Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8ude_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N ILE 63.A O no hydrogen 2.703 N/A LEU 4.A N GLU 28.A O no hydrogen 2.966 N/A GLY 5.A N TYR 61.A O no hydrogen 2.902 N/A TYR 6.A N LYS 30.A O no hydrogen 3.032 N/A ARG 10.A N PRO 211.A O no hydrogen 2.768 N/A ARG 10.A NE ASP 14.A OD1 no hydrogen 2.919 N/A ARG 10.A NH1 ASP 169.A OD2 no hydrogen 2.909 N/A ARG 10.A NH2 ASP 14.A OD2 no hydrogen 2.833 N/A ARG 10.A NH2 ASP 169.A OD2 no hydrogen 2.904 N/A GLY 11.A N ILE 212.A O no hydrogen 2.915 N/A LEU 12.A N TYR 6.A OH no hydrogen 2.794 N/A CYS 13.A N ARG 10.A O no hydrogen 3.248 N/A ARG 17.A N CYS 13.A O no hydrogen 3.126 N/A ARG 17.A NE TYR 27.A OH no hydrogen 3.064 N/A ARG 17.A NH1 TYR 27.A OH no hydrogen 3.313 N/A LEU 18.A N ASP 14.A O no hydrogen 2.970 N/A LEU 19.A N PRO 15.A O no hydrogen 2.922 N/A LEU 20.A N ILE 16.A O no hydrogen 2.964 N/A ALA 21.A N ARG 17.A O no hydrogen 2.801 N/A HIS 22.A N LEU 18.A O no hydrogen 2.878 N/A THR 23.A N LEU 19.A O no hydrogen 3.054 N/A THR 23.A OG1 LEU 19.A O no hydrogen 3.187 N/A THR 23.A OG1 LEU 20.A O no hydrogen 3.149 N/A GLY 24.A N ALA 21.A O no hydrogen 3.354 N/A GLN 25.A N LEU 20.A O no hydrogen 3.287 N/A GLN 25.A N THR 23.A OG1 no hydrogen 3.335 N/A GLN 25.A NE2 GLU 26.A O no hydrogen 3.468 N/A GLN 25.A NE2 TYR 62.A OH no hydrogen 3.122 N/A GLU 28.A N PRO 2.A O no hydrogen 2.951 N/A LYS 30.A N LEU 4.A O no hydrogen 2.746 N/A TYR 32.A N TYR 6.A O no hydrogen 2.965 N/A TYR 32.A OH GLU 48.A OE1 no hydrogen 2.389 N/A TYR 32.A OH TYR 61.A OH no hydrogen 2.705 N/A SER 33.A N GLU 44.A OE1 no hydrogen 2.965 N/A SER 33.A OG GLU 44.A OE1 no hydrogen 3.122 N/A GLY 35.A N ASP 41.A O no hydrogen 2.704 N/A TYR 40.A N PRO 36.A O no hydrogen 2.964 N/A SER 43.A N ASP 41.A OD2 no hydrogen 3.019 N/A SER 43.A OG ASP 41.A OD2 no hydrogen 3.019 N/A TRP 45.A N ILE 42.A O no hydrogen 3.132 N/A LEU 46.A N ILE 42.A O no hydrogen 3.231 N/A ASP 47.A N SER 43.A O no hydrogen 2.986 N/A GLU 48.A N TRP 45.A O no hydrogen 3.026 N/A LYS 49.A N TRP 45.A O no hydrogen 2.753 N/A ASN 51.A N GLU 48.A O no hydrogen 2.786 N/A LEU 59.A N ASN 58.A OD1 no hydrogen 2.872 N/A TYR 61.A N GLY 5.A O no hydrogen 3.094 N/A TYR 61.A OH TYR 32.A OH no hydrogen 2.705 N/A TYR 62.A N ILE 71.A O no hydrogen 2.762 N/A ILE 63.A N ILE 3.A O no hydrogen 2.904 N/A ASP 64.A N VAL 69.A O no hydrogen 2.965 N/A GLU 67.A N ASP 64.A OD1 no hydrogen 3.243 N/A GLY 68.A N LYS 65.A O no hydrogen 3.114 N/A VAL 69.A N ASP 64.A O no hydrogen 3.179 N/A LYS 70.A NZ LEU 52.A O no hydrogen 3.340 N/A ILE 71.A N TYR 62.A O no hydrogen 2.828 N/A THR 72.A OG1 PHE 56.A O no hydrogen 2.821 N/A GLN 73.A NE2 THR 72.A OG1 no hydrogen 3.229 N/A ILE 77.A N GLN 73.A O no hydrogen 3.037 N/A ILE 78.A N THR 74.A O no hydrogen 2.837 N/A ARG 79.A N VAL 75.A O no hydrogen 2.944 N/A ARG 79.A NH1 GLU 99.A OE2 no hydrogen 3.300 N/A ARG 79.A NH1 TYR 159.A OH no hydrogen 2.713 N/A ARG 79.A NH2 GLU 99.A OE2 no hydrogen 3.300 N/A TYR 80.A N ALA 76.A O no hydrogen 3.056 N/A LEU 81.A N ILE 77.A O no hydrogen 3.027 N/A ALA 82.A N ILE 78.A O no hydrogen 2.862 N/A ARG 83.A N ARG 79.A O no hydrogen 2.959 N/A LYS 84.A N TYR 80.A O no hydrogen 3.134 N/A HIS 85.A N LEU 81.A O no hydrogen 2.996 N/A HIS 85.A N ALA 82.A O no hydrogen 3.238 N/A HIS 85.A NE2 GLN 25.A OE1 no hydrogen 2.541 N/A GLY 86.A N ARG 83.A O no hydrogen 3.423 N/A LEU 87.A N ALA 82.A O no hydrogen 2.829 N/A GLU 90.A N GLU 94.A OE1 no hydrogen 2.970 N/A GLU 94.A N SER 91.A OG no hydrogen 3.378 N/A THR 95.A N SER 91.A O no hydrogen 3.013 N/A THR 95.A OG1 SER 91.A O no hydrogen 3.282 N/A ILE 96.A N ASP 92.A O no hydrogen 2.889 N/A LYS 97.A N GLU 93.A O no hydrogen 3.309 N/A ILE 98.A N GLU 94.A O no hydrogen 2.869 N/A GLU 99.A N THR 95.A O no hydrogen 2.892 N/A MET 100.A N ILE 96.A O no hydrogen 2.942 N/A VAL 101.A N LYS 97.A O no hydrogen 3.140 N/A GLU 102.A N ILE 98.A O no hydrogen 2.868 N/A GLN 103.A N GLU 99.A O no hydrogen 3.145 N/A GLN 103.A NE2 GLU 102.A OE2 no hydrogen 2.841 N/A GLN 104.A N MET 100.A O no hydrogen 3.190 N/A ALA 105.A N VAL 101.A O no hydrogen 2.843 N/A ILE 106.A N GLU 102.A O no hydrogen 2.933 N/A GLU 107.A N GLN 103.A O no hydrogen 2.980 N/A LEU 108.A N GLN 104.A O no hydrogen 3.086 N/A THR 109.A N ALA 105.A O no hydrogen 2.962 N/A THR 109.A OG1 ALA 105.A O no hydrogen 2.710 N/A LEU 110.A N ILE 106.A O no hydrogen 2.911 N/A THR 111.A N GLU 107.A O no hydrogen 2.967 N/A THR 111.A OG1 GLU 107.A O no hydrogen 3.066 N/A CYS 112.A N LEU 108.A O no hydrogen 3.012 N/A CYS 112.A SG LEU 108.A O no hydrogen 3.397 N/A LYS 113.A N THR 109.A O no hydrogen 2.800 N/A ARG 114.A N LEU 110.A O no hydrogen 3.113 N/A ALA 115.A N THR 111.A O no hydrogen 3.030 N/A PHE 116.A N CYS 112.A O no hydrogen 2.767 N/A TYR 117.A N LYS 113.A O no hydrogen 3.173 N/A SER 118.A N ALA 115.A O no hydrogen 3.057 N/A SER 118.A OG ARG 114.A O no hydrogen 3.053 N/A SER 118.A OG ALA 115.A O no hydrogen 2.871 N/A GLN 123.A N ASP 120.A OD1 no hydrogen 3.215 N/A PHE 124.A N ASP 120.A O no hydrogen 3.029 N/A ASN 125.A N ASP 121.A O no hydrogen 2.738 N/A GLN 126.A N ASP 122.A O no hydrogen 3.154 N/A LEU 127.A N GLN 123.A O no hydrogen 3.157 N/A LYS 128.A N PHE 124.A O no hydrogen 2.791 N/A GLU 129.A N ASN 125.A O no hydrogen 2.877 N/A GLU 130.A N GLN 126.A O no hydrogen 3.179 N/A ILE 131.A N LEU 127.A O no hydrogen 2.864 N/A LEU 132.A N LYS 128.A O no hydrogen 2.891 N/A THR 133.A N GLU 129.A O no hydrogen 3.042 N/A THR 133.A N GLU 130.A O no hydrogen 3.285 N/A THR 133.A OG1 GLU 129.A O no hydrogen 2.585 N/A SER 134.A N GLU 130.A O no hydrogen 2.862 N/A SER 134.A OG GLU 130.A O no hydrogen 2.851 N/A PHE 135.A N ILE 131.A O no hydrogen 2.952 N/A ARG 137.A NE ARG 137.A O no hydrogen 2.979 N/A ARG 137.A NH2 ASP 141.A OD1 no hydrogen 2.630 N/A LEU 139.A N PHE 135.A O no hydrogen 2.877 N/A ILE 140.A N PRO 136.A O no hydrogen 2.952 N/A ASP 141.A N ARG 137.A O no hydrogen 2.935 N/A LEU 142.A N LYS 138.A O no hydrogen 3.051 N/A ALA 143.A N LEU 139.A O no hydrogen 2.869 N/A LYS 144.A N ILE 140.A O no hydrogen 2.851 N/A PHE 145.A N ASP 141.A O no hydrogen 2.980 N/A LEU 146.A N LEU 142.A O no hydrogen 2.905 N/A GLY 147.A N ALA 143.A O no hydrogen 2.918 N/A ASN 149.A N LEU 146.A O no hydrogen 2.995 N/A TYR 151.A N GLY 154.A O no hydrogen 2.881 N/A ILE 152.A N ASP 161.A OD1 no hydrogen 3.092 N/A GLY 154.A N TYR 151.A O no hydrogen 2.850 N/A ARG 156.A NH1 VAL 88.A O no hydrogen 2.932 N/A ARG 156.A NH2 VAL 88.A O no hydrogen 3.110 N/A ARG 156.A NH2 GLU 94.A OE1 no hydrogen 2.629 N/A THR 158.A N ASP 161.A OD2 no hydrogen 2.882 N/A THR 158.A OG1 ASP 161.A OD2 no hydrogen 3.329 N/A TYR 159.A N LEU 87.A O no hydrogen 3.041 N/A TYR 159.A OH GLU 102.A OE1 no hydrogen 2.424 N/A ASP 161.A N THR 158.A O no hydrogen 2.994 N/A PHE 162.A N TYR 159.A O no hydrogen 3.039 N/A MET 163.A N TYR 159.A O no hydrogen 3.371 N/A LEU 164.A N VAL 160.A O no hydrogen 2.798 N/A TRP 165.A N ASP 161.A O no hydrogen 2.852 N/A TRP 165.A NE1 LEU 189.A O no hydrogen 3.087 N/A SER 166.A N PHE 162.A O no hydrogen 3.081 N/A SER 166.A OG ASP 14.A OD2 no hydrogen 2.738 N/A ILE 167.A N MET 163.A O no hydrogen 3.290 N/A LEU 168.A N LEU 164.A O no hydrogen 2.912 N/A ASP 169.A N TRP 165.A O no hydrogen 2.802 N/A TYR 170.A N SER 166.A O no hydrogen 3.022 N/A TYR 170.A OH GLY 11.A O no hydrogen 2.505 N/A LEU 171.A N ILE 167.A O no hydrogen 2.995 N/A ARG 172.A N LEU 168.A O no hydrogen 2.910 N/A ARG 172.A NE ASP 169.A OD1 no hydrogen 2.905 N/A ARG 172.A NH1 ASP 169.A OD1 no hydrogen 2.662 N/A ARG 172.A NH1 GLU 193.A OE2 no hydrogen 2.398 N/A LEU 173.A N ASP 169.A O no hydrogen 3.148 N/A PHE 174.A N TYR 170.A O no hydrogen 2.879 N/A GLU 175.A N LEU 171.A O no hydrogen 2.731 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.937 N/A SER 177.A OG GLU 175.A OE2 no hydrogen 2.672 N/A LEU 178.A N GLU 175.A O no hydrogen 3.115 N/A PHE 179.A N GLU 176.A O no hydrogen 2.719 N/A ALA 182.A N PHE 179.A O no hydrogen 2.930 N/A LYS 186.A N ALA 182.A O no hydrogen 3.271 N/A LYS 186.A NZ ASP 180.A O no hydrogen 2.770 N/A ASP 187.A N SER 183.A O no hydrogen 3.012 N/A TYR 188.A N SER 184.A O no hydrogen 3.020 N/A TYR 188.A OH ASP 161.A OD1 no hydrogen 2.591 N/A LEU 189.A N LEU 185.A O no hydrogen 2.894 N/A THR 190.A N LYS 186.A O no hydrogen 2.906 N/A THR 190.A OG1 LYS 186.A O no hydrogen 3.083 N/A ARG 191.A N ASP 187.A O no hydrogen 2.799 N/A ARG 191.A NH1 GLN 150.A O no hydrogen 2.811 N/A ILE 192.A N TYR 188.A O no hydrogen 3.075 N/A GLU 193.A N LEU 189.A O no hydrogen 3.002 N/A SER 194.A N THR 190.A O no hydrogen 2.965 N/A SER 194.A OG THR 190.A O no hydrogen 2.695 N/A LEU 195.A N ILE 192.A O no hydrogen 3.172 N/A GLU 199.A N LEU 195.A O no hydrogen 2.988 N/A LYS 200.A N PRO 196.A O no hydrogen 3.079 N/A TYR 201.A N GLY 197.A O no hydrogen 3.056 N/A ARG 202.A N ILE 198.A O no hydrogen 2.728 N/A SER 203.A N GLU 199.A O no hydrogen 3.014 N/A SER 203.A OG GLU 199.A O no hydrogen 2.863 N/A SER 203.A OG GLU 199.A OE2 no hydrogen 3.157 N/A SER 204.A N TYR 201.A O no hydrogen 3.042 N/A SER 204.A OG TYR 201.A O no hydrogen 2.661 N/A PHE 207.A N SER 204.A O no hydrogen 3.287 N/A LYS 208.A N SER 204.A O no hydrogen 3.159 N/A ARG 209.A N ASP 205.A O no hydrogen 3.002 N/A ARG 209.A NH1 GLU 31.A OE2 no hydrogen 3.336 N/A ARG 209.A NH2 GLU 31.A OE1 no hydrogen 3.032 N/A LEU 210.A N PHE 207.A O no hydrogen 2.944 N/A THR 213.A N GLY 220.A O no hydrogen 2.961 N/A THR 213.A OG1 PHE 219.A O no hydrogen 2.685 N/A ALA 214.A N TYR 117.A OH no hydrogen 2.867 N/A ALA 217.A N ALA 214.A O no hydrogen 3.129 N/A LYS 218.A N PHE 116.A O no hydrogen 2.708 N/A