Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ein_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 ARG 248.A O no hydrogen 2.643 N/A GLU 4.A N HIS 2.A ND1 no hydrogen 3.006 N/A LEU 5.A N HIS 2.A O no hydrogen 3.035 N/A GLN 6.A N GLY 3.A O no hydrogen 3.129 N/A GLN 6.A NE2 GLY 3.A O no hydrogen 3.134 N/A GLN 6.A NE2 ARG 38.A O no hydrogen 2.682 N/A TYR 7.A OH MET 193.A O no hydrogen 2.696 N/A LEU 8.A N GLU 4.A O no hydrogen 3.192 N/A ARG 9.A N LEU 5.A O no hydrogen 2.827 N/A GLN 10.A N GLN 6.A O no hydrogen 2.862 N/A VAL 11.A N TYR 7.A O no hydrogen 3.008 N/A GLU 12.A N LEU 8.A O no hydrogen 2.865 N/A HIS 13.A N ARG 9.A O no hydrogen 2.924 N/A ILE 14.A N GLN 10.A O no hydrogen 3.017 N/A LEU 15.A N VAL 11.A O no hydrogen 2.944 N/A ARG 16.A N GLU 12.A O no hydrogen 2.983 N/A CYS 17.A N HIS 13.A O no hydrogen 2.776 N/A GLY 18.A N ILE 14.A O no hydrogen 2.868 N/A PHE 19.A N SER 31.A O no hydrogen 2.990 N/A LYS 20.A NZ GLU 22.A OE2 no hydrogen 2.628 N/A LYS 21.A N THR 29.A O no hydrogen 2.854 N/A LYS 21.A NZ ASP 228.A OD2 no hydrogen 2.794 N/A GLY 26.A N ASP 23.A OD1 no hydrogen 3.378 N/A THR 27.A OG1 GLY 28.A O no hydrogen 3.392 N/A GLY 28.A N ASP 23.A OD1 no hydrogen 3.338 N/A THR 29.A N LYS 21.A O no hydrogen 3.004 N/A THR 29.A OG1 LYS 21.A O no hydrogen 2.865 N/A LEU 30.A N ILE 231.A O no hydrogen 2.910 N/A SER 31.A N PHE 19.A O no hydrogen 2.844 N/A SER 31.A OG ASP 228.A OD1 no hydrogen 2.650 N/A VAL 32.A N ALA 229.A O no hydrogen 2.903 N/A GLY 34.A N GLY 227.A O no hydrogen 2.891 N/A MET 35.A N LEU 226.A O no hydrogen 3.164 N/A GLN 36.A NE2 THR 225.A OG1 no hydrogen 2.928 N/A ALA 37.A N HIS 224.A O no hydrogen 2.971 N/A ARG 38.A N GLN 6.A OE1 no hydrogen 2.902 N/A ARG 38.A NH1 ASP 221.A OD2 no hydrogen 3.120 N/A TYR 39.A N PHE 222.A O no hydrogen 2.779 N/A LEU 41.A N GLY 220.A O no hydrogen 2.828 N/A ARG 42.A N SER 40.A OG no hydrogen 3.105 N/A ARG 42.A NE GLU 181.A OE1 no hydrogen 2.924 N/A ARG 42.A NE GLU 181.A OE2 no hydrogen 3.225 N/A ARG 42.A NH1 SER 40.A OG no hydrogen 3.216 N/A ARG 42.A NH1 ASP 221.A OD1 no hydrogen 2.908 N/A ARG 42.A NH2 GLU 181.A OE1 no hydrogen 3.252 N/A ARG 42.A NH2 ASP 221.A OD2 no hydrogen 3.226 N/A PHE 45.A N PRO 251.A O no hydrogen 2.849 N/A LEU 47.A N PHE 45.A O no hydrogen 2.934 N/A THR 49.A N GLU 4.A OE1 no hydrogen 2.879 N/A THR 49.A OG1 GLU 4.A OE1 no hydrogen 2.676 N/A THR 49.A OG1 ARG 248.A O no hydrogen 3.339 N/A THR 50.A N GLU 4.A OE2 no hydrogen 2.860 N/A THR 50.A OG1 GLU 4.A OE2 no hydrogen 2.689 N/A VAL 53.A N TYR 275.A OH no hydrogen 2.952 N/A TRP 55.A N VAL 53.A O no hydrogen 2.917 N/A LYS 56.A NZ LYS 78.A O no hydrogen 3.105 N/A VAL 58.A N PHE 54.A O no hydrogen 3.020 N/A LEU 59.A N TRP 55.A O no hydrogen 2.975 N/A GLU 60.A N LYS 56.A O no hydrogen 2.967 N/A GLU 61.A N GLY 57.A O no hydrogen 3.025 N/A LEU 62.A N VAL 58.A O no hydrogen 3.165 N/A LEU 63.A N LEU 59.A O no hydrogen 3.045 N/A TRP 64.A N GLU 60.A O no hydrogen 2.983 N/A TRP 64.A NE1 ASN 71.A O no hydrogen 3.037 N/A PHE 65.A N GLU 61.A O no hydrogen 2.897 N/A ILE 66.A N LEU 62.A O no hydrogen 3.021 N/A LYS 67.A N LEU 63.A O no hydrogen 3.056 N/A LYS 67.A NZ GLU 74.A OE2 no hydrogen 2.483 N/A GLY 68.A N PHE 65.A O no hydrogen 2.906 N/A THR 70.A OG1 TYR 120.A OH no hydrogen 2.823 N/A ASN 71.A N SER 69.A OG no hydrogen 3.150 N/A ALA 72.A N GLY 103.A O no hydrogen 2.776 N/A LYS 73.A N ASN 71.A OD1 no hydrogen 2.949 N/A GLU 74.A N ASN 71.A O no hydrogen 2.970 N/A SER 76.A N ALA 72.A O no hydrogen 2.886 N/A SER 76.A OG ASP 84.A OD2 no hydrogen 2.708 N/A SER 77.A N LYS 73.A O no hydrogen 2.975 N/A SER 77.A OG GLU 74.A O no hydrogen 2.868 N/A LYS 78.A N LEU 75.A O no hydrogen 2.815 N/A GLY 79.A N SER 76.A O no hydrogen 2.876 N/A TRP 83.A NE1 GLU 61.A OE2 no hydrogen 2.694 N/A ASP 84.A N ARG 81.A O.A no hydrogen 3.160 N/A ASP 84.A N ARG 81.A O.B no hydrogen 2.894 N/A GLY 87.A N ASP 84.A O no hydrogen 3.042 N/A SER 88.A N ALA 85.A O no hydrogen 3.195 N/A SER 88.A OG ALA 85.A O no hydrogen 3.005 N/A ARG 89.A N GLU 102.A OE2 no hydrogen 2.810 N/A ARG 89.A NE ARG 89.A O no hydrogen 3.343 N/A ARG 89.A NE ASP 93.A OD1 no hydrogen 3.148 N/A ARG 89.A NE ASP 93.A OD2 no hydrogen 3.363 N/A ARG 89.A NH1 ARG 100.A O no hydrogen 2.717 N/A ARG 89.A NH2 ASP 93.A OD1 no hydrogen 3.027 N/A ARG 89.A NH2 ARG 100.A O no hydrogen 3.088 N/A PHE 91.A N SER 88.A OG no hydrogen 3.188 N/A LEU 92.A N SER 88.A O no hydrogen 2.918 N/A ASP 93.A N ARG 89.A O no hydrogen 2.984 N/A SER 94.A N ASP 90.A O no hydrogen 2.980 N/A SER 94.A OG PHE 91.A O no hydrogen 2.637 N/A LEU 95.A N LEU 92.A O no hydrogen 3.183 N/A GLY 96.A N ASP 93.A O no hydrogen 3.034 N/A PHE 97.A N LEU 92.A O no hydrogen 2.766 N/A ARG 100.A N PHE 97.A O no hydrogen 3.068 N/A ARG 100.A NH1 ASP 104.A O no hydrogen 3.440 N/A ARG 100.A NH1 LEU 163.A O no hydrogen 3.062 N/A ARG 100.A NH2 LEU 163.A O no hydrogen 2.694 N/A GLY 103.A N GLY 87.A O no hydrogen 2.778 N/A ASP 104.A N GLN 101.A O no hydrogen 3.138 N/A LEU 105.A N THR 70.A O no hydrogen 3.112 N/A GLY 106.A N ASP 104.A OD1 no hydrogen 3.109 N/A VAL 108.A N GLY 106.A O no hydrogen 2.743 N/A GLN 112.A N VAL 108.A O no hydrogen 3.113 N/A GLN 112.A NE2 PRO 107.A O no hydrogen 2.813 N/A GLN 112.A NE2 ASP 160.A OD2 no hydrogen 2.782 N/A TRP 113.A N TYR 109.A O no hydrogen 2.804 N/A ARG 114.A N.A GLY 110.A O no hydrogen 3.232 N/A ARG 114.A N.B GLY 110.A O no hydrogen 3.209 N/A ARG 114.A NE.A ILE 66.A O no hydrogen 2.922 N/A ARG 114.A NE.B ASP 133.A OD1 no hydrogen 2.821 N/A ARG 114.A NH1.A ASP 133.A OD1 no hydrogen 3.067 N/A ARG 114.A NH1.A ASP 133.A OD2 no hydrogen 2.819 N/A ARG 114.A NH1.B ASP 133.A OD1 no hydrogen 3.557 N/A ARG 114.A NH1.B ASP 133.A OD2 no hydrogen 3.035 N/A ARG 114.A NH1.B ASP 263.A OD1 no hydrogen 3.523 N/A ARG 114.A NH2.A ILE 66.A O no hydrogen 3.095 N/A ARG 114.A NH2.B ILE 66.A O no hydrogen 2.506 N/A ARG 114.A NH2.B ASP 263.A OD1 no hydrogen 3.258 N/A HIS 115.A N PHE 111.A O no hydrogen 2.726 N/A HIS 115.A ND1 GLN 130.A O no hydrogen 2.772 N/A PHE 116.A N VAL 132.A O no hydrogen 3.113 N/A ALA 118.A N HIS 115.A O no hydrogen 3.052 N/A TYR 120.A OH THR 70.A OG1 no hydrogen 2.823 N/A TYR 120.A OH ASP 104.A OD1 no hydrogen 2.605 N/A LYS 121.A N TYR 127.A OH no hydrogen 2.825 N/A ASP 122.A N SER 125.A OG no hydrogen 3.044 N/A MET 123.A N ASP 104.A OD2 no hydrogen 2.949 N/A ASP 124.A N ASP 122.A OD1 no hydrogen 2.817 N/A SER 125.A N ASP 122.A O no hydrogen 3.213 N/A SER 125.A OG ASP 122.A O no hydrogen 3.195 N/A SER 125.A OG ASP 122.A OD1 no hydrogen 3.302 N/A TYR 127.A OH ASP 122.A O no hydrogen 2.758 N/A SER 128.A N ASP 126.A OD1 no hydrogen 2.916 N/A GLN 130.A N TYR 127.A O no hydrogen 2.881 N/A VAL 132.A N PHE 116.A O no hydrogen 2.808 N/A GLN 134.A NE2 GLN 112.A O no hydrogen 2.797 N/A GLN 134.A NE2 CYS 154.A O no hydrogen 2.869 N/A LEU 135.A N TRP 113.A O no hydrogen 3.216 N/A GLN 136.A N ASP 133.A OD1 no hydrogen 3.000 N/A GLN 136.A NE2 ASP 140.A OD1 no hydrogen 2.850 N/A LYS 137.A N ASP 133.A O no hydrogen 3.031 N/A VAL 138.A N GLN 134.A O no hydrogen 2.927 N/A ILE 139.A N LEU 135.A O no hydrogen 3.214 N/A ASP 140.A N GLN 136.A O no hydrogen 2.854 N/A THR 141.A N LYS 137.A O no hydrogen 2.943 N/A THR 141.A OG1 LYS 137.A O no hydrogen 3.011 N/A ILE 142.A N VAL 138.A O no hydrogen 2.928 N/A LYS 143.A N ILE 139.A O no hydrogen 3.149 N/A THR 144.A N ASP 140.A O no hydrogen 3.076 N/A THR 144.A OG1 ASP 140.A O no hydrogen 3.082 N/A ASN 145.A N THR 141.A O no hydrogen 2.722 N/A ASP 148.A N ASN 145.A O no hydrogen 2.895 N/A ARG 150.A N ASP 148.A OD2 no hydrogen 2.853 N/A MET 153.A N.A CYS 173.A O no hydrogen 2.959 N/A MET 153.A N.B CYS 173.A O no hydrogen 2.963 N/A CYS 154.A N GLN 134.A OE1 no hydrogen 2.764 N/A CYS 154.A SG TRP 156.A O no hydrogen 3.454 N/A CYS 154.A SG ALA 171.A O no hydrogen 3.809 N/A ALA 155.A N ALA 171.A O no hydrogen 2.905 N/A TRP 156.A N ALA 171.A O no hydrogen 3.129 N/A ASN 157.A ND2 GLN 112.A OE1 no hydrogen 2.974 N/A LYS 159.A N ASN 157.A OD1 no hydrogen 3.185 N/A ASP 160.A N ASN 157.A OD1 no hydrogen 3.403 N/A LEU 161.A N ASN 157.A O no hydrogen 3.034 N/A LEU 163.A N ASP 160.A O no hydrogen 3.024 N/A MET 164.A N LEU 161.A O no hydrogen 3.081 N/A ALA 165.A N LEU 105.A O no hydrogen 2.775 N/A CYS 169.A SG SER 190.A O no hydrogen 3.865 N/A HIS 170.A N TYR 109.A OH no hydrogen 3.013 N/A ALA 171.A N TYR 187.A O no hydrogen 3.012 N/A CYS 173.A N MET 153.A O.A no hydrogen 2.901 N/A CYS 173.A N MET 153.A O.B no hydrogen 2.900 N/A CYS 173.A SG MET 153.A O.A no hydrogen 4.019 N/A CYS 173.A SG MET 153.A O.B no hydrogen 4.037 N/A GLN 174.A N GLN 185.A O no hydrogen 2.890 N/A PHE 175.A N ILE 151.A O no hydrogen 2.895 N/A TYR 176.A N SER 183.A O no hydrogen 3.025 N/A VAL 178.A N GLU 181.A O no hydrogen 3.182 N/A GLU 181.A N VAL 178.A O no hydrogen 2.890 N/A LEU 182.A N GLN 218.A O no hydrogen 2.748 N/A SER 183.A N TYR 176.A O no hydrogen 2.830 N/A CYS 184.A N ASP 221.A O no hydrogen 3.012 N/A GLN 185.A N GLN 174.A O no hydrogen 2.735 N/A LEU 186.A N VAL 223.A O no hydrogen 2.899 N/A TYR 187.A N LEU 172.A O no hydrogen 2.919 N/A GLN 188.A N THR 225.A O no hydrogen 2.812 N/A GLN 188.A NE2 SER 190.A O no hydrogen 2.905 N/A GLN 188.A NE2 ASN 200.A OD1 no hydrogen 2.909 N/A ARG 189.A N CYS 169.A O no hydrogen 2.831 N/A ARG 189.A NE PRO 168.A O no hydrogen 2.758 N/A ARG 189.A NH2 PRO 167.A O no hydrogen 3.026 N/A GLY 191.A N ASP 228.A O no hydrogen 2.971 N/A MET 193.A N HIS 230.A O no hydrogen 2.932 N/A LEU 195.A N ASP 192.A OD1 no hydrogen 3.159 N/A GLY 196.A N ASP 192.A O no hydrogen 2.967 N/A VAL 197.A N ASP 192.A O no hydrogen 2.951 N/A ASN 200.A N GLY 196.A O no hydrogen 2.981 N/A ILE 201.A N VAL 197.A O no hydrogen 2.905 N/A ALA 202.A N PRO 198.A O no hydrogen 3.224 N/A SER 203.A N PHE 199.A O no hydrogen 2.921 N/A TYR 204.A N ASN 200.A O no hydrogen 3.241 N/A ALA 205.A N ILE 201.A O no hydrogen 2.945 N/A LEU 206.A N ALA 202.A O no hydrogen 2.882 N/A LEU 207.A N SER 203.A O no hydrogen 2.972 N/A THR 208.A N TYR 204.A O no hydrogen 2.996 N/A THR 208.A OG1 TYR 204.A O no hydrogen 2.810 N/A TYR 209.A N ALA 205.A O no hydrogen 2.997 N/A TYR 209.A OH LEU 41.A O no hydrogen 2.856 N/A TYR 209.A OH GLU 44.A O no hydrogen 2.870 N/A MET 210.A N LEU 206.A O no hydrogen 2.769 N/A ILE 211.A N LEU 207.A O no hydrogen 2.885 N/A ALA 212.A N THR 208.A O no hydrogen 2.881 N/A HIS 213.A N TYR 209.A O no hydrogen 2.979 N/A ILE 214.A N MET 210.A O no hydrogen 3.132 N/A THR 215.A N ILE 211.A O no hydrogen 3.001 N/A THR 215.A N ALA 212.A O no hydrogen 3.258 N/A THR 215.A OG1 ILE 211.A O no hydrogen 2.779 N/A THR 215.A OG1 ALA 212.A O no hydrogen 3.340 N/A LEU 217.A N ALA 212.A O no hydrogen 2.890 N/A GLN 218.A N GLY 180.A O no hydrogen 3.079 N/A GLY 220.A N LEU 182.A O no hydrogen 2.711 N/A ASP 221.A N SER 183.A OG no hydrogen 3.011 N/A PHE 222.A N TYR 39.A O no hydrogen 2.781 N/A VAL 223.A N CYS 184.A O no hydrogen 2.789 N/A HIS 224.A N ALA 37.A O no hydrogen 2.809 N/A HIS 224.A NE2 GLN 188.A OE1 no hydrogen 2.667 N/A THR 225.A N LEU 186.A O no hydrogen 2.933 N/A THR 225.A OG1 GLN 185.A OE1 no hydrogen 2.616 N/A LEU 226.A N MET 35.A O no hydrogen 2.876 N/A GLY 227.A N GLN 188.A O no hydrogen 2.833 N/A ASP 228.A N ARG 189.A O no hydrogen 2.970 N/A ALA 229.A N VAL 32.A O no hydrogen 2.939 N/A HIS 230.A N GLY 191.A O no hydrogen 2.973 N/A HIS 230.A ND1 ASP 228.A O no hydrogen 2.963 N/A HIS 230.A ND1 ASP 228.A OD1 no hydrogen 3.114 N/A ILE 231.A N LEU 30.A O no hydrogen 2.819 N/A TYR 232.A OH ASP 23.A OD2 no hydrogen 3.131 N/A LEU 233.A N GLY 28.A O no hydrogen 3.146 N/A ASN 234.A ND2 GLU 282.A O no hydrogen 3.660 N/A HIS 235.A N TYR 232.A O no hydrogen 2.868 N/A HIS 235.A NE2 GLU 282.A O no hydrogen 2.794 N/A ILE 236.A N LEU 233.A O no hydrogen 3.462 N/A LEU 239.A N HIS 235.A O no hydrogen 3.072 N/A LYS 240.A N ILE 236.A O no hydrogen 2.973 N/A LYS 240.A NZ GLU 237.A OE1 no hydrogen 3.202 N/A LYS 240.A NZ GLU 237.A OE2 no hydrogen 2.571 N/A ILE 241.A N GLU 237.A O no hydrogen 3.395 N/A GLN 242.A N PRO 238.A O no hydrogen 3.013 N/A GLN 242.A NE2 THR 50.A OG1 no hydrogen 2.947 N/A LEU 243.A N LEU 239.A O no hydrogen 2.761 N/A GLN 244.A N.A ILE 241.A O no hydrogen 3.047 N/A GLN 244.A N.B ILE 241.A O no hydrogen 3.052 N/A ARG 245.A N GLN 242.A O no hydrogen 3.026 N/A ARG 245.A NH1 THR 50.A O no hydrogen 2.963 N/A ARG 245.A NH1 PRO 279.A O no hydrogen 2.861 N/A ARG 245.A NH2 PRO 279.A O no hydrogen 2.899 N/A ARG 248.A N THR 49.A OG1 no hydrogen 2.963 N/A ARG 248.A NH1 ASN 276.A O no hydrogen 2.940 N/A LYS 252.A N GLU 273.A O no hydrogen 2.978 N/A LYS 252.A NZ ASP 43.A O no hydrogen 2.841 N/A LYS 254.A N GLN 271.A O no hydrogen 2.965 N/A LYS 254.A NZ GLU 273.A OE1 no hydrogen 3.147 N/A LEU 256.A N ASP 269.A O no hydrogen 2.783 N/A ARG 257.A NE ASP 269.A OD1 no hydrogen 2.709 N/A ARG 257.A NH1 ASP 264.A OD2 no hydrogen 2.924 N/A ARG 257.A NH2 ASP 264.A O no hydrogen 2.962 N/A ARG 257.A NH2 ASP 264.A OD2 no hydrogen 3.199 N/A ARG 257.A NH2 ASP 269.A OD2 no hydrogen 2.913 N/A VAL 259.A N HIS 213.A NE2 no hydrogen 2.926 N/A ASP 264.A N THR 261.A O no hydrogen 3.068 N/A LYS 266.A N ASP 269.A OD2 no hydrogen 2.728 N/A LYS 266.A NZ ASP 264.A O no hydrogen 2.648 N/A ASP 269.A N LYS 266.A O no hydrogen 2.844 N/A PHE 270.A N VAL 267.A O no hydrogen 3.316 N/A GLN 271.A N LYS 254.A O no hydrogen 2.953 N/A GLU 273.A N LYS 252.A O no hydrogen 2.854 N/A TYR 275.A OH LEU 48.A O no hydrogen 2.578 N/A HIS 278.A N THR 49.A O no hydrogen 2.766 N/A HIS 278.A NE2 GLU 246.A O no hydrogen 2.707 N/A