Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aa5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A NE2 VAL 3.A O no hydrogen 2.939 N/A SER 10.A N SER 7.A OG no hydrogen 3.075 N/A ARG 11.A N SER 7.A O no hydrogen 3.060 N/A ALA 12.A N THR 8.A O no hydrogen 3.218 N/A LEU 13.A N ILE 9.A O no hydrogen 2.989 N/A THR 14.A N SER 10.A O no hydrogen 3.065 N/A THR 14.A OG1 SER 10.A O no hydrogen 2.722 N/A MET 19.A N SER 16.A O no hydrogen 2.821 N/A MET 19.A N SER 16.A OG no hydrogen 3.169 N/A VAL 20.A N SER 16.A O no hydrogen 2.859 N/A LEU 21.A N PRO 17.A O no hydrogen 2.978 N/A GLU 22.A N VAL 18.A O no hydrogen 3.305 N/A ASN 23.A N MET 19.A O no hydrogen 3.022 N/A ILE 24.A N VAL 20.A O no hydrogen 2.862 N/A ALA 31.A N ASP 111.A OD1 no hydrogen 2.959 N/A GLY 32.A N ASP 111.A OD2 no hydrogen 2.620 N/A TYR 33.A N ASP 111.A OD2 no hydrogen 3.116 N/A TYR 33.A OH ASP 39.A OD1 no hydrogen 2.600 N/A TYR 33.A OH ASP 39.A OD2 no hydrogen 3.337 N/A SER 36.A N ASP 34.A OD2 no hydrogen 2.922 N/A SER 36.A OG ASP 34.A OD1 no hydrogen 3.128 N/A SER 36.A OG ASP 34.A OD2 no hydrogen 2.613 N/A LYS 37.A N ASP 34.A O no hydrogen 3.233 N/A LYS 37.A NZ ASN 43.A OD1 no hydrogen 3.276 N/A THR 40.A N PRO 38.A O no hydrogen 2.865 N/A ASN 43.A N THR 40.A OG1 no hydrogen 3.379 N/A ASN 43.A ND2 PRO 38.A O no hydrogen 2.922 N/A LEU 44.A N THR 40.A O no hydrogen 2.864 N/A LEU 45.A N ALA 41.A O no hydrogen 2.866 N/A SER 46.A N GLU 42.A O no hydrogen 3.151 N/A SER 46.A OG GLU 42.A O no hydrogen 2.798 N/A THR 47.A N ASN 43.A O no hydrogen 2.920 N/A THR 47.A OG1 ASN 43.A O no hydrogen 2.927 N/A LEU 48.A N LEU 44.A O no hydrogen 2.933 N/A ASN 49.A N LEU 45.A O no hydrogen 2.861 N/A ASN 49.A ND2 GLU 228.A O no hydrogen 3.043 N/A ARG 50.A N SER 46.A O no hydrogen 2.949 N/A LEU 51.A N THR 47.A O no hydrogen 2.914 N/A ALA 52.A N LEU 48.A O no hydrogen 2.824 N/A GLY 53.A N ASN 49.A O no hydrogen 2.946 N/A LYS 54.A N ARG 50.A O no hydrogen 3.067 N/A LYS 54.A NZ TYR 30.A O no hydrogen 3.029 N/A GLN 55.A N LEU 51.A O no hydrogen 2.793 N/A MET 56.A N ALA 52.A O no hydrogen 2.948 N/A ILE 57.A N GLY 53.A O no hydrogen 3.401 N/A VAL 59.A N GLN 55.A O no hydrogen 2.930 N/A VAL 60.A N MET 56.A O no hydrogen 2.976 N/A LYS 61.A N ILE 57.A O no hydrogen 3.300 N/A TRP 62.A N GLN 58.A O no hydrogen 2.965 N/A ALA 63.A N VAL 59.A O no hydrogen 2.853 N/A LYS 64.A N VAL 60.A O no hydrogen 3.064 N/A PHE 69.A N LEU 66.A O no hydrogen 3.024 N/A ASN 71.A N GLY 68.A O no hydrogen 3.031 N/A LEU 72.A N PHE 69.A O no hydrogen 3.341 N/A ASP 76.A N PRO 73.A O no hydrogen 2.899 N/A GLN 77.A N LEU 74.A O no hydrogen 2.906 N/A ILE 78.A N LEU 74.A O no hydrogen 3.182 N/A THR 79.A N GLU 75.A O no hydrogen 3.226 N/A THR 79.A OG1 GLU 75.A O no hydrogen 2.829 N/A GLN 82.A N ILE 78.A O no hydrogen 2.862 N/A TYR 83.A N THR 79.A O no hydrogen 2.801 N/A SER 84.A N LEU 80.A O no hydrogen 3.056 N/A SER 84.A OG LEU 80.A O no hydrogen 2.908 N/A LEU 88.A N SER 84.A O no hydrogen 2.875 N/A SER 89.A N TRP 85.A O no hydrogen 2.935 N/A SER 89.A OG TRP 85.A O no hydrogen 2.734 N/A SER 90.A N MET 86.A O no hydrogen 2.943 N/A SER 90.A OG.A MET 86.A O no hydrogen 2.587 N/A SER 90.A OG.A SER 87.A O no hydrogen 3.199 N/A PHE 91.A N SER 87.A O no hydrogen 2.977 N/A ALA 92.A N LEU 88.A O no hydrogen 2.956 N/A LEU 93.A N SER 89.A O no hydrogen 2.938 N/A SER 94.A N SER 90.A O no hydrogen 2.996 N/A SER 94.A OG SER 90.A O no hydrogen 3.437 N/A SER 94.A OG MET 131.A O no hydrogen 2.997 N/A TRP 95.A N PHE 91.A O no hydrogen 3.132 N/A ARG 96.A N ALA 92.A O no hydrogen 3.030 N/A ARG 96.A NE TYR 107.A O no hydrogen 3.066 N/A SER 97.A N LEU 93.A O no hydrogen 3.067 N/A SER 97.A OG LEU 93.A O no hydrogen 2.744 N/A TYR 98.A N SER 94.A O no hydrogen 2.879 N/A TYR 98.A OH LEU 143.A O no hydrogen 2.791 N/A LYS 99.A N TRP 95.A O no hydrogen 2.840 N/A HIS 100.A N ARG 96.A O no hydrogen 2.746 N/A THR 101.A N SER 97.A O no hydrogen 2.906 N/A THR 101.A OG1 SER 97.A O no hydrogen 2.617 N/A THR 101.A OG1 PHE 105.A O no hydrogen 3.176 N/A SER 103.A N SER 97.A O no hydrogen 2.817 N/A SER 103.A OG SER 135.A O no hydrogen 2.838 N/A GLN 104.A N THR 101.A O no hydrogen 3.029 N/A PHE 105.A N THR 101.A OG1 no hydrogen 3.080 N/A LEU 106.A N PHE 114.A O no hydrogen 3.112 N/A TYR 107.A N SER 97.A OG no hydrogen 2.952 N/A PHE 108.A N LEU 106.A O no hydrogen 3.151 N/A ALA 109.A N LEU 112.A O no hydrogen 3.163 N/A LEU 112.A N ALA 109.A O no hydrogen 2.788 N/A PHE 114.A N LEU 106.A O no hydrogen 2.806 N/A LYS 118.A N ASN 115.A OD1 no hydrogen 3.194 N/A LYS 118.A NZ ASP 39.A OD2 no hydrogen 2.722 N/A MET 119.A N ASN 115.A O no hydrogen 3.136 N/A HIS 120.A N GLU 116.A O no hydrogen 3.013 N/A GLN 121.A N GLU 117.A O no hydrogen 2.784 N/A SER 122.A N LYS 118.A O no hydrogen 2.809 N/A SER 122.A OG MET 119.A O no hydrogen 2.813 N/A ALA 123.A N HIS 120.A O no hydrogen 2.967 N/A MET 124.A N SER 122.A OG no hydrogen 3.007 N/A TYR 125.A OH GLU 116.A OE1 no hydrogen 2.646 N/A CYS 128.A N MET 124.A O no hydrogen 2.918 N/A CYS 128.A SG MET 124.A O no hydrogen 3.458 N/A GLN 129.A N TYR 125.A O no hydrogen 2.835 N/A GLN 129.A NE2 GLU 116.A OE2 no hydrogen 3.106 N/A GLY 130.A N GLU 126.A O no hydrogen 2.879 N/A MET 131.A N LEU 127.A O no hydrogen 2.926 N/A HIS 132.A N CYS 128.A O no hydrogen 2.836 N/A HIS 132.A NE2 SER 103.A O no hydrogen 2.820 N/A GLN 133.A N GLN 129.A O no hydrogen 2.791 N/A SER 135.A N MET 131.A O no hydrogen 3.359 N/A SER 135.A OG MET 131.A O no hydrogen 3.448 N/A LEU 136.A N HIS 132.A O no hydrogen 2.987 N/A GLN 137.A N GLN 133.A O no hydrogen 3.058 N/A PHE 138.A N ILE 134.A O no hydrogen 3.114 N/A PHE 138.A N SER 135.A O no hydrogen 3.002 N/A VAL 139.A N SER 135.A O no hydrogen 3.395 N/A VAL 139.A N LEU 136.A O no hydrogen 3.042 N/A ARG 140.A N LEU 136.A O no hydrogen 3.176 N/A LEU 141.A N GLN 137.A O no hydrogen 3.023 N/A GLN 142.A N VAL 139.A O no hydrogen 3.233 N/A GLN 142.A NE2 VAL 139.A O no hydrogen 2.632 N/A LEU 143.A N PHE 138.A O no hydrogen 3.086 N/A THR 144.A N GLU 147.A OE2 no hydrogen 3.038 N/A GLU 147.A N THR 144.A OG1 no hydrogen 3.048 N/A TYR 148.A N THR 144.A O no hydrogen 2.851 N/A THR 149.A N PHE 145.A O no hydrogen 2.940 N/A THR 149.A OG1 PHE 145.A O no hydrogen 3.310 N/A THR 149.A OG1 GLU 146.A O no hydrogen 2.879 N/A ILE 150.A N GLU 146.A O no hydrogen 3.279 N/A MET 151.A N GLU 147.A O no hydrogen 2.975 N/A LYS 152.A N TYR 148.A O no hydrogen 2.876 N/A LYS 152.A NZ GLU 25.A OE2 no hydrogen 2.858 N/A VAL 153.A N THR 149.A O no hydrogen 3.306 N/A LEU 154.A N ILE 150.A O no hydrogen 3.148 N/A LEU 155.A N MET 151.A O no hydrogen 3.019 N/A LEU 156.A N LYS 152.A O no hydrogen 3.093 N/A LEU 157.A N VAL 153.A O no hydrogen 3.157 N/A LEU 157.A N LEU 154.A O no hydrogen 2.819 N/A SER 158.A N LEU 155.A O no hydrogen 3.137 N/A SER 158.A OG LEU 155.A O no hydrogen 2.661 N/A ILE 160.A N LYS 250.A O no hydrogen 2.928 N/A LYS 162.A N ASN 248.A O no hydrogen 3.059 N/A GLY 164.A N PRO 161.A O no hydrogen 3.159 N/A LEU 165.A N GLN 168.A OE1 no hydrogen 2.567 N/A LYS 166.A N ASP 76.A OD1 no hydrogen 2.913 N/A SER 167.A N ASP 76.A OD2 no hydrogen 2.959 N/A PHE 171.A N SER 167.A O no hydrogen 2.803 N/A GLU 172.A N GLN 168.A O no hydrogen 2.971 N/A GLU 173.A N ALA 169.A O no hydrogen 3.150 N/A MET 174.A N ALA 170.A O no hydrogen 3.276 N/A ARG 175.A N PHE 171.A O no hydrogen 3.005 N/A ARG 175.A NE LEU 157.A O no hydrogen 3.025 N/A THR 176.A N GLU 172.A O no hydrogen 2.976 N/A THR 176.A OG1 GLU 172.A O no hydrogen 2.796 N/A ASN 177.A N GLU 173.A O no hydrogen 2.902 N/A TYR 178.A N MET 174.A O no hydrogen 3.022 N/A TYR 178.A OH PRO 67.A O no hydrogen 2.775 N/A ILE 179.A N ARG 175.A O no hydrogen 2.927 N/A LYS 180.A N THR 176.A O no hydrogen 2.922 N/A GLU 181.A N ASN 177.A O no hydrogen 2.952 N/A LEU 182.A N TYR 178.A O no hydrogen 3.007 N/A ARG 183.A N ILE 179.A O no hydrogen 2.912 N/A LYS 184.A N LYS 180.A O no hydrogen 2.824 N/A MET 185.A N GLU 181.A O no hydrogen 2.966 N/A VAL 186.A N LEU 182.A O no hydrogen 3.000 N/A THR 187.A N LYS 184.A O no hydrogen 3.382 N/A THR 187.A OG1 ARG 183.A O no hydrogen 2.937 N/A SER 190.A OG VAL 186.A O no hydrogen 3.152 N/A ARG 193.A NE GLU 147.A OE1 no hydrogen 2.512 N/A ARG 193.A NH1 LEU 141.A O no hydrogen 3.019 N/A ARG 193.A NH2 LEU 141.A O no hydrogen 2.999 N/A ARG 193.A NH2 GLU 147.A OE2 no hydrogen 2.700 N/A PHE 194.A N SER 190.A O no hydrogen 3.078 N/A TYR 195.A N TRP 191.A O no hydrogen 2.931 N/A GLN 196.A N GLN 192.A O no hydrogen 3.021 N/A LEU 197.A N ARG 193.A O no hydrogen 2.903 N/A THR 198.A N PHE 194.A O no hydrogen 3.043 N/A THR 198.A OG1 PHE 194.A O no hydrogen 2.891 N/A THR 198.A OG1 TYR 195.A O no hydrogen 2.809 N/A THR 198.A OG1 HIS 255.A NE2 no hydrogen 2.953 N/A LYS 199.A N TYR 195.A O no hydrogen 3.025 N/A LEU 200.A N GLN 196.A O no hydrogen 3.013 N/A LEU 201.A N LEU 197.A O no hydrogen 2.961 N/A ASP 202.A N THR 198.A O no hydrogen 2.951 N/A SER 203.A N LYS 199.A O no hydrogen 2.966 N/A SER 203.A OG LEU 200.A O no hydrogen 2.761 N/A MET 204.A N LEU 201.A O no hydrogen 3.073 N/A HIS 205.A N ASP 202.A O no hydrogen 3.112 N/A HIS 205.A NE2 LEU 252.A O no hydrogen 2.972 N/A LEU 207.A N SER 203.A O no hydrogen 3.468 N/A VAL 208.A N MET 204.A O no hydrogen 2.815 N/A SER 209.A N HIS 205.A O no hydrogen 2.921 N/A SER 209.A OG HIS 205.A O no hydrogen 2.782 N/A ASP 210.A N ASP 206.A O no hydrogen 3.123 N/A LEU 211.A N LEU 207.A O no hydrogen 2.881 N/A LEU 212.A N VAL 208.A O no hydrogen 2.808 N/A GLU 213.A N SER 209.A O no hydrogen 2.949 N/A PHE 214.A N ASP 210.A O no hydrogen 3.249 N/A CYS 215.A N LEU 211.A O no hydrogen 2.780 N/A PHE 216.A N LEU 212.A O no hydrogen 2.729 N/A TYR 217.A N GLU 213.A O no hydrogen 3.123 N/A THR 218.A N PHE 214.A O no hydrogen 2.893 N/A THR 218.A OG1.A PHE 214.A O no hydrogen 3.348 N/A THR 218.A OG1.B PHE 214.A O no hydrogen 3.172 N/A THR 218.A OG1.B CYS 215.A O no hydrogen 3.090 N/A PHE 219.A N CYS 215.A O no hydrogen 2.844 N/A ARG 220.A N PHE 216.A O no hydrogen 2.956 N/A ARG 220.A NH1 GLU 245.A OE1 no hydrogen 3.183 N/A ARG 220.A NH2 GLU 245.A OE1 no hydrogen 3.534 N/A ARG 220.A NH2 GLU 245.A OE2 no hydrogen 2.946 N/A GLU 221.A N TYR 217.A O no hydrogen 3.148 N/A SER 222.A N PHE 219.A O no hydrogen 3.384 N/A LEU 225.A N GLU 221.A O no hydrogen 2.864 N/A LYS 226.A N HIS 223.A O no hydrogen 3.170 N/A VAL 227.A N SER 222.A O no hydrogen 3.005 N/A GLU 228.A N SER 46.A OG no hydrogen 3.006 N/A VAL 234.A N PRO 230.A O no hydrogen 3.014 N/A GLU 235.A N ALA 231.A O no hydrogen 2.976 N/A ILE 236.A N MET 232.A O no hydrogen 3.207 N/A ILE 237.A N LEU 233.A O no hydrogen 2.773 N/A SER 238.A N VAL 234.A O no hydrogen 2.881 N/A SER 238.A OG VAL 234.A O no hydrogen 2.751 N/A ASP 239.A N ILE 236.A O no hydrogen 3.322 N/A GLN 240.A N ILE 236.A O no hydrogen 2.973 N/A LEU 241.A N ILE 237.A O no hydrogen 2.944 N/A VAL 244.A N GLN 240.A O no hydrogen 2.699 N/A GLU 245.A N LEU 241.A O no hydrogen 2.859 N/A SER 246.A N LYS 243.A O no hydrogen 3.183 N/A SER 246.A OG PRO 242.A O no hydrogen 2.686 N/A SER 246.A OG LYS 243.A O no hydrogen 2.931 N/A SER 246.A OG ASN 248.A OD1 no hydrogen 2.441 N/A GLY 247.A N VAL 244.A O no hydrogen 3.154 N/A ASN 248.A N LYS 243.A O no hydrogen 3.170 N/A LYS 250.A N ILE 160.A O no hydrogen 2.574 N/A LEU 252.A N SER 158.A O no hydrogen 2.849 N/A PHE 254.A N ASP 202.A OD1 no hydrogen 3.317 N/A PHE 254.A N ASP 202.A OD2 no hydrogen 2.964 N/A HIS 255.A N ASP 202.A OD1 no hydrogen 2.919 N/A