Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pn1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N LYS 3.A O no hydrogen 2.914 N/A LYS 3.A N GLY 1.A O no hydrogen 3.035 N/A HIS 5.A N THR 72.A OG1 no hydrogen 2.808 N/A HIS 5.A NE2 SER 31.A OG no hydrogen 2.639 N/A LEU 6.A N ARG 29.A O no hydrogen 2.877 N/A LEU 7.A N ALA 73.A O no hydrogen 2.814 N/A ILE 8.A N SER 31.A O no hydrogen 2.836 N/A THR 9.A N LEU 75.A O no hydrogen 2.951 N/A THR 9.A OG1 LEU 75.A O no hydrogen 3.540 N/A THR 9.A OG1 GLU 81.A OE1 no hydrogen 3.128 N/A THR 9.A OG1 GLU 81.A OE2 no hydrogen 2.815 N/A SER 10.A OG GLU 81.A OE1 no hydrogen 2.586 N/A ALA 11.A N ALA 33.A O no hydrogen 3.192 N/A GLY 12.A N ASP 34.A OD1 no hydrogen 3.151 N/A ARG 13.A NH2 ASP 286.A OD1 no hydrogen 3.032 N/A ARG 14.A N ALA 11.A O no hydrogen 2.970 N/A ARG 14.A NH1 GLY 245.A O no hydrogen 2.999 N/A ARG 14.A NH2 GLY 245.A O no hydrogen 3.142 N/A ALA 15.A N ARG 13.A O no hydrogen 2.864 N/A VAL 18.A N ARG 14.A O no hydrogen 3.202 N/A GLU 19.A N ALA 15.A O no hydrogen 2.983 N/A TYR 20.A N LYS 16.A O no hydrogen 2.972 N/A TYR 20.A OH GLU 253.A OE2 no hydrogen 2.785 N/A PHE 21.A N LEU 17.A O no hydrogen 3.082 N/A VAL 22.A N VAL 18.A O no hydrogen 2.835 N/A LYS 23.A N GLU 19.A O no hydrogen 2.971 N/A GLU 24.A N TYR 20.A O no hydrogen 2.950 N/A PHE 25.A N PHE 21.A O no hydrogen 2.892 N/A LYS 26.A N GLU 24.A O no hydrogen 2.905 N/A LYS 26.A NZ LYS 23.A O no hydrogen 2.861 N/A THR 27.A OG1 GLN 2.A O no hydrogen 2.616 N/A THR 27.A OG1 TYR 263.A OH no hydrogen 2.521 N/A ARG 29.A N PRO 4.A O no hydrogen 2.855 N/A ARG 29.A NH1 ASP 45.A OD2 no hydrogen 3.322 N/A SER 31.A N LEU 6.A O no hydrogen 2.795 N/A SER 31.A OG HIS 5.A NE2 no hydrogen 2.639 N/A SER 31.A OG GLN 46.A OE1 no hydrogen 3.543 N/A THR 32.A N GLN 46.A O no hydrogen 3.130 N/A THR 32.A OG1 LEU 42.A O no hydrogen 2.819 N/A ALA 33.A N ILE 8.A O no hydrogen 2.790 N/A ASP 34.A N TYR 48.A O no hydrogen 3.176 N/A SER 36.A N ASP 34.A OD2 no hydrogen 3.147 N/A LEU 38.A N SER 36.A OG no hydrogen 2.916 N/A ALA 39.A N SER 36.A O no hydrogen 3.300 N/A ALA 41.A N GLY 12.A O no hydrogen 2.892 N/A LEU 42.A N ALA 39.A O no hydrogen 3.172 N/A TYR 43.A N SER 40.A O no hydrogen 3.317 N/A TYR 43.A OH PRO 37.A O no hydrogen 2.628 N/A HIS 47.A ND1 ALA 44.A O no hydrogen 3.072 N/A TYR 48.A N THR 32.A O no hydrogen 2.936 N/A TYR 48.A OH GLN 46.A OE1 no hydrogen 2.590 N/A TYR 48.A OH GLU 69.A OE1 no hydrogen 2.908 N/A VAL 50.A N ASP 34.A O no hydrogen 2.956 N/A LYS 52.A N GLU 55.A OE2 no hydrogen 2.867 N/A GLU 55.A N LYS 52.A O no hydrogen 3.085 N/A GLU 57.A N GLU 57.A OE1 no hydrogen 2.895 N/A TYR 58.A N GLU 55.A O no hydrogen 3.207 N/A TYR 58.A OH GLU 81.A OE2 no hydrogen 2.569 N/A HIS 61.A N GLU 57.A O no hydrogen 2.976 N/A LEU 62.A N TYR 58.A O no hydrogen 2.942 N/A LEU 63.A N ILE 59.A O no hydrogen 2.938 N/A THR 64.A N ASP 60.A O no hydrogen 3.143 N/A THR 64.A OG1 ASP 60.A O no hydrogen 2.954 N/A LEU 65.A N HIS 61.A O no hydrogen 2.904 N/A CYS 66.A N LEU 62.A O no hydrogen 2.919 N/A CYS 66.A SG LEU 62.A O no hydrogen 3.156 N/A GLN 67.A N LEU 63.A O no hydrogen 3.139 N/A ASP 68.A N THR 64.A O no hydrogen 2.976 N/A GLU 69.A N LEU 65.A O no hydrogen 2.879 N/A VAL 71.A N CYS 66.A O no hydrogen 2.921 N/A THR 72.A N HIS 5.A O no hydrogen 2.864 N/A THR 72.A OG1 HIS 5.A O no hydrogen 3.280 N/A ALA 73.A N HIS 5.A O no hydrogen 3.055 N/A LEU 74.A N THR 98.A O no hydrogen 2.928 N/A LEU 75.A N LEU 7.A O no hydrogen 3.044 N/A THR 76.A OG1 GLU 81.A OE1 no hydrogen 2.586 N/A LEU 77.A N THR 9.A O no hydrogen 3.381 N/A ILE 78.A N THR 76.A OG1 no hydrogen 3.169 N/A LEU 82.A N ASP 79.A O no hydrogen 3.172 N/A LEU 85.A N GLU 81.A O no hydrogen 2.985 N/A ALA 86.A N LEU 82.A O no hydrogen 2.917 N/A GLN 87.A N GLY 83.A O no hydrogen 2.893 N/A ALA 88.A N LEU 84.A O no hydrogen 3.288 N/A THR 89.A N ALA 86.A O no hydrogen 3.338 N/A THR 89.A OG1.A ALA 86.A O no hydrogen 3.209 N/A THR 89.A OG1.B LEU 85.A O no hydrogen 3.228 N/A THR 89.A OG1.B ALA 86.A O no hydrogen 2.730 N/A ARG 91.A N ALA 88.A O no hydrogen 2.908 N/A ARG 91.A NH2 ASP 60.A OD1 no hydrogen 2.790 N/A PHE 92.A N ALA 88.A O no hydrogen 3.254 N/A GLN 93.A N THR 89.A O no hydrogen 2.798 N/A ALA 94.A N GLU 90.A O no hydrogen 2.923 N/A ILE 95.A N PHE 92.A O no hydrogen 3.059 N/A GLY 96.A N GLN 93.A O no hydrogen 3.092 N/A VAL 97.A N PHE 92.A O no hydrogen 2.774 N/A THR 98.A N THR 72.A O no hydrogen 3.075 N/A ILE 100.A N LEU 74.A O no hydrogen 2.715 N/A SER 102.A OG VAL 221.A O no hydrogen 3.361 N/A CYS 107.A N PRO 103.A O no hydrogen 2.995 N/A CYS 107.A SG SER 102.A O no hydrogen 3.239 N/A CYS 107.A SG PRO 103.A O no hydrogen 3.483 N/A GLU 108.A N TYR 104.A O no hydrogen 2.872 N/A LEU 109.A N ALA 105.A O no hydrogen 2.874 N/A CYS 110.A N ALA 106.A O no hydrogen 3.015 N/A CYS 110.A SG ALA 106.A O no hydrogen 3.313 N/A PHE 111.A N CYS 107.A O no hydrogen 2.875 N/A ASP 112.A N GLU 108.A O no hydrogen 3.285 N/A LYS 113.A N ARG 153.A O no hydrogen 2.832 N/A TYR 114.A N ASP 112.A OD1 no hydrogen 2.732 N/A THR 115.A N ASP 112.A OD1 no hydrogen 2.982 N/A THR 115.A OG1.B LEU 109.A O no hydrogen 2.747 N/A THR 115.A OG1.B ASP 112.A O no hydrogen 2.859 N/A GLU 117.A N TYR 114.A O no hydrogen 2.995 N/A TYR 118.A N THR 115.A O no hydrogen 2.883 N/A LEU 120.A N TYR 116.A O no hydrogen 2.991 N/A ARG 121.A N GLU 117.A O no hydrogen 3.062 N/A GLN 122.A N TYR 118.A O no hydrogen 2.901 N/A ILE 124.A N CYS 119.A O no hydrogen 2.965 N/A HIS 126.A ND1 ALA 127.A O no hydrogen 2.747 N/A ARG 128.A N GLU 161.A OE1 no hydrogen 3.232 N/A THR 129.A OG1 ALA 127.A O no hydrogen 2.671 N/A THR 129.A OG1 GLN 160.A OE1 no hydrogen 3.418 N/A TYR 130.A N VAL 159.A O no hydrogen 2.855 N/A SER 134.A OG THR 132.A O no hydrogen 3.145 N/A GLU 137.A N ALA 133.A O no hydrogen 2.870 N/A ALA 138.A N SER 134.A O no hydrogen 2.967 N/A LEU 139.A N PHE 135.A O no hydrogen 2.970 N/A ALA 140.A N GLU 136.A O no hydrogen 2.827 N/A ALA 141.A N GLU 137.A O no hydrogen 2.839 N/A GLY 142.A N LEU 139.A O no hydrogen 3.131 N/A GLU 143.A N ALA 138.A O no hydrogen 2.752 N/A VAL 144.A N ALA 138.A O no hydrogen 3.361 N/A PHE 149.A N GLN 160.A O no hydrogen 3.258 N/A LYS 151.A N ILE 158.A O no hydrogen 2.976 N/A ARG 153.A N ASP 156.A O no hydrogen 3.332 N/A ARG 153.A NE ASP 112.A OD1 no hydrogen 3.243 N/A ARG 153.A NE ASP 112.A OD2 no hydrogen 3.096 N/A ARG 153.A NH2 ASP 112.A OD2 no hydrogen 3.345 N/A GLY 155.A N PHE 111.A O no hydrogen 2.720 N/A ILE 158.A N LYS 151.A O no hydrogen 2.950 N/A VAL 159.A N TYR 130.A O no hydrogen 3.172 N/A GLN 160.A N PHE 149.A O no hydrogen 2.952 N/A GLU 161.A N ARG 128.A O no hydrogen 2.911 N/A GLN 166.A N ASP 230.A O no hydrogen 2.847 N/A GLN 166.A NE2 GLU 167.A O no hydrogen 2.857 N/A GLN 166.A NE2 LYS 189.A O no hydrogen 3.128 N/A LEU 168.A N LEU 228.A O no hydrogen 2.791 N/A GLY 169.A N LYS 187.A O no hydrogen 2.907 N/A VAL 170.A N PHE 226.A O no hydrogen 2.818 N/A ASP 171.A N PHE 185.A O no hydrogen 2.794 N/A ALA 172.A N LEU 224.A O no hydrogen 2.890 N/A TYR 173.A N SER 183.A O no hydrogen 2.934 N/A TYR 173.A OH ASN 265.A OD1 no hydrogen 2.643 N/A VAL 174.A N GLY 222.A O no hydrogen 2.978 N/A ASP 175.A N LYS 180.A O no hydrogen 2.895 N/A LEU 176.A N ASN 265.A OD1 no hydrogen 3.011 N/A ILE 177.A N ASP 175.A OD2 no hydrogen 3.021 N/A SER 178.A N ASP 175.A OD2 no hydrogen 2.818 N/A SER 178.A OG ASP 175.A OD2 no hydrogen 3.212 N/A GLY 179.A N ASP 175.A O no hydrogen 3.028 N/A LYS 180.A N SER 178.A OG no hydrogen 3.171 N/A THR 182.A N TYR 173.A O no hydrogen 3.036 N/A THR 182.A OG1 TYR 173.A O no hydrogen 3.305 N/A THR 182.A OG1 GLN 261.A OE1 no hydrogen 2.581 N/A PHE 185.A N ASP 171.A O no hydrogen 2.755 N/A ILE 186.A N TYR 277.A OH no hydrogen 3.063 N/A LYS 187.A N GLY 169.A O no hydrogen 3.195 N/A LYS 187.A NZ GLY 169.A O no hydrogen 2.630 N/A LYS 187.A NZ ASP 171.A OD2 no hydrogen 2.802 N/A GLU 188.A N ARG 200.A O no hydrogen 2.764 N/A LYS 189.A N GLU 167.A O no hydrogen 2.872 N/A LYS 189.A NZ GLU 167.A OE2 no hydrogen 3.212 N/A LYS 189.A NZ ASP 227.A OD1 no hydrogen 2.858 N/A LEU 190.A N LYS 198.A O no hydrogen 2.865 N/A THR 191.A N LYS 198.A O no hydrogen 3.289 N/A GLU 195.A N ARG 192.A O no hydrogen 2.877 N/A ASP 197.A N THR 191.A O no hydrogen 2.928 N/A LYS 198.A N THR 191.A O no hydrogen 3.260 N/A SER 199.A OG HIS 250.A ND1 no hydrogen 2.731 N/A ARG 200.A N GLU 188.A O no hydrogen 3.112 N/A ARG 200.A NE GLU 188.A OE1 no hydrogen 2.881 N/A ARG 200.A NH1 ASP 280.A OD1 no hydrogen 3.228 N/A ARG 200.A NH2 GLU 188.A OE1 no hydrogen 3.226 N/A ARG 200.A NH2 GLU 188.A OE2 no hydrogen 3.117 N/A SER 201.A N ILE 281.A O no hydrogen 2.839 N/A SER 201.A OG LEU 278.A O no hydrogen 2.831 N/A SER 201.A OG ILE 281.A O no hydrogen 3.315 N/A VAL 202.A N ILE 186.A O no hydrogen 2.927 N/A ARG 204.A NE ASP 206.A OD1 no hydrogen 3.144 N/A ARG 204.A NH1 ASP 230.A OD2 no hydrogen 3.352 N/A ARG 204.A NH2 ASP 206.A OD2 no hydrogen 3.160 N/A ARG 204.A NH2 ASP 230.A OD2 no hydrogen 3.434 N/A PHE 208.A N ARG 204.A O no hydrogen 3.086 N/A GLU 209.A N ASP 205.A O no hydrogen 2.827 N/A LEU 210.A N ASP 206.A O no hydrogen 2.900 N/A VAL 211.A N VAL 207.A O no hydrogen 2.915 N/A GLU 212.A N PHE 208.A O no hydrogen 2.928 N/A HIS 213.A N GLU 209.A O no hydrogen 2.891 N/A VAL 214.A N LEU 210.A O no hydrogen 2.921 N/A LEU 215.A N VAL 211.A O no hydrogen 2.885 N/A ASP 216.A N GLU 212.A O no hydrogen 2.791 N/A SER 218.A N LEU 215.A O no hydrogen 2.925 N/A SER 218.A OG LEU 215.A O no hydrogen 2.758 N/A LEU 220.A N SER 218.A OG no hydrogen 3.092 N/A VAL 221.A N SER 102.A OG no hydrogen 2.976 N/A GLY 222.A N VAL 174.A O no hydrogen 2.747 N/A LEU 224.A N ALA 172.A O no hydrogen 2.699 N/A ASP 225.A N ASN 241.A O no hydrogen 3.000 N/A PHE 226.A N VAL 170.A O no hydrogen 2.784 N/A ASP 227.A N GLU 239.A O no hydrogen 2.810 N/A LEU 228.A N LEU 168.A O no hydrogen 2.807 N/A PHE 229.A N TYR 236.A O no hydrogen 2.885 N/A ASP 230.A N GLN 166.A O no hydrogen 2.803 N/A VAL 231.A N THR 234.A O no hydrogen 2.940 N/A THR 234.A N VAL 231.A O no hydrogen 3.296 N/A THR 234.A OG1.A VAL 231.A O no hydrogen 2.695 N/A TYR 236.A N PHE 229.A O no hydrogen 2.785 N/A LEU 237.A N ALA 125.A O no hydrogen 2.849 N/A SER 238.A N ASP 227.A O no hydrogen 2.839 N/A SER 238.A OG ASP 227.A OD2 no hydrogen 3.424 N/A GLU 239.A N ASP 227.A O no hydrogen 3.156 N/A ASN 241.A N ASP 225.A O no hydrogen 2.753 N/A ASN 241.A ND2 ASP 225.A OD2 no hydrogen 2.937 N/A ASN 241.A ND2 GLU 239.A OE1 no hydrogen 2.898 N/A ARG 243.A N ASN 241.A O no hydrogen 2.661 N/A ARG 243.A NE ASP 79.A OD1 no hydrogen 3.140 N/A ARG 243.A NH1 PHE 244.A O no hydrogen 2.960 N/A ARG 243.A NH2 ASP 79.A OD2 no hydrogen 3.113 N/A TYR 248.A N GLY 245.A O no hydrogen 3.061 N/A TYR 248.A OH VAL 256.A O no hydrogen 2.638 N/A HIS 250.A N GLY 247.A O no hydrogen 3.024 N/A HIS 250.A ND1 SER 199.A OG no hydrogen 2.731 N/A HIS 250.A NE2 ILE 281.A O no hydrogen 2.788 N/A TYR 252.A N TYR 248.A O no hydrogen 3.008 N/A TYR 252.A OH GLU 24.A OE2 no hydrogen 2.616 N/A GLU 253.A N PRO 249.A O no hydrogen 2.974 N/A CYS 254.A N HIS 250.A O no hydrogen 3.029 N/A CYS 254.A SG HIS 250.A O no hydrogen 3.538 N/A GLY 255.A N TYR 252.A O no hydrogen 2.921 N/A VAL 256.A N ALA 251.A O no hydrogen 2.982 N/A ASN 257.A ND2 GLU 24.A OE2 no hydrogen 2.982 N/A PHE 258.A N TYR 248.A OH no hydrogen 2.680 N/A ALA 260.A N ASN 257.A OD1 no hydrogen 2.965 N/A GLN 261.A N ASN 257.A O no hydrogen 3.151 N/A GLN 261.A NE2 SER 183.A OG no hydrogen 2.886 N/A GLN 261.A NE2 ASN 257.A O no hydrogen 3.693 N/A LEU 262.A N PHE 258.A O no hydrogen 2.716 N/A TYR 263.A N PRO 259.A O no hydrogen 2.853 N/A TYR 263.A OH THR 27.A OG1 no hydrogen 2.521 N/A ARG 264.A N ALA 260.A O no hydrogen 2.873 N/A ARG 264.A NE ASN 270.A OD1 no hydrogen 3.141 N/A ASN 265.A N GLN 261.A O no hydrogen 2.898 N/A ASN 265.A ND2 ASP 175.A OD1 no hydrogen 2.787 N/A ASN 265.A ND2 GLU 268.A O no hydrogen 2.799 N/A LEU 266.A N LEU 262.A O no hydrogen 2.938 N/A GLU 268.A N ARG 264.A O no hydrogen 2.831 N/A ASN 270.A N ASP 175.A OD1 no hydrogen 2.836 N/A ASN 270.A ND2 ASP 175.A OD1 no hydrogen 2.824 N/A ASN 270.A ND2 GLN 261.A O no hydrogen 3.124 N/A GLN 273.A N THR 182.A O no hydrogen 2.916 N/A TYR 277.A OH VAL 202.A O no hydrogen 2.603 N/A ASP 280.A N SER 201.A O no hydrogen 2.852 N/A ILE 281.A N SER 201.A OG no hydrogen 2.986 N/A LYS 284.A N ASP 197.A O no hydrogen 2.970 N/A LYS 284.A NZ THR 196.A O no hydrogen 2.770 N/A LYS 284.A NZ GLY 246.A O no hydrogen 2.750 N/A VAL 288.A N THR 287.A OG1 no hydrogen 2.780 N/A GLU 295.A N SER 292.A OG no hydrogen 2.983 N/A LEU 296.A N SER 292.A O no hydrogen 2.845 N/A GLN 297.A N ALA 293.A O no hydrogen 2.848 N/A LYS 298.A N GLU 295.A O no hydrogen 3.360 N/A LYS 298.A NZ GLU 295.A OE2 no hydrogen 3.067 N/A