Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ije_S.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N GLY 1.A O no hydrogen 3.111 N/A SER 5.A OG GLY 1.A O no hydrogen 3.225 N/A ALA 6.A N PRO 2.A O no hydrogen 2.856 N/A LEU 7.A N LEU 3.A O no hydrogen 2.869 N/A GLU 8.A N GLY 4.A O no hydrogen 3.062 N/A ILE 9.A N SER 5.A O no hydrogen 3.052 N/A ALA 10.A N ALA 6.A O no hydrogen 3.014 N/A GLU 11.A N LEU 7.A O no hydrogen 3.045 N/A GLN 12.A N GLU 8.A O no hydrogen 3.048 N/A GLN 12.A NE2 ASP 206.A O no hydrogen 3.001 N/A LEU 13.A N ILE 9.A O no hydrogen 2.818 N/A THR 14.A N ALA 10.A O no hydrogen 2.887 N/A THR 14.A OG1 ALA 10.A O no hydrogen 2.768 N/A LEU 15.A N GLU 11.A O no hydrogen 2.955 N/A LEU 16.A N GLN 12.A O no hydrogen 3.039 N/A ASP 17.A N LEU 13.A O no hydrogen 2.751 N/A HIS 18.A N THR 14.A O no hydrogen 2.865 N/A HIS 18.A NE2 PHE 198.A O no hydrogen 2.965 N/A LEU 19.A N LEU 15.A O no hydrogen 3.025 N/A VAL 20.A N LEU 16.A O no hydrogen 3.296 N/A PHE 21.A N ASP 17.A O no hydrogen 3.225 N/A LYS 22.A N HIS 18.A O no hydrogen 2.923 N/A LYS 22.A NZ GLN 199.A O no hydrogen 3.354 N/A SER 23.A N LEU 19.A O no hydrogen 3.247 N/A SER 23.A OG LEU 19.A O no hydrogen 2.871 N/A GLU 28.A N PRO 25.A O no hydrogen 2.887 N/A PHE 29.A N TYR 26.A O no hydrogen 3.165 N/A PHE 30.A N GLU 27.A O no hydrogen 3.154 N/A GLY 31.A N GLU 168.A OE2 no hydrogen 3.104 N/A MET 35.A N GLN 32.A O no hydrogen 2.974 N/A LYS 36.A N GLY 33.A O no hydrogen 3.066 N/A LYS 39.A N LYS 36.A O no hydrogen 3.105 N/A GLU 41.A N GLU 38.A O no hydrogen 3.023 N/A ARG 42.A N GLU 38.A O no hydrogen 2.804 N/A THR 43.A N LYS 39.A O no hydrogen 2.712 N/A THR 43.A OG1 LYS 39.A O no hydrogen 2.993 N/A TYR 45.A N GLU 28.A OE2 no hydrogen 3.029 N/A ILE 46.A N GLU 28.A OE1 no hydrogen 2.865 N/A MET 47.A N THR 43.A O no hydrogen 3.147 N/A LYS 48.A N PRO 44.A O no hydrogen 2.917 N/A THR 49.A N TYR 45.A O no hydrogen 3.032 N/A THR 49.A OG1 VAL 20.A O no hydrogen 3.513 N/A THR 49.A OG1 TYR 45.A O no hydrogen 3.074 N/A THR 50.A N ILE 46.A O no hydrogen 3.035 N/A THR 50.A OG1 ILE 46.A O no hydrogen 3.311 N/A LYS 51.A N MET 47.A O no hydrogen 2.855 N/A HIS 52.A N LYS 48.A O no hydrogen 2.831 N/A PHE 53.A N THR 49.A O no hydrogen 2.993 N/A ASN 54.A N THR 50.A O no hydrogen 3.122 N/A HIS 55.A N LYS 51.A O no hydrogen 2.910 N/A HIS 55.A NE2 LEU 215.A O no hydrogen 3.264 N/A VAL 56.A N HIS 52.A O no hydrogen 3.060 N/A SER 57.A N PHE 53.A O no hydrogen 3.101 N/A ASN 58.A N ASN 54.A O no hydrogen 2.885 N/A ASN 58.A ND2 ASN 54.A O no hydrogen 2.892 N/A PHE 59.A N HIS 55.A O no hydrogen 2.694 N/A ILE 60.A N VAL 56.A O no hydrogen 3.048 N/A ALA 61.A N SER 57.A O no hydrogen 3.207 N/A SER 62.A N ASN 58.A O no hydrogen 3.054 N/A SER 62.A OG ASN 58.A O no hydrogen 2.869 N/A GLU 63.A N PHE 59.A O no hydrogen 3.082 N/A ILE 64.A N ILE 60.A O no hydrogen 3.075 N/A ILE 65.A N ALA 61.A O no hydrogen 2.925 N/A ARG 66.A N SER 62.A O no hydrogen 2.854 N/A ARG 66.A NH1 PHE 220.A O no hydrogen 2.977 N/A ASN 67.A N ILE 64.A O no hydrogen 3.304 N/A ASN 67.A ND2 GLU 63.A O no hydrogen 2.877 N/A ALA 72.A N ASP 69.A OD1 no hydrogen 2.957 N/A ARG 73.A N ASP 69.A O no hydrogen 3.091 N/A ARG 73.A NE THR 114.A OG1 no hydrogen 3.392 N/A ARG 73.A NH1 ASN 67.A O no hydrogen 2.898 N/A ARG 73.A NH1 GLU 68.A O no hydrogen 3.536 N/A ALA 74.A N ILE 70.A O no hydrogen 2.973 N/A SER 75.A N SER 71.A O no hydrogen 3.067 N/A SER 75.A OG SER 71.A O no hydrogen 3.061 N/A SER 75.A OG ALA 72.A O no hydrogen 3.030 N/A ALA 76.A N ALA 72.A O no hydrogen 2.980 N/A ALA 76.A N ARG 73.A O no hydrogen 3.136 N/A ILE 77.A N ARG 73.A O no hydrogen 3.128 N/A GLU 78.A N ALA 74.A O no hydrogen 2.917 N/A LYS 79.A N SER 75.A O no hydrogen 2.944 N/A LYS 79.A NZ GLU 63.A OE2 no hydrogen 2.519 N/A TRP 80.A N ALA 76.A O no hydrogen 3.029 N/A TRP 80.A NE1 GLU 63.A OE2 no hydrogen 2.967 N/A VAL 81.A N ILE 77.A O no hydrogen 2.981 N/A ALA 82.A N GLU 78.A O no hydrogen 3.142 N/A VAL 83.A N LYS 79.A O no hydrogen 2.974 N/A ALA 84.A N TRP 80.A O no hydrogen 2.877 N/A ASP 85.A N VAL 81.A O no hydrogen 3.001 N/A ILE 86.A N ALA 82.A O no hydrogen 3.065 N/A CYS 87.A N VAL 83.A O no hydrogen 2.862 N/A CYS 87.A SG ALA 10.A O no hydrogen 3.993 N/A CYS 87.A SG VAL 83.A O no hydrogen 3.329 N/A ARG 88.A N ALA 84.A O no hydrogen 2.919 N/A CYS 89.A N ASP 85.A O no hydrogen 3.108 N/A CYS 89.A SG ASP 85.A O no hydrogen 3.628 N/A LEU 90.A N ILE 86.A O no hydrogen 3.012 N/A LEU 90.A N CYS 87.A O no hydrogen 3.148 N/A HIS 91.A N ARG 88.A O no hydrogen 3.140 N/A ASN 92.A N CYS 87.A O no hydrogen 2.757 N/A ASN 92.A ND2 THR 14.A OG1 no hydrogen 2.871 N/A ASN 92.A ND2 ASP 17.A OD2 no hydrogen 3.004 N/A TYR 93.A OH SER 145.A OG no hydrogen 2.672 N/A ASN 94.A N VAL 154.A O no hydrogen 3.066 N/A ASN 94.A ND2 ASP 17.A OD1 no hydrogen 2.589 N/A ALA 95.A N ASN 92.A OD1 no hydrogen 2.828 N/A VAL 96.A N ASN 92.A O no hydrogen 3.312 N/A LEU 97.A N TYR 93.A O no hydrogen 2.995 N/A GLU 98.A N ASN 94.A O no hydrogen 2.922 N/A ILE 99.A N ALA 95.A O no hydrogen 2.897 N/A THR 100.A N VAL 96.A O no hydrogen 3.043 N/A THR 100.A OG1 VAL 96.A O no hydrogen 2.820 N/A THR 100.A OG1 LEU 97.A O no hydrogen 3.531 N/A SER 101.A N LEU 97.A O no hydrogen 2.874 N/A SER 101.A OG LEU 97.A O no hydrogen 2.742 N/A SER 101.A OG GLU 98.A O no hydrogen 3.219 N/A SER 102.A N GLU 98.A O no hydrogen 3.173 N/A SER 102.A OG SER 57.A O no hydrogen 2.523 N/A ILE 103.A N ILE 99.A O no hydrogen 3.029 N/A ASN 104.A N THR 100.A O no hydrogen 3.134 N/A ASN 104.A N SER 101.A O no hydrogen 3.288 N/A ASN 104.A ND2 GLN 130.A OE1 no hydrogen 3.048 N/A ARG 105.A N SER 102.A O no hydrogen 2.993 N/A ARG 105.A NH1 SER 57.A O no hydrogen 3.496 N/A ARG 105.A NH1 SER 57.A OG no hydrogen 3.086 N/A ILE 108.A N ARG 105.A O no hydrogen 2.981 N/A PHE 109.A N ARG 105.A O no hydrogen 2.797 N/A ARG 110.A N SER 106.A O no hydrogen 3.024 N/A ARG 110.A NH1 SER 231.A OG no hydrogen 3.016 N/A ARG 110.A NH1 GLU 235.A O no hydrogen 2.804 N/A ARG 110.A NH2 GLU 235.A O no hydrogen 2.843 N/A LEU 111.A N ILE 108.A O no hydrogen 3.254 N/A LYS 112.A N ARG 110.A O no hydrogen 2.739 N/A LYS 113.A N GLU 235.A OE1 no hydrogen 3.254 N/A LYS 113.A N GLU 235.A OE2 no hydrogen 3.239 N/A THR 114.A N LEU 111.A O no hydrogen 2.905 N/A TRP 115.A N LEU 111.A O no hydrogen 3.130 N/A TRP 115.A NE1 ILE 108.A O no hydrogen 2.949 N/A LEU 116.A N LYS 112.A O no hydrogen 3.219 N/A LYS 117.A N THR 114.A O no hydrogen 2.974 N/A LYS 117.A NZ SER 71.A OG no hydrogen 3.406 N/A VAL 118.A N TRP 115.A O no hydrogen 3.107 N/A SER 119.A N GLU 78.A OE2 no hydrogen 2.631 N/A SER 119.A OG GLU 78.A OE2 no hydrogen 3.260 N/A THR 122.A N SER 119.A OG no hydrogen 3.098 N/A THR 122.A OG1 SER 119.A OG no hydrogen 2.650 N/A LYS 123.A N SER 119.A O no hydrogen 2.978 N/A LYS 123.A NZ TRP 115.A O no hydrogen 3.059 N/A SER 124.A N LYS 120.A O no hydrogen 3.054 N/A LEU 125.A N GLN 121.A O no hydrogen 2.903 N/A LEU 126.A N THR 122.A O no hydrogen 2.924 N/A ASP 127.A N LYS 123.A O no hydrogen 3.181 N/A LYS 128.A N SER 124.A O no hydrogen 3.206 N/A LEU 129.A N LEU 125.A O no hydrogen 3.099 N/A GLN 130.A N LEU 126.A O no hydrogen 2.800 N/A LYS 131.A N ASP 127.A O no hydrogen 3.069 N/A LYS 131.A NZ ASP 127.A OD1 no hydrogen 2.916 N/A LYS 131.A NZ ASP 127.A OD2 no hydrogen 2.716 N/A LEU 132.A N LYS 128.A O no hydrogen 2.929 N/A VAL 133.A N LEU 129.A O no hydrogen 3.185 N/A SER 134.A N LYS 131.A O no hydrogen 3.207 N/A ASP 136.A N SER 134.A OG no hydrogen 3.109 N/A PHE 139.A N SER 135.A O no hydrogen 2.992 N/A LYS 140.A N ASP 136.A O no hydrogen 3.074 N/A ASN 141.A ND2 LYS 131.A O no hydrogen 3.072 N/A ARG 143.A N PHE 139.A O no hydrogen 2.786 N/A ARG 143.A NH1 ASP 163.A OD1 no hydrogen 2.828 N/A ARG 143.A NH2 ARG 138.A O no hydrogen 3.116 N/A ARG 143.A NH2 ASP 163.A OD1 no hydrogen 3.453 N/A ARG 143.A NH2 ASP 163.A OD2 no hydrogen 2.984 N/A GLU 144.A N LYS 140.A O no hydrogen 2.980 N/A SER 145.A N ASN 141.A O no hydrogen 2.972 N/A SER 145.A OG TYR 93.A OH no hydrogen 2.672 N/A LEU 146.A N LEU 142.A O no hydrogen 2.879 N/A ARG 147.A N ARG 143.A O no hydrogen 2.905 N/A ARG 147.A N GLU 144.A O no hydrogen 3.225 N/A ARG 147.A NE GLU 144.A OE1 no hydrogen 2.950 N/A ARG 147.A NH2 GLU 144.A OE1 no hydrogen 3.447 N/A ARG 147.A NH2 GLU 144.A OE2 no hydrogen 2.634 N/A ASN 148.A ND2 GLU 144.A OE2 no hydrogen 3.042 N/A CYS 153.A SG HIS 91.A O no hydrogen 3.498 N/A VAL 154.A N HIS 91.A O no hydrogen 2.953 N/A LEU 161.A N LEU 157.A O no hydrogen 3.018 N/A THR 162.A N GLY 158.A O no hydrogen 2.981 N/A THR 162.A OG1 GLY 158.A O no hydrogen 3.032 N/A ASP 163.A N MET 159.A O no hydrogen 3.144 N/A LEU 164.A N TYR 160.A O no hydrogen 2.982 N/A VAL 165.A N LEU 161.A O no hydrogen 2.941 N/A PHE 166.A N THR 162.A O no hydrogen 2.972 N/A ILE 167.A N ASP 163.A O no hydrogen 3.147 N/A GLU 168.A N LEU 164.A O no hydrogen 2.826 N/A GLU 169.A N VAL 165.A O no hydrogen 2.832 N/A GLY 170.A N PHE 166.A O no hydrogen 3.143 N/A THR 171.A OG1 ILE 167.A O no hydrogen 3.443 N/A THR 175.A N LEU 179.A O no hydrogen 2.621 N/A THR 175.A OG1 ASP 177.A OD2 no hydrogen 3.457 N/A ASP 177.A N THR 175.A OG1 no hydrogen 3.211 N/A GLY 178.A N THR 175.A O no hydrogen 2.779 N/A LEU 179.A N THR 175.A OG1 no hydrogen 3.413 N/A ASN 181.A N ASN 173.A O no hydrogen 2.746 N/A LYS 184.A N ASN 181.A O no hydrogen 3.008 N/A LYS 184.A NZ GLU 168.A O no hydrogen 3.249 N/A LYS 184.A NZ GLU 168.A OE1 no hydrogen 2.904 N/A LYS 184.A NZ THR 171.A O no hydrogen 2.809 N/A LYS 184.A NZ ASN 173.A OD1 no hydrogen 3.093 N/A MET 185.A N ASN 181.A O no hydrogen 3.281 N/A ARG 186.A N PHE 182.A O no hydrogen 3.060 N/A MET 187.A N SER 183.A O no hydrogen 3.217 N/A ILE 188.A N LYS 184.A O no hydrogen 3.089 N/A SER 189.A N MET 185.A O no hydrogen 2.959 N/A SER 189.A OG MET 185.A O no hydrogen 3.148 N/A HIS 190.A N ARG 186.A O no hydrogen 2.931 N/A ILE 192.A N ILE 188.A O no hydrogen 3.078 N/A ARG 193.A N SER 189.A O no hydrogen 2.707 N/A GLU 194.A N HIS 190.A O no hydrogen 3.443 N/A ILE 195.A N ILE 191.A O no hydrogen 3.265 N/A ARG 196.A N ILE 192.A O no hydrogen 2.866 N/A GLN 197.A N ARG 193.A O no hydrogen 3.065 N/A PHE 198.A N GLU 194.A O no hydrogen 3.317 N/A GLN 199.A N ILE 195.A O no hydrogen 3.061 N/A GLN 199.A NE2 PHE 21.A O no hydrogen 2.960 N/A GLN 199.A NE2 ILE 24.A O no hydrogen 3.061 N/A GLN 200.A N ARG 196.A O no hydrogen 2.993 N/A TYR 203.A OH LEU 90.A O no hydrogen 2.880 N/A GLN 208.A N GLN 12.A OE1 no hydrogen 2.853 N/A ILE 212.A N GLN 208.A O no hydrogen 2.911 N/A GLN 213.A N PRO 209.A O no hydrogen 2.808 N/A TYR 214.A N LYS 210.A O no hydrogen 3.159 N/A TYR 214.A OH GLU 63.A OE1 no hydrogen 2.682 N/A TYR 214.A OH GLU 63.A OE2 no hydrogen 3.320 N/A LEU 215.A N VAL 211.A O no hydrogen 2.968 N/A LEU 216.A N ILE 212.A O no hydrogen 2.887 N/A SER 219.A N ASP 217.A OD2 no hydrogen 2.830 N/A SER 219.A OG ASP 217.A OD1 no hydrogen 2.737 N/A SER 219.A OG ASP 217.A OD2 no hydrogen 2.856 N/A MET 221.A N GLU 218.A O no hydrogen 3.136 N/A LEU 222.A N SER 62.A OG no hydrogen 2.977 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.560 N/A SER 226.A N ASP 223.A OD1 no hydrogen 2.851 N/A SER 226.A OG ASP 223.A OD1 no hydrogen 2.790 N/A LEU 227.A N ASP 223.A O no hydrogen 2.936 N/A TYR 228.A N GLU 224.A O no hydrogen 3.393 N/A GLU 229.A N GLU 225.A O no hydrogen 2.930 N/A SER 230.A N SER 226.A O no hydrogen 2.802 N/A SER 230.A OG SER 226.A O no hydrogen 2.731 N/A SER 231.A N LEU 227.A O no hydrogen 3.033 N/A SER 231.A OG ALA 107.A O no hydrogen 2.789 N/A LEU 232.A N TYR 228.A O no hydrogen 3.079 N/A LEU 233.A N GLU 229.A O no hydrogen 3.353 N/A LEU 233.A N SER 230.A O no hydrogen 2.921 N/A ILE 234.A N SER 230.A O no hydrogen 2.960 N/A ILE 234.A N SER 231.A O no hydrogen 3.152 N/A GLU 235.A N SER 231.A O no hydrogen 2.927 N/A LYS 237.A NZ TYR 228.A OH no hydrogen 3.252 N/A