Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pyw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A N THR 348.A O no hydrogen 3.377 N/A ASN 2.A ND2 GLY 73.A O no hydrogen 3.502 N/A ILE 4.A N ASN 2.A OD1 no hydrogen 3.155 N/A THR 5.A N ASN 2.A O no hydrogen 3.243 N/A THR 5.A OG1 THR 348.A O no hydrogen 2.661 N/A ASN 7.A ND2 ILE 4.A O no hydrogen 3.616 N/A LEU 8.A N ILE 4.A O no hydrogen 2.935 N/A ALA 9.A N THR 5.A O no hydrogen 2.881 N/A GLU 10.A N PRO 6.A O no hydrogen 3.013 N/A PHE 11.A N ASN 7.A O no hydrogen 2.820 N/A ALA 12.A N LEU 8.A O no hydrogen 2.828 N/A PHE 13.A N ALA 9.A O no hydrogen 3.179 N/A SER 14.A N GLU 10.A O no hydrogen 2.980 N/A SER 14.A OG GLU 10.A O no hydrogen 2.694 N/A SER 14.A OG ASN 59.A OD1 no hydrogen 3.504 N/A LEU 15.A N PHE 11.A O no hydrogen 2.898 N/A TYR 16.A N ALA 12.A O no hydrogen 2.848 N/A TYR 16.A OH GLU 242.A OE2 no hydrogen 2.600 N/A ARG 17.A N PHE 13.A O no hydrogen 2.838 N/A ARG 17.A NH1 GLU 242.A O no hydrogen 2.873 N/A GLN 18.A N SER 14.A O no hydrogen 3.065 N/A LEU 19.A N LEU 15.A O no hydrogen 3.018 N/A ALA 20.A N TYR 16.A O no hydrogen 2.838 N/A HIS 21.A N ARG 17.A O no hydrogen 3.080 N/A GLN 22.A NE2 SER 23.A O no hydrogen 3.584 N/A SER 23.A OG THR 26.A OG1 no hydrogen 2.515 N/A ASN 24.A N ALA 20.A O no hydrogen 2.940 N/A SER 25.A N SER 23.A OG no hydrogen 2.967 N/A THR 26.A OG1 SER 23.A OG no hydrogen 2.515 N/A ASN 27.A ND2 ASN 359.A O no hydrogen 2.681 N/A ILE 28.A N LYS 356.A O no hydrogen 2.809 N/A PHE 29.A N TYR 275.A OH no hydrogen 3.187 N/A PHE 30.A N MET 354.A O no hydrogen 3.057 N/A SER 31.A N HIS 306.A NE2 no hydrogen 3.106 N/A SER 31.A OG LEU 352.A O no hydrogen 2.721 N/A SER 34.A N SER 31.A O no hydrogen 3.121 N/A SER 34.A N SER 31.A OG no hydrogen 3.001 N/A ILE 35.A N SER 31.A O no hydrogen 3.238 N/A ALA 36.A N PRO 32.A O no hydrogen 2.941 N/A THR 37.A N VAL 33.A O no hydrogen 2.874 N/A THR 37.A OG1 VAL 33.A O no hydrogen 2.839 N/A THR 37.A OG1 SER 34.A O no hydrogen 2.893 N/A THR 37.A OG1 ASN 164.A OD1 no hydrogen 2.907 N/A ALA 38.A N SER 34.A O no hydrogen 3.143 N/A PHE 39.A N ILE 35.A O no hydrogen 3.142 N/A ALA 40.A N ALA 36.A O no hydrogen 2.846 N/A MET 41.A N THR 37.A O no hydrogen 3.112 N/A LEU 42.A N ALA 38.A O no hydrogen 2.964 N/A SER 43.A N PHE 39.A O no hydrogen 2.790 N/A SER 43.A OG ALA 40.A O no hydrogen 2.724 N/A GLY 45.A N LEU 42.A O no hydrogen 2.862 N/A THR 46.A N SER 43.A O no hydrogen 2.983 N/A THR 46.A OG1 SER 43.A O no hydrogen 2.543 N/A HIS 51.A N LYS 47.A O no hydrogen 3.436 N/A HIS 51.A ND1 ASP 52.A OD2 no hydrogen 2.965 N/A HIS 51.A NE2 GLU 67.A OE2 no hydrogen 2.399 N/A ASP 52.A N ALA 48.A O no hydrogen 2.987 N/A GLU 53.A N ASP 49.A O no hydrogen 2.712 N/A LEU 55.A N HIS 51.A O no hydrogen 3.331 N/A GLU 56.A N ASP 52.A O no hydrogen 2.899 N/A GLY 57.A N GLU 53.A O no hydrogen 2.577 N/A LEU 58.A N ILE 54.A O no hydrogen 2.888 N/A LEU 58.A N LEU 55.A O no hydrogen 3.190 N/A ASN 59.A N GLU 56.A O no hydrogen 2.704 N/A ASN 59.A ND2 SER 14.A OG no hydrogen 3.257 N/A PHE 60.A N LEU 55.A O no hydrogen 3.069 N/A THR 63.A N ASN 61.A OD1 no hydrogen 2.891 N/A THR 63.A OG1 ASN 61.A OD1 no hydrogen 3.158 N/A ILE 65.A N ASN 61.A O no hydrogen 3.198 N/A GLN 69.A N PRO 66.A O no hydrogen 2.760 N/A ILE 70.A N PRO 66.A O no hydrogen 3.285 N/A HIS 71.A N GLU 67.A O no hydrogen 3.489 N/A HIS 71.A ND1 TYR 116.A OH no hydrogen 2.745 N/A GLU 72.A N ALA 68.A O no hydrogen 2.984 N/A GLY 73.A N GLN 69.A O no hydrogen 2.859 N/A PHE 74.A N ILE 70.A O no hydrogen 2.854 N/A GLN 75.A N HIS 71.A O no hydrogen 2.820 N/A GLU 76.A N GLU 72.A O no hydrogen 2.912 N/A LEU 77.A N GLY 73.A O no hydrogen 2.788 N/A LEU 78.A N PHE 74.A O no hydrogen 2.938 N/A ARG 79.A N GLN 75.A O no hydrogen 3.078 N/A ARG 79.A NH2 GLU 76.A OE2 no hydrogen 3.455 N/A THR 80.A N GLU 76.A O no hydrogen 2.919 N/A THR 80.A OG1 GLU 76.A O no hydrogen 2.514 N/A LEU 81.A N LEU 77.A O no hydrogen 2.740 N/A ASN 82.A N LEU 78.A O no hydrogen 3.050 N/A ASN 82.A ND2 LEU 78.A O no hydrogen 3.299 N/A ASN 82.A ND2 THR 92.A O no hydrogen 3.058 N/A GLN 83.A N THR 80.A O no hydrogen 3.064 N/A ASP 85.A N ASN 225.A OD1 no hydrogen 2.934 N/A GLN 87.A N ASP 85.A OD2 no hydrogen 3.244 N/A LEU 88.A N ASP 85.A O no hydrogen 3.078 N/A GLN 89.A N LYS 169.A O no hydrogen 2.924 N/A THR 91.A N PHE 167.A O no hydrogen 2.978 N/A THR 92.A N ASN 82.A OD1 no hydrogen 2.811 N/A GLY 93.A N TYR 165.A O no hydrogen 3.108 N/A ASN 94.A ND2 TYR 116.A O no hydrogen 3.176 N/A GLY 95.A N VAL 163.A O no hydrogen 2.776 N/A LEU 96.A N GLU 119.A O no hydrogen 2.967 N/A PHE 97.A N ALA 161.A O no hydrogen 2.799 N/A LEU 98.A N PHE 121.A O no hydrogen 2.914 N/A SER 99.A N VAL 159.A O no hydrogen 2.964 N/A GLU 100.A N GLU 100.A OE2 no hydrogen 2.966 N/A VAL 105.A N VAL 299.A O no hydrogen 2.626 N/A LEU 109.A N VAL 105.A O no hydrogen 3.338 N/A GLU 110.A N ASP 106.A O no hydrogen 3.072 N/A ASP 111.A N LYS 107.A O no hydrogen 3.027 N/A VAL 112.A N PHE 108.A O no hydrogen 3.212 N/A LYS 113.A N LEU 109.A O no hydrogen 3.431 N/A LYS 114.A N GLU 110.A O no hydrogen 3.139 N/A LEU 115.A N ASP 111.A O no hydrogen 2.737 N/A TYR 116.A N VAL 112.A O no hydrogen 3.011 N/A TYR 116.A OH HIS 71.A ND1 no hydrogen 2.745 N/A HIS 117.A NE2 GLN 75.A O no hydrogen 3.214 N/A SER 118.A N VAL 112.A O no hydrogen 3.013 N/A SER 118.A OG ASN 94.A O no hydrogen 3.374 N/A SER 118.A OG GLU 119.A O no hydrogen 2.738 N/A GLU 119.A N ASN 94.A O no hydrogen 3.007 N/A PHE 121.A N LEU 96.A O no hydrogen 2.987 N/A VAL 123.A N LEU 98.A O no hydrogen 2.739 N/A ASN 124.A ND2 GLU 100.A OE2 no hydrogen 3.463 N/A ASP 127.A N ASN 124.A O no hydrogen 3.282 N/A GLU 130.A N ASP 127.A OD1 no hydrogen 3.341 N/A ALA 131.A N ASP 127.A O no hydrogen 2.918 N/A LYS 132.A N THR 128.A O no hydrogen 3.212 N/A LYS 132.A NZ GLU 129.A OE2 no hydrogen 3.067 N/A LYS 132.A NZ LYS 152.A O no hydrogen 2.949 N/A LYS 133.A N GLU 129.A O no hydrogen 3.078 N/A GLN 134.A N GLU 130.A O no hydrogen 2.935 N/A ILE 135.A N ALA 131.A O no hydrogen 2.889 N/A ASN 136.A N LYS 132.A O no hydrogen 2.866 N/A ASN 136.A ND2 VAL 151.A O no hydrogen 2.786 N/A ASP 137.A N LYS 133.A O no hydrogen 2.916 N/A TYR 138.A N GLN 134.A O no hydrogen 3.212 N/A TYR 138.A OH GLU 119.A OE1 no hydrogen 3.238 N/A VAL 139.A N ILE 135.A O no hydrogen 3.366 N/A GLU 140.A N ASN 136.A O no hydrogen 2.882 N/A LYS 141.A N ASP 137.A O no hydrogen 2.997 N/A GLY 142.A N TYR 138.A O no hydrogen 2.861 N/A THR 143.A N VAL 139.A O no hydrogen 2.791 N/A GLN 144.A N LYS 141.A O no hydrogen 3.250 N/A GLY 145.A N GLU 140.A O no hydrogen 2.803 N/A LYS 146.A N THR 143.A O no hydrogen 3.106 N/A VAL 151.A N ASN 136.A OD1 no hydrogen 2.793 N/A ASP 157.A N ASP 155.A OD2 no hydrogen 2.654 N/A THR 158.A N ASP 155.A O no hydrogen 3.438 N/A THR 158.A OG1 ASP 155.A O no hydrogen 2.932 N/A ALA 161.A N PHE 97.A O no hydrogen 2.906 N/A VAL 163.A N GLY 95.A O no hydrogen 2.908 N/A TYR 165.A N GLY 93.A O no hydrogen 3.030 N/A PHE 167.A N THR 91.A O no hydrogen 2.716 N/A LYS 169.A N GLN 89.A O no hydrogen 2.818 N/A TRP 172.A N LYS 315.A O no hydrogen 3.030 N/A TRP 172.A NE1 ASP 313.A O no hydrogen 2.907 N/A GLU 173.A N LYS 221.A O no hydrogen 3.043 N/A ARG 174.A NE GLU 323.A OE1 no hydrogen 2.817 N/A ARG 174.A NH1 GLU 173.A OE2 no hydrogen 2.914 N/A ARG 174.A NH2 GLU 323.A OE1 no hydrogen 2.793 N/A PHE 176.A N GLU 314.A O no hydrogen 2.940 N/A ASP 180.A N GLU 177.A O no hydrogen 2.917 N/A THR 181.A N VAL 178.A O no hydrogen 3.186 N/A THR 181.A OG1 GLU 314.A OE1 no hydrogen 2.696 N/A GLU 182.A N MET 198.A O no hydrogen 3.102 N/A GLU 184.A N VAL 196.A O no hydrogen 2.868 N/A PHE 186.A N VAL 194.A O no hydrogen 2.777 N/A HIS 187.A N ASN 336.A O no hydrogen 2.719 N/A ASP 189.A N THR 192.A O no hydrogen 3.268 N/A GLN 190.A N GLN 190.A OE1 no hydrogen 2.656 N/A THR 192.A N ASP 189.A O no hydrogen 3.421 N/A THR 192.A OG1 ASP 189.A OD2 no hydrogen 2.955 N/A VAL 194.A N PHE 186.A O no hydrogen 3.043 N/A LYS 195.A NZ ASP 185.A OD2 no hydrogen 2.874 N/A VAL 196.A N GLU 184.A O no hydrogen 2.885 N/A MET 198.A N GLU 182.A O no hydrogen 2.709 N/A MET 199.A N LEU 266.A O no hydrogen 2.710 N/A LYS 200.A NZ ASP 180.A O no hydrogen 2.705 N/A LYS 200.A NZ GLU 182.A OE2 no hydrogen 2.555 N/A ARG 201.A N LEU 264.A O no hydrogen 3.046 N/A GLY 203.A N ALA 262.A O no hydrogen 3.177 N/A MET 204.A N GLU 323.A OE2 no hydrogen 2.874 N/A PHE 205.A N ARG 260.A O no hydrogen 2.789 N/A ASN 206.A ND2 ASN 256.A O no hydrogen 2.925 N/A GLN 208.A N VAL 217.A O no hydrogen 3.065 N/A HIS 209.A NE2 ASP 234.A OD2 no hydrogen 2.722 N/A CYS 210.A N SER 215.A O no hydrogen 2.893 N/A SER 214.A N LYS 211.A O no hydrogen 3.135 N/A SER 214.A OG LYS 211.A O no hydrogen 3.482 N/A SER 215.A N CYS 210.A O no hydrogen 3.228 N/A SER 215.A OG LEU 213.A O no hydrogen 2.928 N/A TRP 216.A N LEU 232.A O no hydrogen 2.967 N/A VAL 217.A N GLN 208.A O no hydrogen 2.684 N/A LEU 218.A N PHE 230.A O no hydrogen 2.959 N/A LEU 219.A N ASN 206.A O no hydrogen 2.913 N/A MET 220.A N ALA 228.A O no hydrogen 2.821 N/A TYR 222.A N ALA 226.A O no hydrogen 2.930 N/A LEU 223.A N LYS 171.A O no hydrogen 2.906 N/A ASN 225.A ND2 GLU 345.A OE1 no hydrogen 2.676 N/A THR 227.A N ILE 344.A O no hydrogen 3.033 N/A THR 227.A OG1.A GLN 346.A OE1 no hydrogen 2.937 N/A ALA 228.A N MET 220.A O no hydrogen 2.832 N/A ILE 229.A N LEU 342.A O no hydrogen 2.735 N/A PHE 230.A N LEU 218.A O no hydrogen 2.747 N/A PHE 231.A N VAL 340.A O no hydrogen 2.735 N/A LEU 232.A N TRP 216.A O no hydrogen 2.904 N/A ASP 234.A N SER 214.A O no hydrogen 2.617 N/A LYS 237.A N ASP 234.A O no hydrogen 2.802 N/A HIS 240.A NE2 LYS 212.A O no hydrogen 2.917 N/A LEU 241.A N LYS 237.A O no hydrogen 2.968 N/A GLU 242.A N LEU 238.A O no hydrogen 2.798 N/A ASN 243.A N GLN 239.A O no hydrogen 2.832 N/A GLU 244.A N HIS 240.A O no hydrogen 2.973 N/A GLU 244.A N LEU 241.A O no hydrogen 3.162 N/A ILE 249.A N THR 246.A OG1 no hydrogen 2.809 N/A ILE 250.A N THR 246.A O no hydrogen 3.231 N/A THR 251.A N HIS 247.A O no hydrogen 2.965 N/A THR 251.A OG1 HIS 247.A O no hydrogen 3.000 N/A LYS 252.A N ASP 248.A O no hydrogen 3.126 N/A PHE 253.A N ILE 249.A O no hydrogen 3.225 N/A LEU 254.A N ILE 250.A O no hydrogen 2.956 N/A GLU 255.A N THR 251.A O no hydrogen 3.266 N/A GLU 255.A N LYS 252.A O no hydrogen 2.949 N/A ASN 256.A N PHE 253.A O no hydrogen 3.067 N/A ARG 259.A NH1 MET 204.A O no hydrogen 3.059 N/A ARG 260.A N PHE 205.A O no hydrogen 2.804 N/A ALA 262.A N GLY 203.A O no hydrogen 3.065 N/A SER 263.A N PRO 331.A O no hydrogen 3.002 N/A LEU 264.A N ARG 201.A O no hydrogen 2.970 N/A HIS 265.A N VAL 333.A O no hydrogen 2.990 N/A HIS 265.A ND1 GLU 184.A OE2 no hydrogen 2.707 N/A LEU 266.A N MET 199.A O no hydrogen 2.811 N/A LYS 268.A N PRO 197.A O no hydrogen 3.015 N/A LEU 269.A N ILE 312.A O no hydrogen 3.094 N/A ILE 271.A N LEU 310.A O no hydrogen 3.033 N/A GLY 273.A N ALA 308.A O no hydrogen 2.856 N/A TYR 275.A N HIS 306.A O no hydrogen 2.720 N/A LEU 277.A N ALA 304.A O no hydrogen 2.924 N/A LYS 278.A N ASP 276.A OD2 no hydrogen 3.353 N/A SER 279.A OG ASP 276.A O no hydrogen 3.256 N/A SER 279.A OG ASP 276.A OD1 no hydrogen 3.065 N/A LEU 281.A N LEU 277.A O no hydrogen 2.966 N/A GLY 282.A N LYS 278.A O no hydrogen 2.810 N/A GLN 283.A N SER 279.A O no hydrogen 3.187 N/A LEU 284.A N LEU 281.A O no hydrogen 2.953 N/A GLY 285.A N GLY 282.A O no hydrogen 3.170 N/A ILE 286.A N LEU 281.A O no hydrogen 3.129 N/A THR 287.A N GLU 53.A OE2 no hydrogen 3.297 N/A LYS 288.A N GLU 53.A OE2 no hydrogen 2.921 N/A PHE 290.A N THR 287.A O no hydrogen 3.262 N/A SER 291.A N LYS 288.A O no hydrogen 2.726 N/A SER 291.A OG LYS 288.A O no hydrogen 2.909 N/A ALA 294.A N SER 291.A O no hydrogen 3.279 N/A ASP 295.A N THR 50.A OG1 no hydrogen 3.045 N/A SER 297.A OG ASP 295.A OD2 no hydrogen 3.535 N/A THR 300.A OG1 LYS 103.A O no hydrogen 2.490 N/A HIS 306.A N TYR 275.A O no hydrogen 2.962 N/A ALA 308.A N GLY 273.A O no hydrogen 2.785 N/A LEU 310.A N ILE 271.A O no hydrogen 2.798 N/A ILE 312.A N LEU 269.A O no hydrogen 2.758 N/A GLU 314.A N GLU 314.A OE2 no hydrogen 2.729 N/A VAL 333.A N SER 263.A O no hydrogen 2.899 N/A LYS 334.A NZ GLU 184.A OE1 no hydrogen 3.124 N/A PHE 335.A N HIS 265.A O no hydrogen 2.925 N/A LYS 337.A NZ PRO 233.A O no hydrogen 2.685 N/A PHE 339.A N VAL 357.A O no hydrogen 3.159 N/A VAL 340.A N PHE 231.A O no hydrogen 3.103 N/A PHE 341.A N GLY 355.A O no hydrogen 3.015 N/A LEU 342.A N ILE 229.A O no hydrogen 2.905 N/A MET 343.A N PHE 353.A O no hydrogen 2.898 N/A ILE 344.A N THR 227.A O no hydrogen 2.848 N/A GLU 345.A N SER 350.A O no hydrogen 3.000 N/A GLN 346.A N ASN 225.A O no hydrogen 2.745 N/A ASN 347.A N GLU 345.A OE1 no hydrogen 2.932 N/A THR 348.A N GLU 345.A OE2 no hydrogen 2.663 N/A THR 348.A OG1 GLU 345.A OE2 no hydrogen 2.503 N/A THR 348.A OG1 SER 350.A OG no hydrogen 2.976 N/A LYS 349.A N GLU 345.A O no hydrogen 2.671 N/A LYS 349.A NZ GLN 346.A O no hydrogen 2.718 N/A SER 350.A N THR 348.A OG1 no hydrogen 3.195 N/A SER 350.A OG THR 348.A OG1 no hydrogen 2.976 N/A PHE 353.A N MET 343.A O no hydrogen 3.505 N/A MET 354.A N PHE 30.A O no hydrogen 2.890 N/A GLY 355.A N PHE 341.A O no hydrogen 2.975 N/A LYS 356.A N ILE 28.A O no hydrogen 2.823 N/A LYS 356.A NZ GLU 242.A OE2 no hydrogen 2.747 N/A VAL 357.A N PHE 339.A O no hydrogen 2.930 N/A VAL 358.A N ASN 27.A OD1 no hydrogen 2.779 N/A ASN 359.A N ASN 27.A OD1 no hydrogen 2.915 N/A THR 361.A N ASN 359.A OD1 no hydrogen 3.119 N/A THR 361.A OG1 ASN 359.A OD1 no hydrogen 2.998 N/A GLN 362.A N ASN 359.A O no hydrogen 3.192 N/A