Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4py8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 14.A N ASN 324.A OD1 no hydrogen 2.778 N/A ASN 14.A ND2 HIS 12.A NE2 no hydrogen 3.452 N/A ASN 14.A ND2 THR 31.A O no hydrogen 3.073 N/A SER 16.A N ASN 14.A OD1 no hydrogen 2.998 N/A SER 16.A OG VAL 30.A O no hydrogen 3.354 N/A VAL 20.A N VAL 28.A O no hydrogen 2.723 N/A THR 22.A N GLU 25.A O no hydrogen 2.752 N/A THR 22.A OG1 GLU 25.A O no hydrogen 3.137 N/A GLU 25.A N THR 22.A OG1 no hydrogen 3.000 N/A ASN 27.A N ASP 21.A OD1 no hydrogen 3.031 N/A VAL 28.A N VAL 20.A O no hydrogen 2.781 N/A VAL 30.A N ASP 18.A O no hydrogen 2.943 N/A THR 31.A N LEU 322.A O no hydrogen 2.813 N/A THR 31.A OG1 LEU 322.A O no hydrogen 3.523 N/A SER 33.A OG ASP 18.A OD1 no hydrogen 3.241 N/A VAL 34.A N MET 318.A O no hydrogen 2.811 N/A LEU 36.A N LEU 316.A O no hydrogen 2.861 N/A LEU 37.A N ASN 35.A OD1 no hydrogen 2.851 N/A GLU 38.A N PHE 296.A O no hydrogen 2.605 N/A SER 40.A N GLU 38.A OE2 no hydrogen 3.060 N/A SER 40.A OG GLU 38.A OE2 no hydrogen 3.138 N/A SER 40.A OG ASP 39.A OD1 no hydrogen 3.398 N/A ASN 42.A N ALA 289.A O no hydrogen 3.209 N/A GLY 43.A N HIS 41.A ND1 no hydrogen 3.205 N/A LYS 44.A N ASN 42.A OD1 no hydrogen 3.135 N/A LEU 45.A N PRO 275.A O no hydrogen 2.808 N/A CYS 46.A N GLN 284.A OE1 no hydrogen 2.780 N/A LYS 47.A N CYS 279.A O no hydrogen 2.725 N/A LYS 47.A NZ ASP 278.A OD1 no hydrogen 2.972 N/A LEU 48.A N ILE 51.A O no hydrogen 3.276 N/A ILE 51.A N LEU 48.A O no hydrogen 2.887 N/A LEU 54.A N TYR 82.A O no hydrogen 2.796 N/A LEU 56.A N VAL 84.A O no hydrogen 3.090 N/A LYS 58.A NZ GLU 70.A OE1 no hydrogen 3.130 N/A CYS 59.A N LEU 56.A O no hydrogen 3.005 N/A ASN 60.A N ASN 91.A O no hydrogen 3.114 N/A ASN 60.A ND2 SER 89.A O no hydrogen 3.507 N/A ILE 61.A N GLU 85.A OE1 no hydrogen 2.950 N/A GLY 63.A N ASN 60.A OD1 no hydrogen 3.116 N/A TRP 64.A N ASN 60.A O no hydrogen 2.805 N/A LEU 65.A N ILE 61.A O no hydrogen 2.907 N/A LEU 66.A N ALA 62.A O no hydrogen 2.986 N/A GLY 67.A N GLY 63.A O no hydrogen 2.974 N/A ASN 68.A N GLY 63.A O no hydrogen 2.885 N/A ASN 68.A ND2 GLY 92.A O no hydrogen 2.691 N/A GLU 70.A N ASN 68.A OD1 no hydrogen 3.004 N/A CYS 71.A N ASN 68.A O no hydrogen 2.784 N/A CYS 71.A SG GLY 63.A O no hydrogen 3.421 N/A LEU 74.A N CYS 71.A O no hydrogen 2.871 N/A LEU 75.A N ASP 72.A O no hydrogen 3.118 N/A ALA 77.A N LEU 74.A O no hydrogen 3.076 N/A TRP 80.A N SER 113.A O no hydrogen 3.371 N/A SER 81.A OG ILE 51.A O no hydrogen 2.792 N/A TYR 82.A OH CYS 46.A O no hydrogen 2.936 N/A ILE 83.A N GLY 268.A O no hydrogen 2.719 N/A VAL 84.A N LEU 54.A O no hydrogen 2.826 N/A GLU 85.A N ILE 270.A O no hydrogen 2.747 N/A THR 86.A N SER 89.A OG no hydrogen 3.021 N/A THR 86.A OG1 GLY 57.A O no hydrogen 3.136 N/A SER 87.A N ASP 273.A OD1 no hydrogen 2.862 N/A SER 87.A OG ASP 273.A OD1 no hydrogen 3.434 N/A SER 87.A OG ASP 273.A OD2 no hydrogen 2.664 N/A ASN 88.A N THR 86.A OG1 no hydrogen 2.898 N/A SER 89.A N THR 86.A O no hydrogen 3.213 N/A SER 89.A OG GLY 57.A O no hydrogen 2.840 N/A SER 89.A OG CYS 59.A O no hydrogen 2.894 N/A SER 89.A OG THR 86.A O no hydrogen 3.134 N/A ASN 91.A N LYS 58.A O no hydrogen 3.043 N/A CYS 94.A N TYR 149.A OH no hydrogen 2.761 N/A TYR 95.A N TYR 149.A OH no hydrogen 3.214 N/A TYR 95.A OH HIS 184.A NE2 no hydrogen 3.063 N/A ASP 98.A N ASN 232.A OD1 no hydrogen 2.926 N/A ILE 100.A N TYR 233.A O no hydrogen 2.826 N/A GLU 103.A N GLU 103.A OE1 no hydrogen 2.751 N/A LEU 105.A N ASP 101.A O no hydrogen 3.016 N/A ARG 106.A N TYR 102.A O no hydrogen 2.889 N/A ARG 106.A NH1 GLU 85.A OE1 no hydrogen 2.682 N/A ARG 106.A NH1 GLU 85.A OE2 no hydrogen 3.168 N/A ARG 106.A NH1 TYR 102.A OH no hydrogen 3.005 N/A ARG 106.A NH2 GLU 85.A OE2 no hydrogen 2.827 N/A GLU 107.A N GLU 103.A O no hydrogen 3.182 N/A GLN 108.A N GLU 104.A O no hydrogen 2.943 N/A LEU 109.A N LEU 105.A O no hydrogen 2.898 N/A LEU 109.A N ARG 106.A O no hydrogen 2.965 N/A SER 110.A N GLU 107.A O no hydrogen 3.144 N/A SER 110.A OG GLU 107.A O no hydrogen 2.925 N/A VAL 112.A N LEU 109.A O no hydrogen 3.320 N/A SER 113.A N ASN 262.A O no hydrogen 2.918 N/A PHE 115.A N SER 78.A O no hydrogen 2.793 N/A GLU 116.A N ALA 260.A O no hydrogen 2.881 N/A LYS 117.A NZ LEU 75.A O no hydrogen 3.535 N/A LYS 117.A NZ ASN 151.A OD1 no hydrogen 2.986 N/A PHE 118.A N ALA 258.A O no hydrogen 2.903 N/A PHE 121.A N TRP 256.A O no hydrogen 3.446 N/A SER 126.A N PRO 122.A O no hydrogen 3.014 N/A SER 126.A OG PRO 122.A O no hydrogen 2.453 N/A GLU 131.A N THR 156.A O no hydrogen 3.019 N/A THR 133.A N GLU 131.A OE2 no hydrogen 2.785 N/A THR 137.A N SER 147.A O no hydrogen 2.807 N/A SER 141.A OG ALA 138.A O no hydrogen 2.864 N/A SER 141.A OG ALA 145.A O no hydrogen 3.364 N/A TYR 142.A N ALA 145.A O no hydrogen 2.982 N/A ALA 145.A N TYR 142.A O no hydrogen 3.178 N/A SER 147.A N THR 137.A O no hydrogen 3.032 N/A SER 147.A OG PHE 148.A O no hydrogen 3.464 N/A PHE 148.A N SER 147.A OG no hydrogen 2.656 N/A TYR 149.A OH TYR 233.A OH no hydrogen 2.613 N/A ARG 150.A N GLY 67.A O no hydrogen 2.878 N/A ARG 150.A NE ASP 72.A OD1 no hydrogen 2.793 N/A ARG 150.A NE ASP 72.A OD2 no hydrogen 3.272 N/A ARG 150.A NH2 ASP 72.A OD2 no hydrogen 2.895 N/A ASN 151.A N LEU 66.A O no hydrogen 3.294 N/A ASN 151.A ND2 LEU 65.A O no hydrogen 2.716 N/A LEU 153.A N ALA 254.A O no hydrogen 2.679 N/A TRP 154.A NE1 TYR 196.A OH no hydrogen 2.884 N/A THR 156.A N GLU 131.A O no hydrogen 3.128 N/A LYS 157.A N LEU 195.A O no hydrogen 2.895 N/A LYS 157.A NZ GLN 193.A O no hydrogen 3.375 N/A LEU 165.A N ALA 248.A O no hydrogen 2.952 N/A LYS 167.A N PHE 246.A O no hydrogen 2.945 N/A SER 168.A OG THR 245.A OG1 no hydrogen 3.023 N/A TYR 169.A N ILE 244.A O no hydrogen 2.961 N/A ASN 171.A N ASP 242.A O no hydrogen 2.853 N/A ASN 171.A ND2 LYS 175.A O no hydrogen 2.739 N/A ASN 171.A ND2 LEU 238.A O no hydrogen 3.012 N/A LYS 173.A N ASN 171.A OD1 no hydrogen 3.108 N/A LYS 175.A NZ GLU 116.A OE1 no hydrogen 3.046 N/A LYS 175.A NZ GLU 116.A OE2 no hydrogen 3.202 N/A LYS 175.A NZ ASN 262.A OD1 no hydrogen 2.992 N/A VAL 177.A N LEU 238.A O no hydrogen 2.853 N/A LEU 178.A N PHE 259.A O no hydrogen 2.771 N/A VAL 179.A N THR 236.A O no hydrogen 2.993 N/A TRP 181.A N TYR 234.A O no hydrogen 3.136 N/A GLY 182.A N ILE 253.A O no hydrogen 2.807 N/A VAL 183.A N ASN 232.A O no hydrogen 2.951 N/A HIS 184.A N ASN 251.A O no hydrogen 2.785 N/A HIS 184.A ND1 TYR 196.A OH no hydrogen 2.849 N/A HIS 184.A NE2 TYR 95.A OH no hydrogen 3.063 N/A HIS 185.A N ARG 230.A O no hydrogen 2.752 N/A GLN 192.A NE2 ASN 198.A O no hydrogen 3.525 N/A GLN 192.A NE2 ASN 251.A OD1 no hydrogen 2.730 N/A SER 194.A N THR 190.A O no hydrogen 2.573 N/A LEU 195.A N GLN 192.A O no hydrogen 3.136 N/A TYR 196.A N GLN 192.A O no hydrogen 2.822 N/A TYR 196.A OH HIS 184.A ND1 no hydrogen 2.849 N/A GLN 197.A N GLN 193.A O no hydrogen 2.813 N/A ASN 198.A N TYR 196.A O no hydrogen 2.627 N/A ASN 198.A ND2 TYR 162.A O no hydrogen 2.990 N/A ASN 198.A ND2 TYR 196.A O no hydrogen 3.377 N/A ASN 198.A ND2 THR 249.A O no hydrogen 3.009 N/A TYR 202.A N THR 249.A OG1 no hydrogen 2.984 N/A TYR 202.A OH GLU 247.A OE2 no hydrogen 2.633 N/A VAL 203.A N PHE 214.A O no hydrogen 2.773 N/A SER 204.A N GLU 247.A O no hydrogen 2.666 N/A VAL 205.A N ARG 212.A O no hydrogen 3.000 N/A GLY 206.A N THR 245.A O no hydrogen 3.019 N/A SER 207.A N TYR 210.A O no hydrogen 2.881 N/A LYS 209.A N SER 207.A OG no hydrogen 3.167 N/A TYR 210.A N SER 207.A OG no hydrogen 3.245 N/A ARG 212.A N VAL 205.A O no hydrogen 2.904 N/A PHE 214.A N VAL 203.A O no hydrogen 2.637 N/A GLU 217.A N HIS 185.A ND1 no hydrogen 3.376 N/A ALA 219.A N PRO 186.A O no hydrogen 3.237 N/A ARG 221.A N ALA 228.A O no hydrogen 2.998 N/A VAL 224.A N GLN 227.A O no hydrogen 2.816 N/A ARG 225.A NH1 CYS 94.A O no hydrogen 3.333 N/A GLN 227.A NE2 ARG 225.A O no hydrogen 3.533 N/A ARG 230.A N HIS 185.A O no hydrogen 2.835 N/A ARG 230.A NE GLY 229.A O no hydrogen 3.136 N/A ARG 230.A NH2 PRO 222.A O no hydrogen 2.505 N/A ARG 230.A NH2 GLN 227.A O no hydrogen 3.448 N/A MET 231.A N PRO 96.A O no hydrogen 2.767 N/A ASN 232.A N VAL 183.A O no hydrogen 2.852 N/A TYR 233.A N ASP 98.A O no hydrogen 2.822 N/A TYR 233.A OH TYR 95.A O no hydrogen 2.739 N/A TYR 234.A N TRP 181.A O no hydrogen 2.942 N/A TRP 235.A NE1 ASP 101.A O no hydrogen 3.213 N/A THR 236.A N VAL 179.A O no hydrogen 3.046 N/A LEU 238.A N VAL 177.A O no hydrogen 2.643 N/A GLY 241.A N ASN 171.A O no hydrogen 3.050 N/A ASP 242.A N GLU 239.A O no hydrogen 2.811 N/A ILE 244.A N TYR 169.A O no hydrogen 2.865 N/A THR 245.A N GLY 206.A O no hydrogen 2.799 N/A THR 245.A OG1 SER 168.A OG no hydrogen 3.023 N/A PHE 246.A N LYS 167.A O no hydrogen 2.847 N/A GLU 247.A N SER 204.A O no hydrogen 2.815 N/A ALA 248.A N LEU 165.A O no hydrogen 3.249 N/A THR 249.A N TYR 202.A O no hydrogen 2.987 N/A THR 249.A OG1 TYR 202.A O no hydrogen 3.403 N/A ASN 251.A ND2 HIS 184.A O no hydrogen 2.722 N/A ASN 251.A ND2 GLN 192.A OE1 no hydrogen 2.831 N/A ILE 253.A N GLY 182.A O no hydrogen 2.681 N/A ALA 254.A N LEU 153.A O no hydrogen 2.820 N/A TRP 256.A N ASN 151.A O no hydrogen 3.024 N/A TRP 256.A NE1 GLU 119.A OE1 no hydrogen 2.826 N/A TYR 257.A N ASN 151.A O no hydrogen 3.046 N/A ALA 258.A N PHE 118.A O no hydrogen 2.938 N/A PHE 259.A N LEU 178.A O no hydrogen 3.093 N/A ALA 260.A N GLU 116.A O no hydrogen 3.105 N/A LEU 261.A N GLU 176.A O no hydrogen 2.886 N/A ASN 262.A N SER 114.A O no hydrogen 2.812 N/A ASN 262.A ND2 SER 114.A OG no hydrogen 2.731 N/A ASN 262.A ND2 GLU 116.A OE2 no hydrogen 3.069 N/A ARG 263.A NE GLU 176.A OE1 no hydrogen 2.697 N/A ARG 263.A NH1 GLN 108.A OE1 no hydrogen 3.452 N/A ARG 263.A NH1 SER 111.A OG no hydrogen 2.927 N/A ARG 263.A NH2 GLN 108.A OE1 no hydrogen 2.986 N/A ARG 263.A NH2 GLU 176.A OE1 no hydrogen 3.190 N/A ARG 263.A NH2 GLU 176.A OE2 no hydrogen 3.181 N/A GLY 264.A N SER 111.A O no hydrogen 3.244 N/A ILE 270.A N ILE 83.A O no hydrogen 2.722 N/A SER 272.A N GLU 85.A O no hydrogen 2.882 N/A SER 272.A OG PRO 286.A O no hydrogen 2.809 N/A ALA 274.A N SER 272.A OG no hydrogen 3.064 N/A HIS 277.A N LEU 45.A O no hydrogen 2.995 N/A THR 281.A N LYS 47.A O no hydrogen 3.123 N/A THR 281.A OG1 CYS 283.A O no hydrogen 3.002 N/A LYS 282.A NZ SER 292.A O no hydrogen 2.597 N/A LYS 282.A NZ GLU 306.A O no hydrogen 3.434 N/A CYS 283.A N THR 281.A OG1 no hydrogen 3.400 N/A GLN 284.A N ILE 304.A O no hydrogen 2.825 N/A GLN 284.A NE2 LYS 44.A O no hydrogen 3.292 N/A GLN 284.A NE2 THR 285.A O no hydrogen 2.686 N/A THR 285.A N GLY 288.A O no hydrogen 3.079 N/A THR 285.A OG1 GLY 288.A O no hydrogen 2.961 N/A HIS 287.A N THR 285.A OG1 no hydrogen 3.293 N/A GLY 288.A N THR 285.A O no hydrogen 2.777 N/A ALA 289.A N ASN 42.A OD1 no hydrogen 2.838 N/A ILE 290.A N CYS 283.A O no hydrogen 3.048 N/A SER 292.A OG GLU 38.A OE1 no hydrogen 2.806 N/A LEU 294.A N SER 292.A OG no hydrogen 3.140 N/A PHE 296.A N LEU 36.A O no hydrogen 3.108 N/A GLN 297.A N LYS 309.A O no hydrogen 2.813 N/A GLN 297.A NE2 HIS 300.A O no hydrogen 3.176 N/A GLN 297.A NE2 PRO 308.A O no hydrogen 3.163 N/A ASN 298.A N GLU 38.A O no hydrogen 3.233 N/A ASN 298.A ND2 SER 313.A O no hydrogen 2.955 N/A ILE 299.A N GLN 297.A OE1 no hydrogen 2.877 N/A HIS 300.A N GLN 297.A OE1 no hydrogen 3.218 N/A VAL 302.A N HIS 300.A ND1 no hydrogen 2.862 N/A ILE 304.A N GLN 284.A O no hydrogen 2.935 N/A GLU 306.A N LYS 282.A O no hydrogen 2.834 N/A CYS 307.A SG ILE 304.A O no hydrogen 3.981 N/A LYS 309.A N PRO 295.A O no hydrogen 2.942 N/A VAL 311.A N GLN 297.A O no hydrogen 3.068 N/A LYS 315.A NZ THR 19.A O no hydrogen 2.630 N/A ARG 317.A NH1 SER 33.A OG no hydrogen 3.021 N/A MET 318.A N VAL 34.A O no hydrogen 2.936 N/A THR 320.A N HIS 32.A O no hydrogen 3.091 N/A GLY 321.A N HIS 32.A O no hydrogen 2.919 N/A LEU 322.A N THR 31.A OG1 no hydrogen 2.928 N/A ARG 323.A NH1 GLU 25.A OE1 no hydrogen 3.537 N/A ARG 323.A NH1 GLU 25.A OE2 no hydrogen 2.876 N/A ASN 324.A N THR 29.A O no hydrogen 2.907 N/A ASN 324.A ND2 ASN 14.A O no hydrogen 2.736 N/A ASN 324.A ND2 SER 16.A O no hydrogen 3.407 N/A