OE1 no hydrogen 3.303 N/A ARG 299.A NH2 GLU 23.A OE1 no hydrogen 3.161 N/A ASP 300.A N SER 298.A OG no hydrogen 3.018 N/A THR 301.A N GLY 277.A O no hydrogen 2.966 N/A PHE 302.A N VAL 321.A O no hydrogen 2.890 N/A VAL 303.A N VAL 279.A O no hydrogen 2.942 N/A GLY 304.A N TRP 319.A O no hydrogen 2.959 N/A ILE 306.A N ASP 282.A OD2 no hydrogen 2.811 N/A ARG 307.A N HIS 317.A O no hydrogen 3.044 N/A ARG 307.A NH1 ARG 305.A O no hydrogen 2.819 N/A ASP 309.A N GLY 315.A O no hydrogen 2.833 N/A ASP 311.A N ASP 309.A OD2 no hydrogen 2.848 N/A ALA 312.A N ASP 309.A OD2 no hydrogen 2.842 N/A LYS 314.A NZ LYS 260.A O no hydrogen 2.878 N/A GLY 315.A N ALA 312.A O no hydrogen 3.083 N/A ILE 316.A N ILE 257.A O no hydrogen 2.739 N/A HIS 317.A N ARG 307.A O no hydrogen 2.893 N/A MET 318.A N VAL 255.A O no hydrogen 2.935 N/A TRP 319.A N GLY 304.A O no hydrogen 2.711 N/A TRP 319.A NE1 PRO 290.A O no hydrogen 2.969 N/A VAL 320.A N GLU 253.A O no hydrogen 2.850 N/A VAL 321.A N PHE 302.A O no hydrogen 3.007 N/A SER 322.A N HIS 251.A O no hydrogen 3.143 N/A SER 322.A OG ASP 300.A O no hydrogen 3.057 N/A ASN 324.A ND2 SER 157.A OG no hydrogen 2.749 N/A LEU 325.A N ASP 323.A OD1 no hydrogen 2.962 N/A LEU 326.A N ASP 323.A O no hydrogen 3.196 N/A LYS 327.A NZ GLU 109.A OE1 no hydrogen 2.842 N/A LYS 327.A NZ GLU 109.A OE2 no hydrogen 3.466 N/A LYS 327.A NZ GLN 335.A OE1 no hydrogen 2.776 N/A GLY 328.A N ASP 323.A O no hydrogen 3.422 N/A ALA 329.A N LEU 326.A O no hydrogen 2.940 N/A ALA 330.A N LEU 325.A O no hydrogen 3.185 N/A TRP 331.A N LEU 326.A O no hydrogen 2.774 N/A SER 333.A N ALA 329.A O no hydrogen 3.046 N/A SER 333.A OG ALA 329.A O no hydrogen 3.478 N/A VAL 334.A N ALA 330.A O no hydrogen 2.962 N/A GLN 335.A N TRP 331.A O no hydrogen 2.687 N/A GLN 335.A NE2 GLU 109.A OE2 no hydrogen 3.064 N/A ILE 336.A N ASN 332.A O no hydrogen 2.889 N/A ALA 337.A N SER 333.A O no hydrogen 3.139 N/A GLU 338.A N VAL 334.A O no hydrogen 2.872 N/A THR 339.A N GLN 335.A O no hydrogen 2.843 N/A THR 339.A OG1 GLN 335.A O no hydrogen 2.581 N/A LEU 340.A N ILE 336.A O no hydrogen 2.816 N/A HIS 341.A N ALA 337.A O no hydrogen 3.203 N/A GLU 342.A N GLU 338.A O no hydrogen 2.774 N/A ARG 343.A N THR 339.A O no hydrogen 3.013 N/A ARG 343.A NE ASP 116.A OD1 no hydrogen 2.973 N/A ARG 343.A NH2 ASP 116.A OD1 no hydrogen 3.299 N/A ARG 343.A NH2 ASP 116.A OD2 no hydrogen 2.967 N/A GLY 344.A N HIS 341.A O no hydrogen 2.997 N/A LEU 345.A N LEU 340.A O no hydrogen 2.810 N/A ARG 347.A NH2 ASP 116.A O no hydrogen 3.562 N/A ARG 347.A NH2 HIS 118.A O no hydrogen 3.267 N/A LYS 353.A NZ ASN 119.A OD1 no hydrogen 2.634 N/A LYS 357.A NZ TYR 96.A OH no hydrogen 3.170 N/A