Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1npe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 LEU 17.A O no hydrogen 3.095 N/A HIS 3.A N ALA 259.A O no hydrogen 2.977 N/A LEU 4.A N LEU 15.A O no hydrogen 2.725 N/A LEU 5.A N THR 257.A O no hydrogen 2.883 N/A PHE 6.A N GLU 13.A O no hydrogen 3.074 N/A ALA 7.A N GLY 255.A O no hydrogen 2.838 N/A GLN 8.A N LYS 11.A O no hydrogen 3.153 N/A GLN 8.A NE2 LYS 249.A O no hydrogen 2.955 N/A GLN 8.A NE2 THR 251.A O no hydrogen 3.509 N/A GLY 10.A N LYS 36.A O no hydrogen 2.715 N/A LYS 11.A N GLN 8.A O no hydrogen 3.258 N/A LYS 11.A NZ GLU 13.A OE1 no hydrogen 2.932 N/A ILE 12.A N LEU 31.A O no hydrogen 3.040 N/A GLU 13.A N PHE 6.A O no hydrogen 2.741 N/A ARG 14.A N LYS 28.A O no hydrogen 2.957 N/A LEU 15.A N LEU 4.A O no hydrogen 2.977 N/A LEU 17.A N THR 2.A O no hydrogen 2.990 N/A GLU 18.A N THR 21.A O no hydrogen 3.049 N/A ARG 19.A NH2 TYR 217.A OH no hydrogen 3.296 N/A THR 21.A OG1 ARG 19.A O no hydrogen 3.302 N/A LYS 23.A N PRO 16.A O no hydrogen 3.001 N/A LYS 24.A NZ ASP 243.A OD2 no hydrogen 2.841 N/A LYS 24.A NZ THR 244.A O no hydrogen 3.217 N/A GLU 26.A N LYS 23.A O no hydrogen 3.027 N/A ALA 27.A N LYS 24.A O no hydrogen 3.365 N/A LYS 28.A N ARG 14.A O no hydrogen 2.927 N/A PHE 30.A N ILE 12.A O no hydrogen 2.873 N/A LEU 31.A N ILE 12.A O no hydrogen 3.324 N/A ILE 33.A N GLY 10.A O no hydrogen 3.008 N/A LYS 36.A N ILE 33.A O no hydrogen 2.951 N/A LYS 36.A NZ ASP 54.A OD1 no hydrogen 3.473 N/A LYS 36.A NZ SER 59.A OG no hydrogen 3.242 N/A VAL 37.A N ASP 54.A OD2 no hydrogen 3.067 N/A ILE 39.A N THR 53.A O no hydrogen 2.863 N/A GLY 40.A N THR 53.A OG1 no hydrogen 2.830 N/A ALA 42.A N TYR 51.A O no hydrogen 2.906 N/A ASP 44.A N VAL 49.A O no hydrogen 2.785 N/A VAL 46.A N ASP 44.A OD1 no hydrogen 3.220 N/A LYS 48.A NZ CYS 45.A O no hydrogen 2.770 N/A LYS 48.A NZ SER 261.A O no hydrogen 2.974 N/A VAL 49.A N ASP 44.A O no hydrogen 3.209 N/A VAL 50.A N ALA 63.A O no hydrogen 2.936 N/A TYR 51.A N ALA 42.A O no hydrogen 2.832 N/A TRP 52.A N GLY 61.A O no hydrogen 2.963 N/A THR 53.A N GLY 40.A O no hydrogen 3.050 N/A THR 53.A OG1 PRO 81.A O no hydrogen 2.872 N/A ASP 54.A N SER 59.A O no hydrogen 2.604 N/A ILE 55.A N VAL 37.A O no hydrogen 3.313 N/A SER 56.A N ASP 54.A OD2 no hydrogen 2.924 N/A SER 56.A OG ALA 35.A O no hydrogen 3.107 N/A GLU 57.A N ASP 54.A OD1 no hydrogen 3.051 N/A SER 59.A N ASP 54.A O no hydrogen 2.733 N/A SER 59.A OG ASP 54.A OD1 no hydrogen 3.262 N/A ILE 60.A N ILE 74.A O no hydrogen 3.080 N/A GLY 61.A N TRP 52.A O no hydrogen 2.982 N/A ARG 62.A N THR 71.A O no hydrogen 2.863 N/A ARG 62.A NH1 TYR 51.A OH no hydrogen 3.085 N/A ALA 63.A N VAL 50.A O no hydrogen 3.083 N/A LEU 65.A N LYS 48.A O no hydrogen 2.938 N/A GLY 68.A N HIS 66.A O no hydrogen 3.044 N/A THR 71.A N ARG 62.A O no hydrogen 2.930 N/A THR 71.A OG1 ARG 62.A O no hydrogen 3.209 N/A ILE 73.A N ILE 60.A O no hydrogen 2.875 N/A ILE 74.A N ILE 60.A O no hydrogen 3.265 N/A ARG 75.A NH1 GLU 57.A OE2 no hydrogen 2.781 N/A GLY 79.A N ASP 97.A OD2 no hydrogen 2.786 N/A SER 80.A N ASP 97.A OD1 no hydrogen 2.920 N/A SER 80.A OG GLU 82.A OE2 no hydrogen 2.854 N/A GLU 82.A N THR 96.A O no hydrogen 3.170 N/A ALA 85.A N PHE 94.A O no hydrogen 2.820 N/A ASP 87.A N THR 92.A O no hydrogen 2.805 N/A LEU 89.A N ASP 87.A OD1 no hydrogen 3.189 N/A GLY 90.A N ASP 87.A OD1 no hydrogen 2.915 N/A ARG 91.A NE HIS 88.A O no hydrogen 3.011 N/A ARG 91.A NH1 ASP 44.A OD2 no hydrogen 3.289 N/A ARG 91.A NH2 ASP 44.A OD1 no hydrogen 2.665 N/A ARG 91.A NH2 ASP 44.A OD2 no hydrogen 3.470 N/A ARG 91.A NH2 HIS 88.A O no hydrogen 2.786 N/A THR 92.A N ASP 87.A O no hydrogen 3.111 N/A ILE 93.A N ALA 106.A O no hydrogen 2.755 N/A PHE 94.A N ALA 85.A O no hydrogen 2.730 N/A TRP 95.A N GLU 104.A O no hydrogen 3.034 N/A THR 96.A N GLY 83.A O no hydrogen 3.043 N/A THR 96.A OG1 ARG 125.A O no hydrogen 2.760 N/A ASP 97.A N ARG 102.A O no hydrogen 2.904 N/A SER 98.A N SER 80.A O no hydrogen 3.223 N/A SER 98.A OG GLU 82.A OE2 no hydrogen 2.567 N/A GLN 99.A N ASP 97.A OD1 no hydrogen 2.911 N/A LEU 100.A N ASP 97.A OD1 no hydrogen 2.834 N/A ARG 102.A N ASP 97.A O no hydrogen 3.038 N/A ARG 102.A NE GLU 104.A OE2 no hydrogen 2.867 N/A ARG 102.A NH2 ASP 77.A OD2 no hydrogen 2.727 N/A ARG 102.A NH2 GLU 104.A OE2 no hydrogen 2.920 N/A ILE 103.A N PHE 117.A O no hydrogen 2.903 N/A GLU 104.A N TRP 95.A O no hydrogen 3.142 N/A VAL 105.A N ARG 114.A O no hydrogen 2.931 N/A ALA 106.A N ILE 93.A O no hydrogen 3.036 N/A LYS 107.A N THR 111.A O no hydrogen 2.964 N/A MET 108.A N ARG 91.A O no hydrogen 3.282 N/A GLY 110.A N LYS 107.A O no hydrogen 2.760 N/A THR 111.A N ASP 109.A OD1 no hydrogen 3.086 N/A THR 111.A OG1 ASP 109.A OD1 no hydrogen 2.792 N/A ARG 113.A NH1 ASP 77.A O no hydrogen 3.303 N/A ARG 113.A NH1 GLU 104.A OE1 no hydrogen 3.105 N/A ARG 113.A NH2 GLN 76.A O no hydrogen 2.376 N/A ARG 113.A NH2 ASP 77.A O no hydrogen 3.569 N/A ARG 114.A N VAL 105.A O no hydrogen 2.966 N/A LEU 116.A N ILE 103.A O no hydrogen 2.823 N/A PHE 117.A N ILE 103.A O no hydrogen 3.151 N/A VAL 122.A N ASP 140.A OD2 no hydrogen 3.030 N/A ASN 123.A N ASP 140.A OD1 no hydrogen 2.806 N/A ARG 125.A N THR 139.A O no hydrogen 3.000 N/A ARG 125.A NE GLU 82.A OE1 no hydrogen 2.820 N/A ARG 125.A NH1 ASN 170.A OD1 no hydrogen 2.857 N/A ARG 125.A NH2 GLU 82.A OE1 no hydrogen 2.897 N/A GLY 126.A N THR 139.A OG1 no hydrogen 3.101 N/A VAL 128.A N TYR 137.A O no hydrogen 2.898 N/A THR 129.A OG1 LEU 86.A O no hydrogen 2.430 N/A ASP 130.A N ASN 135.A O no hydrogen 2.999 N/A ARG 133.A N ASP 130.A O no hydrogen 3.109 N/A ARG 133.A NH1 ASP 130.A OD1 no hydrogen 2.781 N/A ASN 135.A N ASP 130.A O no hydrogen 3.369 N/A LEU 136.A N SER 151.A O no hydrogen 2.748 N/A TYR 137.A N VAL 128.A O no hydrogen 2.997 N/A TRP 138.A N GLU 149.A O no hydrogen 2.927 N/A TRP 138.A NE1 GLU 149.A OE2 no hydrogen 3.154 N/A THR 139.A N GLY 126.A O no hydrogen 2.889 N/A THR 139.A OG1 PRO 169.A O no hydrogen 2.854 N/A ASP 140.A N LYS 147.A O no hydrogen 2.986 N/A TRP 141.A N ASN 123.A O no hydrogen 3.032 N/A ASN 142.A N ASP 140.A OD1 no hydrogen 3.041 N/A LYS 147.A N ASP 140.A O no hydrogen 3.017 N/A LYS 147.A NZ GLY 120.A O no hydrogen 2.973 N/A LYS 147.A NZ GLU 149.A OE2 no hydrogen 3.318 N/A ILE 148.A N ALA 162.A O no hydrogen 3.017 N/A GLU 149.A N TRP 138.A O no hydrogen 2.847 N/A THR 150.A N ARG 159.A O no hydrogen 2.955 N/A THR 150.A OG1 LEU 136.A O no hydrogen 2.876 N/A SER 151.A N LEU 136.A O no hydrogen 2.929 N/A SER 151.A OG HIS 152.A O no hydrogen 2.872 N/A HIS 152.A N THR 156.A O no hydrogen 2.852 N/A HIS 152.A ND1 THR 156.A OG1 no hydrogen 2.745 N/A MET 153.A N GLY 134.A O no hydrogen 2.911 N/A GLY 155.A N HIS 152.A O no hydrogen 3.123 N/A THR 156.A N ASP 154.A OD1 no hydrogen 2.895 N/A THR 156.A OG1 ASP 154.A OD1 no hydrogen 2.882 N/A THR 156.A OG1 ASN 157.A OD1 no hydrogen 2.779 N/A ARG 158.A NE GLU 149.A OE1 no hydrogen 2.854 N/A ARG 158.A NH1 THR 119.A O no hydrogen 2.904 N/A ARG 158.A NH2 THR 119.A O no hydrogen 3.279 N/A ARG 158.A NH2 GLU 149.A OE1 no hydrogen 3.334 N/A ARG 158.A NH2 GLU 149.A OE2 no hydrogen 2.764 N/A ARG 159.A N THR 150.A O no hydrogen 2.914 N/A LEU 161.A N ILE 148.A O no hydrogen 2.780 N/A ALA 162.A N ILE 148.A O no hydrogen 3.320 N/A GLY 167.A N ASP 185.A OD2 no hydrogen 2.830 N/A LEU 168.A N ASP 185.A OD1 no hydrogen 2.630 N/A ASN 170.A N VAL 184.A O no hydrogen 3.141 N/A ASN 170.A ND2 PRO 211.A O no hydrogen 3.064 N/A THR 173.A N CYS 182.A O no hydrogen 2.673 N/A THR 173.A OG1 SER 216.A OG no hydrogen 3.132 N/A ASP 175.A N GLN 180.A O no hydrogen 2.911 N/A SER 178.A N ASP 175.A OD1 no hydrogen 3.224 N/A SER 178.A OG ASP 175.A OD1 no hydrogen 2.764 N/A GLN 180.A N ASP 175.A O no hydrogen 3.199 N/A GLN 180.A NE2 SER 178.A O no hydrogen 3.004 N/A GLN 180.A NE2 SER 179.A O no hydrogen 3.288 N/A LEU 181.A N LEU 194.A O no hydrogen 2.732 N/A CYS 182.A N THR 173.A O no hydrogen 2.875 N/A TRP 183.A N GLU 192.A O no hydrogen 2.778 N/A VAL 184.A N GLY 171.A O no hydrogen 2.986 N/A ASP 185.A N ARG 190.A O no hydrogen 2.707 N/A ALA 186.A N LEU 168.A O no hydrogen 2.920 N/A GLY 187.A N ASP 185.A OD1 no hydrogen 2.718 N/A THR 188.A N ASP 185.A OD1 no hydrogen 2.978 N/A HIS 189.A ND1 GLN 209.A O no hydrogen 2.935 N/A ARG 190.A N ASP 185.A O no hydrogen 3.162 N/A ARG 190.A NH1 GLU 206.A OE1 no hydrogen 2.863 N/A ALA 191.A N LEU 205.A O no hydrogen 2.962 N/A GLU 192.A N TRP 183.A O no hydrogen 2.924 N/A CYS 193.A N LYS 203.A O no hydrogen 3.000 N/A LEU 194.A N LEU 181.A O no hydrogen 2.806 N/A ALA 197.A N ASN 195.A OD1 no hydrogen 2.811 N/A GLN 198.A N ASN 195.A O no hydrogen 2.886 N/A ARG 201.A N GLN 198.A O no hydrogen 3.461 N/A ARG 202.A NH1 ASP 164.A O no hydrogen 3.249 N/A ARG 202.A NH1 GLU 192.A OE1 no hydrogen 3.275 N/A ARG 202.A NH1 GLU 192.A OE2 no hydrogen 3.396 N/A ARG 202.A NH2 ASP 164.A O no hydrogen 2.718 N/A LYS 203.A N CYS 193.A O no hydrogen 2.941 N/A LEU 205.A N ALA 191.A O no hydrogen 2.879 N/A LEU 208.A N HIS 189.A O no hydrogen 3.029 N/A TYR 210.A N ASP 225.A OD2 no hydrogen 2.677 N/A PHE 212.A N THR 224.A O no hydrogen 2.780 N/A ALA 213.A N THR 224.A OG1 no hydrogen 3.114 N/A THR 215.A N TYR 222.A O no hydrogen 2.960 N/A SER 216.A OG THR 173.A OG1 no hydrogen 3.132 N/A TYR 217.A N ASN 220.A O no hydrogen 3.097 N/A ASN 220.A N TYR 217.A O no hydrogen 3.340 N/A LEU 221.A N MET 234.A O no hydrogen 2.609 N/A TYR 222.A N THR 215.A O no hydrogen 2.933 N/A TYR 223.A N ILE 232.A O no hydrogen 2.912 N/A THR 224.A N ALA 213.A O no hydrogen 2.963 N/A THR 224.A OG1 TYR 254.A O no hydrogen 2.777 N/A ASP 225.A N SER 230.A O no hydrogen 3.071 N/A TRP 226.A N TYR 210.A O no hydrogen 2.876 N/A TRP 226.A NE1 LEU 253.A O no hydrogen 2.914 N/A THR 228.A N ASP 225.A OD1 no hydrogen 2.783 N/A THR 228.A OG1 SER 230.A OG no hydrogen 3.022 N/A SER 230.A OG THR 228.A OG1 no hydrogen 3.022 N/A VAL 231.A N PHE 245.A O no hydrogen 2.973 N/A ILE 232.A N TYR 223.A O no hydrogen 2.802 N/A ALA 233.A N ASP 243.A O no hydrogen 2.888 N/A MET 234.A N LEU 221.A O no hydrogen 2.712 N/A ASP 235.A N LYS 240.A O no hydrogen 3.072 N/A LEU 236.A N LYS 219.A O no hydrogen 3.039 N/A SER 239.A N LEU 236.A O no hydrogen 3.261 N/A SER 239.A OG LEU 236.A O no hydrogen 3.226 N/A SER 239.A OG ALA 237.A O no hydrogen 3.389 N/A MET 242.A N ALA 233.A O no hydrogen 2.814 N/A ASP 243.A N ALA 233.A O no hydrogen 3.387 N/A THR 244.A N ASP 243.A OD2 no hydrogen 2.687 N/A PHE 245.A N VAL 231.A O no hydrogen 2.907 N/A THR 251.A N LYS 249.A O no hydrogen 2.836 N/A TYR 254.A N ALA 7.A O no hydrogen 2.662 N/A GLY 255.A N ILE 39.A O no hydrogen 2.717 N/A THR 257.A N LEU 5.A O no hydrogen 2.856 N/A ALA 259.A N HIS 3.A O no hydrogen 2.711 N/A CYS 263.A SG HIS 88.A ND1 no hydrogen 3.683 N/A