Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pfe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 4.A OE2 no hydrogen 3.559 N/A LYS 2.A NZ MET 84.A O no hydrogen 3.036 N/A PHE 7.A N GLU 4.A O no hydrogen 2.755 N/A THR 8.A OG1 GLU 5.A O no hydrogen 2.587 N/A VAL 11.A N GLY 34.A O no hydrogen 2.875 N/A ILE 13.A N GLY 32.A O no hydrogen 2.692 N/A LEU 14.A N LEU 115.A O no hydrogen 3.050 N/A VAL 15.A N GLY 30.A O no hydrogen 2.656 N/A GLU 16.A N ASN 117.A O no hydrogen 2.908 N/A LEU 17.A N VAL 28.A O no hydrogen 2.658 N/A ASP 18.A N ILE 119.A O no hydrogen 2.985 N/A GLY 19.A N PHE 26.A O no hydrogen 3.009 N/A ASP 20.A N LEU 121.A O no hydrogen 2.884 N/A VAL 21.A N HIS 24.A O no hydrogen 2.920 N/A ASN 22.A N GLY 123.A O no hydrogen 3.174 N/A ASN 22.A ND2 PHE 126.A O no hydrogen 2.564 N/A GLY 23.A N ASP 20.A OD1 no hydrogen 3.100 N/A HIS 24.A N VAL 21.A O no hydrogen 2.971 N/A HIS 24.A NE2 GLU 128.A OE2 no hydrogen 2.935 N/A PHE 26.A N GLY 19.A O no hydrogen 2.958 N/A SER 27.A N THR 49.A OG1 no hydrogen 3.245 N/A SER 27.A OG ASP 18.A OD1 no hydrogen 3.211 N/A VAL 28.A N LEU 17.A O no hydrogen 2.702 N/A ARG 29.A N ILE 46.A O no hydrogen 2.950 N/A ARG 29.A NH1 GLU 31.A OE1 no hydrogen 2.307 N/A GLY 30.A N VAL 15.A O no hydrogen 2.669 N/A GLU 31.A N LYS 44.A O no hydrogen 3.064 N/A GLY 32.A N ILE 13.A O no hydrogen 3.119 N/A GLU 33.A N THR 42.A O no hydrogen 3.047 N/A GLY 34.A N VAL 11.A O no hydrogen 2.778 N/A ASP 35.A N LYS 40.A O no hydrogen 2.794 N/A THR 37.A OG1 THR 8.A O no hydrogen 3.365 N/A ASN 38.A N ASP 35.A OD2 no hydrogen 2.993 N/A ASN 38.A ND2 ASP 35.A OD2 no hydrogen 2.965 N/A GLY 39.A N ALA 36.A O no hydrogen 3.124 N/A LYS 40.A N ASP 35.A O no hydrogen 2.740 N/A LEU 41.A N GLU 218.A O no hydrogen 2.846 N/A THR 42.A N GLU 33.A O no hydrogen 3.328 N/A LEU 43.A N LEU 216.A O no hydrogen 2.895 N/A LYS 44.A N GLU 31.A O no hydrogen 3.015 N/A LYS 44.A NZ ASP 206.A OD2 no hydrogen 2.885 N/A LYS 44.A NZ GLU 209.A OE1 no hydrogen 3.505 N/A PHE 45.A N MET 214.A O no hydrogen 2.704 N/A ILE 46.A N ARG 29.A O no hydrogen 2.730 N/A CYS 47.A N ASP 212.A O no hydrogen 2.844 N/A CYS 47.A SG SER 27.A O no hydrogen 3.622 N/A CYS 47.A SG THR 49.A OG1 no hydrogen 2.998 N/A CYS 47.A SG GLY 50.A O no hydrogen 3.029 N/A THR 48.A N SER 27.A O no hydrogen 2.936 N/A THR 48.A OG1 SER 27.A O no hydrogen 3.546 N/A LEU 52.A N ASP 212.A OD2 no hydrogen 2.768 N/A TRP 56.A NE1 ASP 212.A OD1 no hydrogen 3.063 N/A THR 58.A N PRO 55.A O no hydrogen 3.199 N/A THR 58.A OG1 PRO 55.A O no hydrogen 2.560 N/A THR 58.A OG1 TYR 102.A OH no hydrogen 3.061 N/A LEU 59.A N TRP 56.A O no hydrogen 3.013 N/A VAL 60.A N PRO 57.A O no hydrogen 3.249 N/A THR 61.A OG1 HIS 177.A NE2 no hydrogen 2.659 N/A LEU 63.A N LEU 59.A O no hydrogen 2.823 N/A CYS 66.A SG VAL 64.A O no hydrogen 3.810 N/A CYS 66.A SG TYR 88.A OH no hydrogen 3.886 N/A PHE 67.A N VAL 64.A O no hydrogen 2.950 N/A SER 68.A N GLN 65.A O no hydrogen 3.060 N/A SER 68.A OG GLN 65.A O no hydrogen 2.206 N/A ARG 69.A N VAL 220.A O no hydrogen 2.998 N/A TYR 70.A OH HIS 195.A NE2 no hydrogen 2.634 N/A MET 74.A N PRO 71.A O no hydrogen 2.826 N/A LYS 75.A N ASP 72.A O no hydrogen 3.207 N/A LYS 75.A NZ TYR 70.A O no hydrogen 2.982 N/A HIS 77.A N MET 74.A O no hydrogen 2.730 N/A ASP 78.A N LYS 75.A O no hydrogen 3.501 N/A LYS 81.A N ASP 78.A OD1 no hydrogen 3.216 N/A LYS 81.A NZ CYS 66.A O no hydrogen 2.647 N/A LYS 81.A NZ SER 68.A O no hydrogen 2.985 N/A LYS 81.A NZ ASP 78.A OD2 no hydrogen 2.896 N/A SER 82.A OG PHE 79.A O no hydrogen 2.685 N/A ALA 83.A N PHE 80.A O no hydrogen 3.465 N/A MET 84.A N LYS 81.A O no hydrogen 3.285 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.569 N/A GLY 87.A N ALA 83.A O no hydrogen 2.574 N/A TYR 88.A N VAL 108.A O no hydrogen 3.175 N/A VAL 89.A N THR 182.A O no hydrogen 2.657 N/A GLN 90.A N ALA 106.A O no hydrogen 2.867 N/A GLU 91.A N GLN 180.A O no hydrogen 2.974 N/A ARG 92.A N THR 104.A O no hydrogen 3.043 N/A ARG 92.A NE GLN 179.A OE1 no hydrogen 3.054 N/A ARG 92.A NH1 THR 61.A O no hydrogen 2.632 N/A ARG 92.A NH2 GLN 179.A OE1 no hydrogen 3.106 N/A THR 93.A N TYR 178.A O no hydrogen 2.962 N/A ILE 94.A N TYR 102.A O no hydrogen 2.894 N/A SER 95.A N ASP 176.A O no hydrogen 2.977 N/A PHE 96.A N GLY 100.A O no hydrogen 3.127 N/A LYS 97.A N LEU 174.A O no hydrogen 2.958 N/A ASP 99.A N PHE 96.A O no hydrogen 3.024 N/A GLY 100.A N ASP 99.A OD1 no hydrogen 2.759 N/A THR 101.A N ILE 124.A O no hydrogen 2.916 N/A TYR 102.A N ILE 94.A O no hydrogen 2.809 N/A TYR 102.A OH THR 58.A OG1 no hydrogen 3.061 N/A LYS 103.A N LYS 122.A O no hydrogen 2.833 N/A THR 104.A N ARG 92.A O no hydrogen 2.976 N/A THR 104.A OG1 ARG 92.A O no hydrogen 3.485 N/A ARG 105.A N GLU 120.A O no hydrogen 2.995 N/A ARG 105.A NH2 GLU 107.A OE1 no hydrogen 3.205 N/A ALA 106.A N GLN 90.A O no hydrogen 2.774 N/A GLU 107.A N ARG 118.A O no hydrogen 3.023 N/A VAL 108.A N TYR 88.A O no hydrogen 3.036 N/A LYS 109.A N VAL 116.A O no hydrogen 3.268 N/A LYS 109.A NZ GLU 111.A OE2 no hydrogen 3.420 N/A PHE 110.A N PRO 85.A O no hydrogen 3.415 N/A GLU 111.A N THR 114.A O no hydrogen 2.874 N/A THR 114.A N GLU 111.A O no hydrogen 3.213 N/A THR 114.A OG1 PRO 12.A O no hydrogen 3.484 N/A LEU 115.A N PRO 12.A O no hydrogen 3.008 N/A VAL 116.A N LYS 109.A O no hydrogen 2.871 N/A ASN 117.A N LEU 14.A O no hydrogen 2.920 N/A ASN 117.A ND2 THR 62.A O no hydrogen 3.450 N/A ASN 117.A ND2 LEU 63.A O no hydrogen 3.321 N/A ARG 118.A N GLU 107.A O no hydrogen 3.156 N/A ARG 118.A NE GLU 111.A OE2 no hydrogen 3.028 N/A ARG 118.A NH2 GLU 111.A OE1 no hydrogen 3.314 N/A ILE 119.A N GLU 16.A O no hydrogen 2.915 N/A GLU 120.A N ARG 105.A O no hydrogen 2.894 N/A LEU 121.A N ASP 18.A O no hydrogen 2.823 N/A LYS 122.A N LYS 103.A O no hydrogen 2.824 N/A GLY 123.A N ASP 20.A O no hydrogen 2.469 N/A ILE 124.A N THR 101.A O no hydrogen 3.001 N/A PHE 126.A N ASN 22.A OD1 no hydrogen 2.952 N/A LYS 127.A N ASP 99.A OD1 no hydrogen 2.769 N/A LYS 127.A NZ ASP 98.A O no hydrogen 2.918 N/A ASP 129.A N ASP 129.A OD1 no hydrogen 2.563 N/A GLY 130.A N LYS 127.A O no hydrogen 3.066 N/A ASN 131.A ND2 GLN 173.A OE1 no hydrogen 2.927 N/A GLY 134.A N GLY 130.A O no hydrogen 2.902 N/A HIS 135.A N ILE 132.A O no hydrogen 3.076 N/A LYS 136.A N ASN 131.A O no hydrogen 2.919 N/A LYS 136.A NZ GLY 134.A O no hydrogen 3.514 N/A GLU 138.A N ASN 166.A O no hydrogen 2.870 N/A TYR 139.A OH SER 204.A O no hydrogen 2.673 N/A ASN 140.A ND2 GLU 138.A OE2 no hydrogen 3.239 N/A ASN 142.A ND2 ARG 164.A O no hydrogen 2.768 N/A ASN 142.A ND2 ASN 166.A OD1 no hydrogen 3.154 N/A HIS 144.A N THR 199.A O no hydrogen 3.150 N/A VAL 146.A N LEU 197.A O no hydrogen 2.832 N/A ILE 148.A N HIS 195.A O no hydrogen 2.728 N/A THR 149.A N LYS 158.A O no hydrogen 2.989 N/A THR 149.A OG1 ALA 150.A O no hydrogen 3.303 N/A THR 149.A OG1 ASN 194.A OD1 no hydrogen 3.451 N/A ASP 151.A N GLY 156.A O no hydrogen 2.705 N/A LYS 154.A N ASP 151.A OD2 no hydrogen 3.119 N/A ASN 155.A N LYS 152.A O no hydrogen 3.437 N/A GLY 156.A N ASP 151.A O no hydrogen 3.138 N/A ILE 157.A N ASN 181.A O no hydrogen 3.319 N/A LYS 158.A N THR 149.A O no hydrogen 2.874 N/A ALA 159.A N GLN 179.A O no hydrogen 2.838 N/A ASN 160.A N TYR 147.A O no hydrogen 3.355 N/A PHE 161.A N HIS 177.A O no hydrogen 3.322 N/A ILE 163.A N ALA 175.A O no hydrogen 2.904 N/A ARG 164.A N HIS 144.A NE2 no hydrogen 2.925 N/A HIS 165.A N GLN 173.A O no hydrogen 2.831 N/A VAL 167.A N SER 171.A O no hydrogen 2.762 N/A GLU 168.A N LYS 136.A O no hydrogen 2.837 N/A GLY 170.A N VAL 167.A O no hydrogen 2.931 N/A SER 171.A N ASP 169.A OD1 no hydrogen 3.025 N/A SER 171.A OG ASP 169.A OD1 no hydrogen 2.610 N/A GLN 173.A N HIS 165.A O no hydrogen 2.618 N/A GLN 173.A NE2 LYS 97.A O no hydrogen 2.940 N/A GLN 173.A NE2 LEU 174.A O no hydrogen 3.503 N/A ALA 175.A N ILE 163.A O no hydrogen 2.893 N/A ASP 176.A N SER 95.A O no hydrogen 2.963 N/A HIS 177.A N PHE 161.A O no hydrogen 2.803 N/A HIS 177.A ND1 ALA 175.A O no hydrogen 2.998 N/A HIS 177.A NE2 THR 61.A OG1 no hydrogen 2.659 N/A TYR 178.A N THR 93.A O no hydrogen 3.073 N/A GLN 179.A N ALA 159.A O no hydrogen 2.896 N/A GLN 179.A NE2 GLN 65.A OE1 no hydrogen 3.015 N/A GLN 179.A NE2 ASN 181.A OD1 no hydrogen 3.117 N/A GLN 180.A N GLU 91.A O no hydrogen 2.961 N/A ASN 181.A N ILE 157.A O no hydrogen 2.922 N/A ASN 181.A ND2 GLN 90.A OE1 no hydrogen 3.156 N/A THR 182.A N VAL 89.A O no hydrogen 3.036 N/A ILE 184.A N GLY 87.A O no hydrogen 2.716 N/A LEU 190.A N SER 82.A OG no hydrogen 3.169 N/A ASP 193.A N HIS 77.A ND1 no hydrogen 2.983 N/A HIS 195.A N ILE 148.A O no hydrogen 3.042 N/A HIS 195.A ND1 ASP 193.A O no hydrogen 3.030 N/A HIS 195.A NE2 TYR 70.A OH no hydrogen 2.634 N/A TYR 196.A N ALA 223.A O no hydrogen 3.027 N/A LEU 197.A N VAL 146.A O no hydrogen 2.835 N/A SER 198.A N THR 221.A O no hydrogen 2.925 N/A THR 199.A N HIS 144.A O no hydrogen 3.027 N/A THR 199.A OG1 HIS 144.A O no hydrogen 3.166 N/A GLN 200.A N PHE 219.A O no hydrogen 2.832 N/A SER 201.A OG GLU 218.A OE1 no hydrogen 2.893 N/A VAL 202.A N LEU 217.A O no hydrogen 2.824 N/A SER 204.A N VAL 215.A O no hydrogen 2.846 N/A SER 204.A OG VAL 215.A O no hydrogen 3.474 N/A ASP 206.A N HIS 213.A NE2 no hydrogen 2.858 N/A GLU 209.A N ASP 206.A O no hydrogen 3.039 N/A ARG 211.A N GLU 209.A OE2 no hydrogen 3.048 N/A HIS 213.A ND1 ARG 211.A O no hydrogen 2.838 N/A MET 214.A N PHE 45.A O no hydrogen 2.878 N/A VAL 215.A N SER 204.A O no hydrogen 2.984 N/A LEU 216.A N LEU 43.A O no hydrogen 2.789 N/A LEU 217.A N VAL 202.A O no hydrogen 3.027 N/A GLU 218.A N LEU 41.A O no hydrogen 2.947 N/A PHE 219.A N GLN 200.A O no hydrogen 2.768 N/A VAL 220.A N GLY 39.A O no hydrogen 2.903 N/A THR 221.A N SER 198.A O no hydrogen 3.062 N/A THR 221.A OG1 ALA 222.A O no hydrogen 3.383 N/A ALA 222.A N ARG 69.A O no hydrogen 2.776 N/A ALA 223.A N TYR 196.A O no hydrogen 2.936 N/A VAL 228.A N GLN 227.A OE1 no hydrogen 3.034 N/A GLN 229.A N SER 251.A O no hydrogen 2.929 N/A VAL 231.A N ALA 249.A O no hydrogen 2.961 N/A GLU 232.A N GLU 232.A OE1 no hydrogen 2.623 N/A SER 233.A N SER 247.A O no hydrogen 2.651 N/A GLY 235.A N THR 335.A OG1 no hydrogen 2.970 N/A VAL 238.A N THR 338.A O no hydrogen 2.782 N/A GLY 241.A N LEU 312.A O no hydrogen 2.595 N/A GLY 242.A N GLN 239.A O no hydrogen 2.944 N/A SER 243.A OG MET 309.A O no hydrogen 3.484 N/A SER 243.A OG ASN 310.A OD1 no hydrogen 3.024 N/A LEU 244.A N MET 309.A O no hydrogen 3.149 N/A ARG 245.A NH1 GLN 308.A OE1 no hydrogen 3.319 N/A LEU 246.A N LEU 307.A O no hydrogen 2.855 N/A SER 247.A N SER 233.A O no hydrogen 3.033 N/A CYS 248.A N VAL 305.A O no hydrogen 2.761 N/A ALA 249.A N VAL 231.A O no hydrogen 2.809 N/A ALA 250.A N ASN 303.A O no hydrogen 3.278 N/A SER 251.A N GLN 229.A O no hydrogen 2.927 N/A VAL 255.A N ASN 303.A OD1 no hydrogen 2.806 N/A ARG 257.A N PRO 254.A O no hydrogen 3.399 N/A ARG 261.A N ASN 323.A O no hydrogen 2.914 N/A ARG 261.A NH1 SER 259.A OG no hydrogen 3.111 N/A TRP 262.A N ALA 275.A O no hydrogen 2.560 N/A TYR 263.A N TYR 321.A O no hydrogen 2.711 N/A ARG 264.A N GLU 272.A O no hydrogen 2.911 N/A ARG 264.A NE GLU 272.A OE2 no hydrogen 2.705 N/A ARG 264.A NH1 ASP 316.A OD1 no hydrogen 2.941 N/A ARG 264.A NH1 TYR 320.A OH no hydrogen 2.914 N/A ARG 264.A NH2 GLU 272.A OE2 no hydrogen 3.044 N/A GLN 265.A N VAL 319.A O no hydrogen 2.982 N/A GLN 265.A NE2 LYS 269.A O no hydrogen 3.182 N/A LYS 269.A N ALA 266.A O no hydrogen 3.027 N/A GLU 272.A N ARG 264.A O no hydrogen 2.846 N/A VAL 274.A N TRP 262.A O no hydrogen 2.875 N/A ALA 275.A N TRP 262.A O no hydrogen 3.341 N/A GLY 276.A N SER 285.A O no hydrogen 3.042 N/A MET 277.A N MET 260.A O no hydrogen 3.014 N/A SER 278.A N ARG 283.A O no hydrogen 2.662 N/A SER 278.A OG ASP 282.A OD1 no hydrogen 2.547 N/A SER 278.A OG ARG 283.A O no hydrogen 3.388 N/A GLY 281.A N SER 278.A OG no hydrogen 2.868 N/A ARG 283.A N SER 278.A OG no hydrogen 3.083 N/A ARG 283.A NE ASP 282.A O no hydrogen 3.128 N/A SER 285.A N GLY 276.A O no hydrogen 2.739 N/A GLU 287.A N VAL 274.A O no hydrogen 2.852 N/A VAL 290.A N GLU 287.A O no hydrogen 3.115 N/A LYS 291.A N ASP 288.A O no hydrogen 3.373 N/A ARG 293.A N VAL 290.A O no hydrogen 3.043 N/A ARG 293.A NH1 ASN 310.A O no hydrogen 3.570 N/A ARG 293.A NH1 SER 311.A O no hydrogen 3.072 N/A ARG 293.A NH1 ASP 316.A OD2 no hydrogen 3.075 N/A ARG 293.A NH2 SER 289.A O no hydrogen 2.875 N/A ARG 293.A NH2 ASP 316.A OD1 no hydrogen 3.403 N/A PHE 294.A N VAL 290.A O no hydrogen 3.067 N/A THR 295.A N GLN 308.A O no hydrogen 2.877 N/A ILE 296.A N TYR 286.A OH no hydrogen 2.737 N/A SER 297.A N TYR 306.A O no hydrogen 3.345 N/A ARG 298.A NE ASP 300.A OD1 no hydrogen 3.302 N/A ARG 298.A NH1 SER 278.A O no hydrogen 2.849 N/A ARG 298.A NH1 SER 279.A O no hydrogen 3.129 N/A ARG 298.A NH2 SER 279.A O no hydrogen 2.817 N/A ASP 299.A N THR 304.A O no hydrogen 2.822 N/A ARG 302.A N ASP 299.A OD1 no hydrogen 3.272 N/A ARG 302.A NH1 ASP 299.A OD2 no hydrogen 3.481 N/A ASN 303.A N ASP 300.A O no hydrogen 3.395 N/A ASN 303.A ND2 ALA 250.A O no hydrogen 3.098 N/A ASN 303.A ND2 PHE 253.A O no hydrogen 2.955 N/A THR 304.A N ASP 299.A O no hydrogen 3.169 N/A THR 304.A OG1 CYS 248.A O no hydrogen 3.029 N/A THR 304.A OG1 VAL 305.A O no hydrogen 3.561 N/A VAL 305.A N CYS 248.A O no hydrogen 2.957 N/A TYR 306.A N SER 297.A O no hydrogen 2.834 N/A LEU 307.A N LEU 246.A O no hydrogen 2.852 N/A GLN 308.A N THR 295.A O no hydrogen 2.691 N/A GLN 308.A NE2 ASN 310.A OD1 no hydrogen 2.883 N/A MET 309.A N LEU 244.A O no hydrogen 2.941 N/A ASN 310.A N ARG 293.A O no hydrogen 3.176 N/A LEU 312.A N GLY 242.A O no hydrogen 3.166 N/A LYS 313.A N ASP 316.A OD2 no hydrogen 2.677 N/A ASP 316.A N LYS 313.A O no hydrogen 2.882 N/A THR 317.A N PRO 314.A O no hydrogen 3.004 N/A THR 317.A OG1 PRO 314.A O no hydrogen 2.739 N/A ALA 318.A N VAL 337.A O no hydrogen 3.151 N/A VAL 319.A N GLN 265.A O no hydrogen 3.077 N/A TYR 320.A N THR 335.A O no hydrogen 2.886 N/A TYR 320.A OH ASP 316.A O no hydrogen 2.667 N/A TYR 321.A N TYR 263.A O no hydrogen 2.661 N/A CYS 322.A N GLU 232.A OE2 no hydrogen 2.775 N/A CYS 322.A SG ARG 261.A O no hydrogen 3.599 N/A ASN 323.A N ARG 261.A O no hydrogen 2.702 N/A VAL 324.A N TYR 330.A O no hydrogen 3.314 N/A TYR 330.A N VAL 324.A O no hydrogen 2.799 N/A GLN 333.A NE2 GLU 232.A O no hydrogen 3.301 N/A GLN 333.A NE2 GLY 334.A O no hydrogen 3.327 N/A GLY 334.A N GLU 232.A OE1 no hydrogen 2.996 N/A THR 335.A N TYR 320.A O no hydrogen 3.068 N/A VAL 337.A N ALA 318.A O no hydrogen 3.095 N/A THR 338.A N ALA 236.A O no hydrogen 2.898 N/A THR 338.A OG1 GLN 336.A OE1 no hydrogen 2.841 N/A VAL 339.A N THR 317.A OG1 no hydrogen 2.902 N/A SER 340.A N VAL 238.A O no hydrogen 3.127 N/A