Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3frh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A ND2 ASP 7.A OD2 no hydrogen 3.074 N/A ASP 7.A N ASN 4.A OD1 no hydrogen 2.821 N/A ALA 8.A N ASN 4.A O no hydrogen 3.008 N/A LEU 9.A N ILE 5.A O no hydrogen 2.820 N/A THR 10.A N ASN 6.A O no hydrogen 3.066 N/A THR 10.A OG1 ASN 6.A O no hydrogen 3.103 N/A SER 11.A N ASP 7.A O no hydrogen 3.041 N/A ILE 12.A N ALA 8.A O no hydrogen 2.884 N/A LEU 13.A N LEU 9.A O no hydrogen 2.955 N/A ALA 14.A N THR 10.A O no hydrogen 3.047 N/A ALA 14.A N SER 11.A O no hydrogen 3.177 N/A SER 15.A N ILE 12.A O no hydrogen 3.112 N/A SER 15.A OG ILE 12.A O no hydrogen 2.697 N/A TYR 18.A N SER 15.A OG no hydrogen 3.107 N/A LEU 21.A N TYR 18.A O no hydrogen 3.051 N/A CYS 22.A N ILE 134.A O no hydrogen 2.814 N/A CYS 22.A SG ASP 24.A OD2 no hydrogen 3.855 N/A THR 25.A N CYS 22.A O no hydrogen 3.007 N/A THR 25.A OG1 ASP 159.A OD2 no hydrogen 2.701 N/A VAL 26.A N CYS 22.A O no hydrogen 3.317 N/A ARG 27.A N PRO 23.A O no hydrogen 2.957 N/A ARG 27.A NH1 ASN 6.A OD1 no hydrogen 2.947 N/A ARG 27.A NH2 ASN 6.A OD1 no hydrogen 2.764 N/A ARG 28.A N ASP 24.A O no hydrogen 2.819 N/A ARG 28.A NE ASP 159.A OD2 no hydrogen 3.028 N/A ARG 28.A NH1 GLU 184.A OE2 no hydrogen 2.761 N/A ARG 28.A NH2 ASP 159.A OD2 no hydrogen 2.904 N/A ARG 28.A NH2 GLU 184.A OE2 no hydrogen 3.412 N/A ILE 29.A N THR 25.A O no hydrogen 2.967 N/A LEU 30.A N VAL 26.A O no hydrogen 2.949 N/A THR 31.A N ARG 27.A O no hydrogen 2.858 N/A THR 31.A OG1 ARG 27.A O no hydrogen 2.721 N/A GLU 32.A N ARG 28.A O no hydrogen 2.986 N/A GLU 33.A N ILE 29.A O no hydrogen 2.879 N/A TRP 34.A N LEU 30.A O no hydrogen 2.825 N/A GLY 35.A N THR 31.A O no hydrogen 3.225 N/A GLY 35.A N GLU 32.A O no hydrogen 3.138 N/A ARG 36.A N GLU 33.A O no hydrogen 3.010 N/A ARG 36.A NE GLU 33.A OE1 no hydrogen 2.818 N/A ARG 36.A NE GLU 33.A OE2 no hydrogen 3.267 N/A ARG 36.A NH2 GLU 33.A OE2 no hydrogen 2.845 N/A HIS 37.A N TRP 34.A O no hydrogen 3.125 N/A GLN 42.A N SER 39.A OG no hydrogen 3.026 N/A THR 43.A N SER 39.A O no hydrogen 2.844 N/A THR 43.A OG1 LYS 38.A O no hydrogen 3.288 N/A THR 43.A OG1 SER 39.A O no hydrogen 2.705 N/A VAL 44.A N PRO 40.A O no hydrogen 2.966 N/A GLU 45.A N LYS 41.A O no hydrogen 3.142 N/A ALA 46.A N GLN 42.A O no hydrogen 2.876 N/A ALA 47.A N THR 43.A O no hydrogen 2.891 N/A ARG 48.A N VAL 44.A O no hydrogen 2.900 N/A THR 49.A N GLU 45.A O no hydrogen 2.961 N/A THR 49.A OG1 GLU 45.A O no hydrogen 3.092 N/A ARG 50.A N ALA 46.A O no hydrogen 3.070 N/A ARG 50.A NH1 GLU 32.A OE1 no hydrogen 2.870 N/A ARG 50.A NH1 GLU 33.A OE2 no hydrogen 2.846 N/A ARG 50.A NH2 GLU 32.A OE1 no hydrogen 2.877 N/A ARG 50.A NH2 GLU 184.A OE2 no hydrogen 2.917 N/A LEU 51.A N ALA 47.A O no hydrogen 2.869 N/A HIS 52.A N ARG 48.A O no hydrogen 2.849 N/A GLY 53.A N THR 49.A O no hydrogen 3.203 N/A ILE 54.A N ARG 50.A O no hydrogen 2.945 N/A CYS 55.A N LEU 51.A O no hydrogen 2.839 N/A CYS 55.A SG LEU 51.A O no hydrogen 3.510 N/A GLY 56.A N HIS 52.A O no hydrogen 2.890 N/A THR 60.A N SER 63.A OG no hydrogen 2.890 N/A SER 63.A N THR 60.A OG1 no hydrogen 2.919 N/A SER 63.A OG THR 60.A O no hydrogen 3.215 N/A SER 63.A OG LEU 82.A O no hydrogen 3.521 N/A LEU 64.A N THR 60.A O no hydrogen 2.952 N/A LYS 65.A N PRO 61.A O no hydrogen 3.017 N/A ALA 66.A N GLU 62.A O no hydrogen 2.957 N/A ALA 67.A N SER 63.A O no hydrogen 2.859 N/A ALA 68.A N LEU 64.A O no hydrogen 2.993 N/A ALA 69.A N LYS 65.A O no hydrogen 3.021 N/A ALA 70.A N ALA 66.A O no hydrogen 2.935 N/A LEU 71.A N ALA 67.A O no hydrogen 2.967 N/A SER 72.A N ALA 68.A O no hydrogen 2.951 N/A SER 72.A OG ALA 68.A O no hydrogen 3.109 N/A ALA 73.A N ALA 69.A O no hydrogen 3.116 N/A ALA 73.A N ALA 70.A O no hydrogen 3.066 N/A GLY 74.A N LEU 71.A O no hydrogen 2.914 N/A ASP 75.A N ALA 70.A O no hydrogen 2.828 N/A LYS 78.A N ASP 75.A OD1 no hydrogen 3.090 N/A ALA 79.A N ASP 75.A O no hydrogen 3.157 N/A LEU 80.A N VAL 76.A O no hydrogen 2.862 N/A SER 81.A N LYS 77.A O no hydrogen 2.958 N/A SER 81.A OG LYS 78.A O no hydrogen 2.661 N/A LEU 82.A N ALA 79.A O no hydrogen 2.982 N/A HIS 83.A N LEU 80.A O no hydrogen 3.429 N/A ALA 84.A N TYR 58.A O no hydrogen 2.988 N/A SER 85.A N HIS 83.A ND1 no hydrogen 3.041 N/A THR 86.A OG1 LEU 80.A O no hydrogen 2.653 N/A THR 86.A OG1 HIS 83.A O no hydrogen 3.212 N/A LYS 87.A N HIS 83.A O no hydrogen 2.891 N/A GLU 88.A N ALA 84.A O no hydrogen 3.187 N/A ARG 89.A N THR 86.A O no hydrogen 3.015 N/A ARG 89.A NE GLU 233.A OE2 no hydrogen 2.939 N/A ARG 89.A NH2 GLU 233.A OE1 no hydrogen 2.858 N/A LEU 90.A N LYS 87.A O no hydrogen 3.217 N/A GLU 92.A N ARG 89.A O no hydrogen 3.191 N/A LEU 93.A N LEU 90.A O no hydrogen 3.274 N/A LEU 96.A N GLU 92.A O no hydrogen 2.870 N/A TYR 97.A N LEU 93.A O no hydrogen 3.048 N/A TYR 97.A OH ASN 117.A OD1 no hydrogen 2.672 N/A ASP 98.A N ASP 94.A O no hydrogen 2.811 N/A PHE 99.A N THR 95.A O no hydrogen 3.057 N/A ILE 100.A N LEU 96.A O no hydrogen 3.013 N/A PHE 101.A N TYR 97.A O no hydrogen 2.866 N/A SER 102.A N PHE 99.A O no hydrogen 3.499 N/A ARG 108.A N ASP 170.A OD2 no hydrogen 2.933 N/A ARG 108.A NE ALA 168.A O no hydrogen 2.845 N/A ARG 108.A NH1 SER 128.A OG no hydrogen 2.859 N/A VAL 109.A N SER 128.A O no hydrogen 2.911 N/A LEU 110.A N LEU 171.A O no hydrogen 2.903 N/A ASP 111.A N TRP 130.A O no hydrogen 2.797 N/A ILE 112.A N LEU 173.A O no hydrogen 2.967 N/A CYS 114.A N CYS 132.A O no hydrogen 2.911 N/A CYS 114.A SG GLY 115.A O no hydrogen 3.532 N/A CYS 114.A SG CYS 132.A O no hydrogen 3.814 N/A GLY 115.A N ASP 133.A OD2 no hydrogen 3.011 N/A ASN 117.A N CYS 114.A O no hydrogen 2.994 N/A ASN 117.A ND2 TYR 97.A OH no hydrogen 2.875 N/A ASN 117.A ND2 ASP 111.A OD2 no hydrogen 2.800 N/A LEU 119.A N LEU 116.A O no hydrogen 3.022 N/A ALA 120.A N ASN 117.A O no hydrogen 2.854 N/A LEU 121.A N ASN 117.A O no hydrogen 3.362 N/A TYR 122.A N PRO 118.A O no hydrogen 2.937 N/A GLU 123.A N LEU 119.A O no hydrogen 3.231 N/A ARG 124.A N ALA 120.A O no hydrogen 2.995 N/A ARG 124.A NH1 ASP 94.A O no hydrogen 3.292 N/A ARG 124.A NH1 ASP 94.A OD1 no hydrogen 2.924 N/A ARG 124.A NH1 ASP 98.A OD1 no hydrogen 2.993 N/A ARG 124.A NH2 ASP 98.A OD1 no hydrogen 2.931 N/A GLY 125.A N TYR 122.A O no hydrogen 2.888 N/A ILE 126.A N LEU 121.A O no hydrogen 3.085 N/A SER 128.A N ARG 107.A O no hydrogen 3.006 N/A SER 128.A OG ASP 152.A OD2 no hydrogen 2.764 N/A VAL 129.A N ASP 152.A O no hydrogen 2.885 N/A TRP 130.A N VAL 109.A O no hydrogen 2.959 N/A GLY 131.A N THR 154.A O no hydrogen 2.885 N/A CYS 132.A N ASP 111.A O no hydrogen 3.159 N/A ASP 133.A N ALA 156.A O no hydrogen 3.081 N/A ILE 134.A N ASP 133.A OD1 no hydrogen 2.654 N/A GLN 136.A N ALA 20.A O no hydrogen 2.914 N/A GLY 137.A N HIS 135.A ND1 no hydrogen 2.885 N/A LEU 138.A N HIS 135.A O no hydrogen 3.105 N/A ASP 140.A N GLN 136.A O no hydrogen 2.965 N/A VAL 141.A N GLY 137.A O no hydrogen 3.064 N/A VAL 141.A N LEU 138.A O no hydrogen 3.168 N/A ILE 142.A N LEU 138.A O no hydrogen 3.031 N/A THR 143.A N GLY 139.A O no hydrogen 2.845 N/A THR 143.A OG1 GLY 139.A O no hydrogen 3.187 N/A ALA 146.A N ILE 142.A O no hydrogen 2.913 N/A ARG 147.A N THR 143.A O no hydrogen 2.915 N/A GLU 148.A N PRO 144.A O no hydrogen 2.983 N/A LYS 149.A N PHE 145.A O no hydrogen 2.964 N/A LYS 149.A N ALA 146.A O no hydrogen 3.157 N/A LYS 149.A NZ TYR 122.A OH no hydrogen 3.366 N/A ASP 150.A N ARG 147.A O no hydrogen 3.240 N/A TRP 151.A N ALA 146.A O no hydrogen 2.901 N/A TRP 151.A NE1 ILE 126.A O no hydrogen 2.879 N/A PHE 153.A N TRP 151.A O no hydrogen 2.825 N/A THR 154.A N VAL 129.A O no hydrogen 2.935 N/A ALA 156.A N GLY 131.A O no hydrogen 2.849 N/A GLN 158.A N ASP 133.A O no hydrogen 2.902 N/A GLN 158.A NE2 ALA 163.A O no hydrogen 2.891 N/A GLN 158.A NE2 PRO 164.A O no hydrogen 3.018 N/A LEU 161.A N ASP 159.A OD1 no hydrogen 2.825 N/A CYS 162.A N ASP 159.A O no hydrogen 2.892 N/A CYS 162.A SG ASP 24.A O no hydrogen 3.742 N/A ALA 163.A N ASP 159.A O no hydrogen 3.109 N/A GLY 169.A N ASN 197.A O no hydrogen 3.144 N/A ASP 170.A N ARG 108.A O no hydrogen 2.840 N/A LEU 171.A N ARG 108.A O no hydrogen 3.383 N/A ALA 172.A N ARG 200.A O no hydrogen 3.109 N/A LEU 173.A N LEU 110.A O no hydrogen 2.797 N/A ILE 174.A N ALA 202.A O no hydrogen 2.854 N/A LYS 176.A N SER 204.A O no hydrogen 3.046 N/A LYS 176.A NZ SER 85.A O no hydrogen 3.087 N/A LYS 176.A NZ GLU 88.A OE1 no hydrogen 2.786 N/A LEU 181.A N LEU 177.A O no hydrogen 3.117 N/A GLU 182.A N LEU 178.A O no hydrogen 2.950 N/A ARG 183.A N PRO 179.A O no hydrogen 3.016 N/A GLU 184.A N LEU 180.A O no hydrogen 3.331 N/A GLU 184.A N LEU 181.A O no hydrogen 3.141 N/A GLN 185.A N LEU 181.A O no hydrogen 2.887 N/A GLY 187.A N GLU 182.A OE1 no hydrogen 2.663 N/A GLY 187.A N GLU 182.A OE2 no hydrogen 3.248 N/A SER 188.A N GLN 185.A O no hydrogen 2.999 N/A SER 188.A OG LEU 181.A O no hydrogen 2.969 N/A SER 188.A OG GLN 185.A O no hydrogen 2.768 N/A ALA 189.A N GLU 182.A OE2 no hydrogen 3.192 N/A ALA 191.A N GLY 187.A O no hydrogen 3.325 N/A LEU 192.A N SER 188.A O no hydrogen 2.906 N/A LEU 193.A N ALA 189.A O no hydrogen 3.258 N/A GLN 194.A N MET 190.A O no hydrogen 2.971 N/A GLN 194.A NE2 GLU 221.A OE1 no hydrogen 2.861 N/A SER 195.A N ALA 191.A O no hydrogen 3.091 N/A SER 195.A N LEU 192.A O no hydrogen 2.987 N/A SER 195.A OG LEU 192.A O no hydrogen 2.730 N/A LEU 196.A N LEU 193.A O no hydrogen 3.249 N/A ASN 197.A ND2 ALA 166.A O no hydrogen 3.262 N/A ASN 197.A ND2 GLU 167.A O no hydrogen 3.275 N/A THR 198.A OG1 ARG 200.A O no hydrogen 2.897 N/A ARG 200.A NE GLU 225.A OE1 no hydrogen 2.920 N/A ARG 200.A NH2 GLU 225.A OE1 no hydrogen 3.558 N/A ARG 200.A NH2 GLU 225.A OE2 no hydrogen 3.068 N/A MET 201.A N ILE 238.A O no hydrogen 2.959 N/A ALA 202.A N ALA 172.A O no hydrogen 2.857 N/A VAL 203.A N TYR 236.A O no hydrogen 2.908 N/A SER 204.A N ILE 174.A O no hydrogen 3.040 N/A SER 204.A OG GLU 233.A OE1 no hydrogen 2.720 N/A PHE 205.A N LEU 234.A O no hydrogen 2.899 N/A THR 207.A N THR 232.A O no hydrogen 2.915 N/A TRP 213.A N ASN 209.A O no hydrogen 2.929 N/A PHE 214.A N TYR 210.A O no hydrogen 2.807 N/A GLU 215.A N ALA 211.A O no hydrogen 2.865 N/A GLY 216.A N ALA 212.A O no hydrogen 2.935 N/A GLY 217.A N TRP 213.A O no hydrogen 3.035 N/A GLY 217.A N PHE 214.A O no hydrogen 3.264 N/A LEU 218.A N PHE 214.A O no hydrogen 2.966 N/A GLU 221.A N GLU 221.A OE2 no hydrogen 2.699 N/A PHE 222.A N PRO 219.A O no hydrogen 3.042 N/A GLU 223.A N LYS 239.A O no hydrogen 2.902 N/A GLU 225.A N LEU 237.A O no hydrogen 2.755 N/A ASP 226.A N LEU 237.A O no hydrogen 3.353 N/A LYS 227.A N ASP 226.A OD1 no hydrogen 2.831 N/A LYS 227.A NZ GLU 215.A OE2 no hydrogen 2.716 N/A LYS 228.A N ILE 235.A O no hydrogen 2.926 N/A ILE 230.A N GLU 233.A O no hydrogen 2.865 N/A GLU 233.A N ILE 230.A O no hydrogen 3.096 N/A LEU 234.A N PHE 205.A O no hydrogen 2.805 N/A ILE 235.A N LYS 228.A O no hydrogen 2.832 N/A TYR 236.A N VAL 203.A O no hydrogen 2.848 N/A TYR 236.A OH GLU 215.A OE2 no hydrogen 2.675 N/A LEU 237.A N ASP 226.A O no hydrogen 2.909 N/A ILE 238.A N MET 201.A O no hydrogen 2.920 N/A LYS 239.A N GLU 223.A O no hydrogen 2.892 N/A LYS 239.A NZ ASN 241.A OD1 no hydrogen 2.826 N/A LYS 240.A N PRO 199.A O no hydrogen 2.902 N/A LYS 240.A NZ GLN 194.A O no hydrogen 3.065 N/A ASN 241.A N GLU 221.A O no hydrogen 2.648 N/A