Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wr8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N GLU 170.A O no hydrogen 2.733 N/A ALA 4.A N GLU 170.A O no hydrogen 3.316 N/A ILE 5.A N PRO 37.A O no hydrogen 3.026 N/A SER 6.A N ALA 172.A O no hydrogen 2.767 N/A SER 6.A OG ALA 172.A O no hydrogen 3.503 N/A SER 6.A OG HIS 173.A ND1 no hydrogen 2.774 N/A ILE 7.A N MET 39.A O no hydrogen 2.912 N/A ASP 8.A N VAL 174.A O no hydrogen 3.261 N/A ILE 9.A N VAL 41.A O no hydrogen 3.118 N/A GLY 11.A N THR 14.A OG1 no hydrogen 3.081 N/A THR 12.A N ILE 9.A O no hydrogen 3.273 N/A THR 12.A OG1 ASP 10.A O no hydrogen 3.474 N/A ILE 13.A N ILE 9.A O no hydrogen 3.007 N/A THR 14.A OG1 TYR 15.A O no hydrogen 3.128 N/A TYR 15.A N MET 19.A O no hydrogen 2.924 N/A ARG 18.A N TYR 15.A O no hydrogen 2.962 N/A ARG 18.A NE ASP 10.A OD1 no hydrogen 3.159 N/A MET 19.A N ASN 17.A OD1 no hydrogen 3.085 N/A HIS 21.A N ILE 13.A O no hydrogen 3.002 N/A LYS 23.A N HIS 21.A ND1 no hydrogen 3.066 N/A LEU 25.A N HIS 21.A O no hydrogen 2.910 N/A GLU 26.A N GLU 22.A O no hydrogen 2.950 N/A ALA 27.A N LYS 23.A O no hydrogen 2.998 N/A ILE 28.A N ALA 24.A O no hydrogen 2.844 N/A ARG 29.A N LEU 25.A O no hydrogen 3.040 N/A ARG 29.A NE ILE 56.A O no hydrogen 2.829 N/A ARG 29.A NH2 LEU 55.A O no hydrogen 3.211 N/A ARG 29.A NH2 ILE 56.A O no hydrogen 3.380 N/A ARG 30.A N GLU 26.A O no hydrogen 2.916 N/A ALA 31.A N ALA 27.A O no hydrogen 2.932 N/A GLU 32.A N ILE 28.A O no hydrogen 2.979 N/A SER 33.A N ARG 29.A O no hydrogen 2.913 N/A SER 33.A OG ARG 29.A O no hydrogen 3.019 N/A LEU 34.A N ARG 30.A O no hydrogen 2.918 N/A GLY 35.A N GLU 32.A O no hydrogen 2.987 N/A ILE 36.A N ALA 31.A O no hydrogen 2.972 N/A ILE 38.A N GLU 32.A OE2 no hydrogen 2.814 N/A MET 39.A N ILE 5.A O no hydrogen 2.750 N/A VAL 41.A N ILE 7.A O no hydrogen 2.837 N/A THR 42.A N VAL 63.A O no hydrogen 2.805 N/A ASN 44.A N THR 42.A OG1 no hydrogen 2.922 N/A THR 45.A N ASN 44.A OD1 no hydrogen 2.762 N/A GLN 47.A N GLN 47.A OE1 no hydrogen 2.725 N/A GLN 47.A NE2 ASP 107.A O no hydrogen 3.267 N/A PHE 48.A N THR 45.A OG1 no hydrogen 2.895 N/A ALA 49.A N THR 45.A O no hydrogen 3.014 N/A GLU 50.A N VAL 46.A O no hydrogen 2.875 N/A ALA 51.A N GLN 47.A O no hydrogen 2.983 N/A ALA 52.A N PHE 48.A O no hydrogen 2.841 N/A SER 53.A N ALA 49.A O no hydrogen 2.878 N/A SER 53.A OG THR 58.A O no hydrogen 2.920 N/A SER 53.A OG THR 58.A OG1 no hydrogen 2.680 N/A ILE 54.A N GLU 50.A O no hydrogen 3.060 N/A LEU 55.A N ALA 51.A O no hydrogen 2.889 N/A ILE 56.A N ALA 52.A O no hydrogen 2.759 N/A GLY 57.A N SER 53.A O no hydrogen 2.888 N/A THR 58.A N SER 53.A O no hydrogen 2.945 N/A THR 58.A OG1 SER 53.A OG no hydrogen 2.680 N/A SER 59.A N GLU 32.A OE2 no hydrogen 2.881 N/A SER 59.A OG GLU 32.A OE1 no hydrogen 2.686 N/A SER 59.A OG GLU 32.A OE2 no hydrogen 3.440 N/A GLY 60.A N ILE 38.A O no hydrogen 3.189 N/A VAL 62.A N SER 71.A O no hydrogen 2.905 N/A VAL 63.A N LEU 40.A O no hydrogen 2.821 N/A ALA 64.A N ALA 69.A O no hydrogen 2.677 N/A GLU 65.A N ASN 44.A O no hydrogen 2.894 N/A ASP 66.A N THR 42.A O no hydrogen 3.010 N/A GLY 67.A N ALA 64.A O no hydrogen 2.863 N/A GLY 68.A N GLU 65.A O no hydrogen 3.003 N/A ALA 69.A N ALA 64.A O no hydrogen 3.047 N/A ILE 70.A N ILE 77.A O no hydrogen 2.832 N/A SER 71.A N VAL 62.A O no hydrogen 3.079 N/A SER 71.A OG GLU 50.A OE2 no hydrogen 2.647 N/A TYR 72.A N LYS 75.A O no hydrogen 3.069 N/A LYS 75.A N TYR 72.A O no hydrogen 2.940 N/A ARG 76.A NE GLU 50.A OE1 no hydrogen 3.435 N/A ARG 76.A NE GLU 50.A OE2 no hydrogen 2.787 N/A ARG 76.A NH2 GLU 50.A OE1 no hydrogen 2.828 N/A ILE 77.A N ILE 70.A O no hydrogen 2.749 N/A LEU 79.A N GLY 68.A O no hydrogen 2.866 N/A ASP 83.A N GLU 85.A OE1 no hydrogen 3.026 N/A GLU 84.A N ASP 83.A OD1 no hydrogen 2.571 N/A GLU 85.A N GLU 85.A OE1 no hydrogen 2.553 N/A TRP 86.A N ASP 83.A O no hydrogen 3.012 N/A ILE 87.A N ASP 83.A O no hydrogen 3.394 N/A LEU 88.A N GLU 84.A O no hydrogen 2.883 N/A TRP 89.A N GLU 85.A O no hydrogen 2.962 N/A ASN 90.A N TRP 86.A O no hydrogen 2.915 N/A GLU 91.A N ILE 87.A O no hydrogen 3.183 N/A ILE 92.A N LEU 88.A O no hydrogen 2.859 N/A ARG 93.A N TRP 89.A O no hydrogen 2.905 N/A ARG 93.A NH2 PRO 97.A O no hydrogen 3.541 N/A LYS 94.A N ASN 90.A O no hydrogen 3.364 N/A ARG 95.A N GLU 91.A O no hydrogen 3.129 N/A ARG 95.A NE GLU 91.A OE2 no hydrogen 2.642 N/A ARG 95.A NH1 GLU 130.A OE1 no hydrogen 2.933 N/A ARG 95.A NH1 GLU 130.A OE2 no hydrogen 3.308 N/A ARG 95.A NH2 GLU 91.A OE2 no hydrogen 3.240 N/A ARG 95.A NH2 GLU 130.A OE1 no hydrogen 2.786 N/A PHE 96.A N ILE 92.A O no hydrogen 2.663 N/A ALA 99.A N PHE 96.A O no hydrogen 3.072 N/A ARG 100.A N THR 118.A OG1 no hydrogen 3.009 N/A SER 102.A N VAL 113.A O no hydrogen 2.876 N/A SER 102.A OG THR 104.A OG1 no hydrogen 2.783 N/A THR 104.A N SER 102.A OG no hydrogen 3.061 N/A THR 104.A OG1 SER 102.A OG no hydrogen 2.783 N/A MET 105.A N SER 102.A O no hydrogen 3.065 N/A ASP 107.A N THR 104.A O no hydrogen 2.895 N/A ARG 108.A N MET 105.A O no hydrogen 3.120 N/A ARG 108.A NE THR 104.A OG1 no hydrogen 2.930 N/A ARG 108.A NH1 GLY 43.A O no hydrogen 2.875 N/A ARG 108.A NH2 GLY 43.A O no hydrogen 3.501 N/A ARG 109.A N GLU 65.A OE1 no hydrogen 2.990 N/A ARG 109.A N GLU 65.A OE2 no hydrogen 3.349 N/A ALA 110.A N GLU 65.A OE2 no hydrogen 2.761 N/A LEU 112.A N VAL 146.A O no hydrogen 2.866 N/A ILE 114.A N ILE 144.A O no hydrogen 2.766 N/A MET 115.A N ARG 100.A O no hydrogen 2.869 N/A ARG 116.A NE ASP 139.A OD1 no hydrogen 2.882 N/A ARG 116.A NE ASP 139.A OD2 no hydrogen 3.409 N/A ARG 116.A NH2 ASP 139.A OD2 no hydrogen 3.054 N/A GLU 117.A N GLU 117.A OE1 no hydrogen 2.788 N/A THR 118.A N MET 115.A O no hydrogen 2.967 N/A THR 118.A OG1 MET 115.A O no hydrogen 2.862 N/A THR 123.A N ASN 120.A O no hydrogen 3.008 N/A VAL 124.A N ASN 120.A O no hydrogen 3.245 N/A ARG 125.A N VAL 121.A O no hydrogen 3.022 N/A ARG 125.A NE ALA 137.A O no hydrogen 3.013 N/A ARG 125.A NH2 ALA 137.A O no hydrogen 2.868 N/A GLU 126.A N GLU 122.A O no hydrogen 3.007 N/A ILE 127.A N THR 123.A O no hydrogen 3.132 N/A ILE 128.A N VAL 124.A O no hydrogen 2.969 N/A ASN 129.A N ARG 125.A O no hydrogen 3.004 N/A GLU 130.A N GLU 126.A O no hydrogen 3.041 N/A LEU 131.A N ILE 127.A O no hydrogen 3.056 N/A ASN 132.A N ASN 129.A O no hydrogen 2.964 N/A LEU 133.A N ILE 128.A O no hydrogen 3.064 N/A ASN 134.A N GLU 84.A OE1 no hydrogen 2.904 N/A VAL 136.A N LYS 147.A O no hydrogen 2.996 N/A VAL 138.A N HIS 145.A O no hydrogen 2.835 N/A SER 140.A N ALA 143.A O no hydrogen 3.039 N/A SER 140.A OG ALA 143.A O no hydrogen 3.213 N/A GLY 141.A N ASP 139.A OD1 no hydrogen 2.864 N/A PHE 142.A N SER 140.A OG no hydrogen 3.119 N/A ALA 143.A N SER 140.A OG no hydrogen 3.099 N/A ILE 144.A N ILE 114.A O no hydrogen 2.905 N/A HIS 145.A N VAL 138.A O no hydrogen 2.791 N/A VAL 146.A N LEU 112.A O no hydrogen 2.787 N/A LYS 147.A N VAL 136.A O no hydrogen 3.037 N/A LYS 147.A NZ ILE 151.A O no hydrogen 2.929 N/A LYS 148.A NZ SER 81.A O no hydrogen 3.067 N/A LYS 148.A NZ ASP 83.A OD1 no hydrogen 3.202 N/A LYS 148.A NZ GLU 85.A OE1 no hydrogen 2.886 N/A LYS 148.A NZ GLU 85.A OE2 no hydrogen 2.672 N/A ILE 151.A N LYS 148.A O no hydrogen 3.133 N/A ASN 152.A N SER 155.A OG no hydrogen 3.197 N/A LYS 153.A NZ ASP 8.A OD1 no hydrogen 3.154 N/A LYS 153.A NZ ASN 179.A OD1 no hydrogen 2.914 N/A LYS 153.A NZ ASP 180.A OD1 no hydrogen 3.288 N/A SER 155.A N ASN 152.A OD1 no hydrogen 2.884 N/A SER 155.A OG TRP 150.A O no hydrogen 3.491 N/A SER 155.A OG ASN 152.A O no hydrogen 2.916 N/A GLY 156.A N ASN 152.A O no hydrogen 3.021 N/A ILE 157.A N LYS 153.A O no hydrogen 2.836 N/A GLU 158.A N GLY 154.A O no hydrogen 2.953 N/A LYS 159.A N SER 155.A O no hydrogen 3.264 N/A ALA 160.A N GLY 156.A O no hydrogen 2.903 N/A SER 161.A N ILE 157.A O no hydrogen 2.819 N/A SER 161.A OG ILE 157.A O no hydrogen 2.888 N/A GLU 162.A N GLU 158.A O no hydrogen 3.127 N/A PHE 163.A N LYS 159.A O no hydrogen 3.218 N/A LEU 164.A N ALA 160.A O no hydrogen 3.033 N/A GLY 165.A N GLU 162.A O no hydrogen 3.003 N/A ILE 166.A N SER 161.A O no hydrogen 3.026 N/A LYS 167.A N GLU 170.A OE1 no hydrogen 2.985 N/A LYS 169.A NZ LYS 185.A O no hydrogen 3.239 N/A LYS 169.A NZ VAL 187.A O no hydrogen 2.848 N/A GLU 170.A N LYS 167.A O no hydrogen 2.836 N/A VAL 171.A N PRO 168.A O no hydrogen 3.033 N/A ALA 172.A N ALA 4.A O no hydrogen 3.002 N/A HIS 173.A N TYR 189.A O no hydrogen 2.905 N/A HIS 173.A ND1 SER 6.A OG no hydrogen 2.774 N/A HIS 173.A NE2 ASP 180.A OD1 no hydrogen 2.878 N/A VAL 174.A N SER 6.A O no hydrogen 2.906 N/A GLY 175.A N VAL 191.A O no hydrogen 2.954 N/A ASP 176.A N ASP 180.A OD2 no hydrogen 2.942 N/A GLY 177.A N ASP 180.A OD2 no hydrogen 2.747 N/A ASP 180.A N GLY 177.A O no hydrogen 3.008 N/A LEU 181.A N GLU 178.A O no hydrogen 3.111 N/A PHE 184.A N ASP 180.A O no hydrogen 2.892 N/A LYS 185.A N LEU 181.A O no hydrogen 3.010 N/A LYS 185.A NZ LEU 181.A O no hydrogen 3.491 N/A VAL 186.A N ALA 183.A O no hydrogen 3.059 N/A VAL 187.A N ALA 183.A O no hydrogen 3.180 N/A GLY 188.A N VAL 171.A O no hydrogen 2.838 N/A TYR 189.A N VAL 171.A O no hydrogen 3.242 N/A TYR 189.A OH HIS 222.A NE2 no hydrogen 2.888 N/A LYS 190.A N ASP 205.A OD2 no hydrogen 2.751 N/A LYS 190.A NZ ASN 203.A O no hydrogen 2.878 N/A VAL 191.A N HIS 173.A O no hydrogen 2.827 N/A ALA 192.A N TYR 206.A O no hydrogen 3.073 N/A VAL 193.A N GLY 175.A O no hydrogen 3.114 N/A ALA 194.A N THR 208.A OG1 no hydrogen 3.135 N/A ALA 194.A N LYS 210.A O no hydrogen 3.164 N/A GLN 195.A N GLN 195.A OE1 no hydrogen 2.877 N/A GLN 195.A NE2 GLY 11.A O no hydrogen 2.877 N/A ALA 196.A N VAL 193.A O no hydrogen 3.033 N/A LEU 200.A N PRO 197.A O no hydrogen 2.951 N/A LYS 201.A N PRO 197.A O no hydrogen 3.163 N/A LYS 201.A NZ ALA 194.A O no hydrogen 2.643 N/A GLU 202.A N LYS 198.A O no hydrogen 2.958 N/A ASN 203.A N LEU 200.A O no hydrogen 3.073 N/A ASN 203.A ND2 ILE 199.A O no hydrogen 2.837 N/A ALA 204.A N LYS 201.A O no hydrogen 3.087 N/A ASP 205.A N LYS 190.A O no hydrogen 2.736 N/A TYR 206.A N LYS 190.A O no hydrogen 3.226 N/A TYR 206.A OH GLU 218.A OE2 no hydrogen 2.676 N/A THR 208.A N ALA 192.A O no hydrogen 2.977 N/A THR 208.A OG1 LYS 210.A O no hydrogen 2.698 N/A LYS 209.A N GLU 218.A OE1 no hydrogen 3.128 N/A LYS 209.A N GLU 218.A OE2 no hydrogen 2.841 N/A LYS 209.A NZ TYR 206.A OH no hydrogen 3.567 N/A LYS 210.A N GLU 218.A OE1 no hydrogen 3.110 N/A TYR 212.A N GLN 195.A OE1 no hydrogen 2.938 N/A GLY 213.A N THR 14.A O no hydrogen 2.978 N/A GLY 215.A N GLU 211.A O no hydrogen 3.268 N/A GLY 216.A N TYR 212.A O no hydrogen 2.894 N/A ALA 217.A N GLY 213.A O no hydrogen 2.996 N/A GLU 218.A N GLU 214.A O no hydrogen 3.015 N/A ALA 219.A N GLY 215.A O no hydrogen 2.802 N/A ILE 220.A N GLY 216.A O no hydrogen 2.990 N/A TYR 221.A N ALA 217.A O no hydrogen 2.993 N/A TYR 221.A OH GLU 26.A OE1 no hydrogen 2.657 N/A HIS 222.A N GLU 218.A O no hydrogen 2.918 N/A HIS 222.A NE2 TYR 189.A OH no hydrogen 2.888 N/A ILE 223.A N ALA 219.A O no hydrogen 3.012 N/A LEU 224.A N ILE 220.A O no hydrogen 2.913 N/A GLU 225.A N TYR 221.A O no hydrogen 2.924 N/A LYS 226.A N HIS 222.A O no hydrogen 2.895 N/A PHE 227.A N ILE 223.A O no hydrogen 3.089 N/A GLY 228.A N GLU 225.A O no hydrogen 3.087 N/A TYR 229.A N LEU 224.A O no hydrogen 2.781 N/A TYR 229.A OH ILE 2.A O no hydrogen 2.537 N/A