Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8s99_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N SER 59.A OG no hydrogen 2.791 N/A VAL 7.A N VAL 75.A O no hydrogen 2.864 N/A ASP 8.A N.A GLU 11.A OE2.A no hydrogen 2.974 N/A ASP 8.A N.B GLU 11.A OE2.A no hydrogen 2.994 N/A LYS 10.A N.A ASP 8.A OD1.A no hydrogen 2.947 N/A LYS 10.A N.B ASP 8.A OD1.A no hydrogen 2.946 N/A GLU 11.A N.A ASP 8.A O.A no hydrogen 2.886 N/A GLU 11.A N.A ASP 8.A O.B no hydrogen 2.912 N/A GLU 11.A N.B ASP 8.A O.A no hydrogen 3.034 N/A GLU 11.A N.B ASP 8.A O.B no hydrogen 3.061 N/A ILE 12.A N GLN 9.A O no hydrogen 3.266 N/A THR 13.A N ARG 30.A O no hydrogen 2.963 N/A LEU 15.A N GLU 28.A O no hydrogen 2.753 N/A HIS 17.A NE2 ASN 25.A OD1 no hydrogen 2.801 N/A LEU 18.A N VAL 26.A O no hydrogen 2.724 N/A GLY 19.A N VAL 26.A O no hydrogen 3.342 N/A GLY 21.A N THR 24.A O no hydrogen 2.968 N/A ARG 23.A NE.A GLU 170.A OE1 no hydrogen 2.650 N/A ARG 23.A NE.B GLU 170.A OE1 no hydrogen 3.051 N/A ARG 23.A NE.B GLU 170.A OE2 no hydrogen 3.367 N/A ARG 23.A NH2.A GLU 170.A OE1 no hydrogen 3.502 N/A ARG 23.A NH2.A GLU 170.A OE2 no hydrogen 2.735 N/A ARG 23.A NH2.B GLU 170.A OE2 no hydrogen 2.865 N/A THR 24.A N GLY 21.A O no hydrogen 3.142 N/A ASN 25.A N VAL 42.A O no hydrogen 2.935 N/A VAL 26.A N GLY 19.A O no hydrogen 2.807 N/A TYR 27.A N LEU 40.A O no hydrogen 2.854 N/A GLU 28.A N SER 16.A O no hydrogen 2.882 N/A GLY 29.A N VAL 38.A O no hydrogen 2.800 N/A ARG 30.A N THR 13.A O no hydrogen 2.960 N/A ARG 30.A NH1 GLU 28.A OE2 no hydrogen 2.856 N/A ARG 30.A NH1 GLY 29.A O no hydrogen 3.089 N/A LEU 31.A N LEU 36.A O no hydrogen 2.826 N/A ARG 32.A N GLU 11.A O.A no hydrogen 2.730 N/A ARG 32.A N GLU 11.A O.B no hydrogen 2.731 N/A ARG 32.A NH1 THR 13.A OG1 no hydrogen 2.748 N/A ARG 32.A NH1 GLU 35.A OE1 no hydrogen 2.567 N/A ARG 32.A NH2 LYS 10.A O.A no hydrogen 2.810 N/A ARG 32.A NH2 LYS 10.A O.B no hydrogen 3.034 N/A VAL 33.A N GLN 34.A O no hydrogen 3.191 N/A LEU 36.A N LEU 31.A O no hydrogen 2.824 N/A ARG 37.A NE GLU 28.A OE2 no hydrogen 2.998 N/A VAL 38.A N GLY 29.A O no hydrogen 3.019 N/A VAL 39.A N THR 86.A O no hydrogen 2.841 N/A LEU 40.A N TYR 27.A O no hydrogen 2.741 N/A LYS 41.A N MET 84.A O no hydrogen 2.766 N/A LYS 41.A NZ ASP 158.A OD2 no hydrogen 2.883 N/A VAL 42.A N ASN 25.A O no hydrogen 2.761 N/A LEU 43.A N ASN 82.A O no hydrogen 2.967 N/A ASP 44.A N ARG 23.A O.A no hydrogen 2.727 N/A ASP 44.A N ARG 23.A O.B no hydrogen 2.802 N/A SER 46.A OG ASP 44.A O no hydrogen 2.783 N/A ASP 49.A N HIS 47.A ND1 no hydrogen 3.041 N/A ILE 50.A N HIS 47.A O no hydrogen 2.973 N/A ALA 51.A N HIS 47.A O no hydrogen 3.251 N/A LEU 52.A N HIS 48.A O no hydrogen 2.756 N/A ALA 53.A N ASP 49.A O no hydrogen 3.066 N/A PHE 54.A N ILE 50.A O no hydrogen 2.917 N/A TYR 55.A N ALA 51.A O no hydrogen 2.932 N/A TYR 55.A OH ASN 82.A OD1 no hydrogen 2.505 N/A GLU 56.A N LEU 52.A O no hydrogen 2.788 N/A THR 57.A N ALA 53.A O no hydrogen 3.198 N/A THR 57.A OG1 ALA 53.A O no hydrogen 3.448 N/A THR 57.A OG1 GLY 160.A O no hydrogen 2.600 N/A ALA 58.A N PHE 54.A O no hydrogen 3.134 N/A SER 59.A N TYR 55.A O no hydrogen 2.881 N/A SER 59.A OG SER 3.A O no hydrogen 3.455 N/A LEU 60.A N GLU 56.A O no hydrogen 2.940 N/A MET 61.A N THR 57.A O no hydrogen 2.946 N/A SER 62.A N ALA 58.A O no hydrogen 2.987 N/A SER 62.A N SER 59.A O no hydrogen 3.275 N/A SER 62.A OG ALA 58.A O no hydrogen 2.531 N/A GLN 63.A N.A LEU 60.A O no hydrogen 3.254 N/A GLN 63.A N.B LEU 60.A O no hydrogen 3.220 N/A GLN 63.A NE2.A SER 3.A O no hydrogen 3.364 N/A GLN 63.A NE2.A SER 59.A O no hydrogen 3.094 N/A SER 65.A N TYR 123.A OH no hydrogen 3.044 N/A HIS 68.A N HIS 66.A ND1 no hydrogen 3.042 N/A HIS 68.A ND1 ILE 154.A O no hydrogen 2.776 N/A LEU 69.A N HIS 66.A O no hydrogen 2.979 N/A ALA 70.A N LEU 156.A O no hydrogen 2.810 N/A PHE 71.A N GLU 87.A OE1 no hydrogen 2.837 N/A HIS 73.A N VAL 85.A O no hydrogen 2.770 N/A GLY 74.A N VAL 85.A O no hydrogen 3.378 N/A VAL 75.A N HIS 5.A O.A no hydrogen 2.956 N/A VAL 75.A N HIS 5.A O.B no hydrogen 2.977 N/A CYS 76.A N ILE 83.A O no hydrogen 2.699 N/A CYS 76.A SG VAL 7.A O no hydrogen 3.375 N/A CYS 76.A SG VAL 77.A O no hydrogen 3.959 N/A ARG 78.A N GLU 81.A O no hydrogen 2.928 N/A ARG 78.A NH2 GLU 81.A OE2 no hydrogen 3.511 N/A GLU 81.A N ARG 78.A O no hydrogen 3.404 N/A ILE 83.A N CYS 76.A O no hydrogen 2.740 N/A MET 84.A N LYS 41.A O no hydrogen 2.858 N/A VAL 85.A N GLY 74.A O no hydrogen 2.912 N/A THR 86.A N VAL 39.A O no hydrogen 2.968 N/A GLU 87.A N PHE 71.A O no hydrogen 2.824 N/A HIS 91.A N LEU 141.A O no hydrogen 2.787 N/A GLY 92.A N VAL 89.A O no hydrogen 3.158 N/A LEU 94.A N ILE 139.A O no hydrogen 2.729 N/A ASP 95.A N GLY 136.A O no hydrogen 3.385 N/A TRP 97.A N PRO 93.A O no hydrogen 3.223 N/A LEU 98.A N LEU 94.A O no hydrogen 2.849 N/A ARG 99.A N ASP 95.A O no hydrogen 3.125 N/A ARG 99.A NH1 ASP 95.A OD2 no hydrogen 3.299 N/A ARG 99.A NH1 GLY 204.A O no hydrogen 2.786 N/A ARG 99.A NH2 ASP 95.A OD2 no hydrogen 3.258 N/A ARG 100.A N VAL 96.A O.A no hydrogen 3.016 N/A ARG 100.A N VAL 96.A O.B no hydrogen 3.078 N/A GLU 101.A N TRP 97.A O no hydrogen 2.910 N/A HIS 104.A N GLU 101.A O no hydrogen 3.067 N/A TRP 109.A NE1 LEU 144.A O no hydrogen 2.799 N/A LYS 110.A N PRO 106.A O no hydrogen 3.307 N/A LYS 110.A NZ ILE 200.A O no hydrogen 3.189 N/A LYS 110.A NZ CYS 201.A O no hydrogen 3.096 N/A LYS 110.A NZ ASP 203.A OD1 no hydrogen 2.711 N/A MET 111.A N MET 107.A O no hydrogen 2.900 N/A VAL 112.A N ALA 108.A O no hydrogen 3.091 N/A VAL 113.A N TRP 109.A O no hydrogen 3.190 N/A ALA 114.A N LYS 110.A O no hydrogen 2.976 N/A GLN 115.A N.A MET 111.A O no hydrogen 3.039 N/A GLN 115.A N.B MET 111.A O no hydrogen 3.045 N/A GLN 115.A NE2.A LEU 259.A O no hydrogen 3.041 N/A GLN 116.A N VAL 112.A O no hydrogen 2.982 N/A GLN 116.A NE2 PRO 152.A O no hydrogen 2.936 N/A LEU 117.A N VAL 113.A O no hydrogen 2.923 N/A ALA 118.A N ALA 114.A O no hydrogen 2.911 N/A SER 119.A N.A GLN 115.A O.A no hydrogen 2.940 N/A SER 119.A N.A GLN 115.A O.B no hydrogen 2.919 N/A SER 119.A N.A GLN 116.A O no hydrogen 3.166 N/A SER 119.A N.B GLN 115.A O.A no hydrogen 2.899 N/A SER 119.A N.B GLN 115.A O.B no hydrogen 2.877 N/A SER 119.A OG.A GLN 116.A O no hydrogen 2.809 N/A SER 119.A OG.B GLN 115.A O.A no hydrogen 3.222 N/A SER 119.A OG.B GLN 115.A O.B no hydrogen 3.219 N/A ALA 120.A N GLN 116.A O no hydrogen 3.106 N/A LEU 121.A N LEU 117.A O no hydrogen 3.038 N/A SER 122.A N ALA 118.A O no hydrogen 2.778 N/A TYR 123.A N SER 119.A O.A no hydrogen 3.193 N/A TYR 123.A N SER 119.A O.B no hydrogen 3.107 N/A LEU 124.A N ALA 120.A O no hydrogen 3.031 N/A GLU 125.A N LEU 121.A O no hydrogen 2.765 N/A ASN 126.A N SER 122.A O no hydrogen 3.024 N/A LYS 127.A N TYR 123.A O no hydrogen 3.044 N/A ASN 128.A N GLU 125.A O no hydrogen 2.871 N/A LEU 129.A N LEU 124.A O no hydrogen 2.977 N/A HIS 131.A N ASP 189.A OD2 no hydrogen 2.765 N/A HIS 131.A NE2 SER 157.A O no hydrogen 2.722 N/A GLY 132.A N ASP 189.A OD1 no hydrogen 2.808 N/A ASN 133.A N HIS 131.A ND1 no hydrogen 3.116 N/A ASN 133.A ND2 PRO 159.A O no hydrogen 3.127 N/A CYS 135.A SG ASN 133.A O no hydrogen 3.707 N/A CYS 135.A SG ASN 133.A OD1 no hydrogen 3.924 N/A GLY 136.A N GLU 199.A OE1 no hydrogen 2.684 N/A ARG 137.A NE ASP 95.A OD1 no hydrogen 2.931 N/A ARG 137.A NE ASP 95.A OD2 no hydrogen 3.359 N/A ARG 137.A NH2 ASP 95.A OD2 no hydrogen 2.920 N/A ASN 138.A N CYS 135.A O no hydrogen 3.052 N/A ASN 138.A ND2 ASN 133.A O no hydrogen 2.835 N/A ILE 139.A N GLY 136.A O no hydrogen 3.055 N/A LEU 140.A N LYS 155.A O no hydrogen 2.765 N/A LEU 141.A N GLY 92.A O no hydrogen 2.950 N/A ALA 142.A N PHE 153.A O no hydrogen 2.775 N/A ARG 143.A N PHE 153.A O no hydrogen 3.214 N/A ARG 143.A NE SER 151.A O no hydrogen 2.752 N/A ARG 143.A NH2 SER 151.A O no hydrogen 3.070 N/A ARG 143.A NH2 PRO 152.A O no hydrogen 3.550 N/A THR 150.A N ALA 147.A O no hydrogen 3.020 N/A THR 150.A OG1 ALA 147.A O no hydrogen 2.531 N/A PHE 153.A N ARG 143.A O no hydrogen 3.161 N/A ILE 154.A N GLN 116.A OE1 no hydrogen 2.973 N/A LYS 155.A N LEU 140.A O no hydrogen 2.813 N/A LYS 155.A NZ THR 67.A O no hydrogen 2.828 N/A LEU 156.A N HIS 68.A O no hydrogen 2.726 N/A SER 157.A N ASN 138.A O no hydrogen 2.764 N/A SER 157.A OG ASP 158.A O no hydrogen 2.850 N/A GLY 160.A N ASP 158.A OD1 no hydrogen 2.900 N/A ALA 165.A N GLY 162.A O no hydrogen 3.030 N/A LEU 166.A N LEU 163.A O no hydrogen 3.099 N/A SER 167.A N GLU 170.A OE2 no hydrogen 2.967 N/A SER 167.A OG GLU 170.A OE2 no hydrogen 3.223 N/A ARG 168.A NE GLU 217.A OE1 no hydrogen 2.872 N/A ARG 168.A NH2 GLU 217.A OE1 no hydrogen 2.733 N/A GLU 170.A N SER 167.A OG no hydrogen 3.211 N/A ARG 171.A N SER 167.A O no hydrogen 3.050 N/A ARG 171.A NE CYS 182.A O no hydrogen 2.942 N/A ARG 171.A NE LEU 183.A O no hydrogen 3.078 N/A ARG 171.A NH1 LEU 166.A O no hydrogen 3.280 N/A ARG 171.A NH2 LEU 183.A O no hydrogen 2.679 N/A VAL 172.A N ARG 168.A O no hydrogen 2.857 N/A GLU 173.A N GLU 169.A O no hydrogen 3.072 N/A ARG 174.A N ARG 171.A O no hydrogen 3.055 N/A ARG 174.A NH2 THR 22.A OG1 no hydrogen 2.960 N/A ILE 175.A N VAL 172.A O no hydrogen 3.030 N/A TRP 177.A NE1 GLU 199.A OE1 no hydrogen 2.882 N/A LEU 178.A N ARG 174.A O no hydrogen 2.892 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.821 N/A CYS 182.A N ALA 179.A O no hydrogen 2.884 N/A LEU 183.A N PRO 180.A O no hydrogen 3.150 N/A ALA 187.A N SER 185.A OG no hydrogen 3.107 N/A MET 188.A N SER 185.A O no hydrogen 3.141 N/A ASP 189.A N THR 186.A O no hydrogen 2.974 N/A LYS 190.A N ALA 187.A O no hydrogen 3.159 N/A LYS 190.A NZ GLU 125.A OE2 no hydrogen 2.753 N/A TRP 191.A N ALA 187.A O no hydrogen 3.495 N/A TRP 191.A NE1 PRO 176.A O no hydrogen 2.781 N/A GLY 192.A N MET 188.A O no hydrogen 2.996 N/A PHE 193.A N ASP 189.A O no hydrogen 2.802 N/A GLY 194.A N LYS 190.A O no hydrogen 3.013 N/A ALA 195.A N TRP 191.A O no hydrogen 2.904 N/A THR 196.A N GLY 192.A O no hydrogen 2.920 N/A THR 196.A OG1 GLY 192.A O no hydrogen 2.709 N/A LEU 197.A N PHE 193.A O no hydrogen 2.798 N/A LEU 198.A N GLY 194.A O no hydrogen 3.181 N/A GLU 199.A N ALA 195.A O no hydrogen 2.963 N/A ILE 200.A N THR 196.A O no hydrogen 2.861 N/A CYS 201.A N LEU 197.A O no hydrogen 2.837 N/A CYS 201.A SG LEU 197.A O no hydrogen 3.263 N/A PHE 202.A N LEU 198.A O no hydrogen 2.818 N/A ASP 203.A N ILE 200.A O no hydrogen 3.014 N/A GLY 204.A N GLU 199.A O no hydrogen 2.835 N/A GLU 205.A N PHE 202.A O no hydrogen 3.141 N/A ARG 211.A N LEU 208.A O no hydrogen 3.266 N/A SER 212.A N GLU 215.A OE1.B no hydrogen 2.851 N/A SER 212.A OG SER 214.A OG no hydrogen 3.256 N/A SER 212.A OG GLU 215.A OE1.B no hydrogen 3.324 N/A SER 214.A OG SER 212.A OG no hydrogen 3.256 N/A GLU 215.A N.A SER 212.A OG no hydrogen 3.381 N/A GLU 215.A N.B SER 212.A OG no hydrogen 3.351 N/A LYS 216.A N SER 212.A O no hydrogen 2.976 N/A LYS 216.A NZ ILE 175.A O no hydrogen 2.972 N/A GLU 217.A N PRO 213.A O no hydrogen 2.947 N/A HIS 218.A N SER 214.A O no hydrogen 2.903 N/A PHE 219.A N GLU 215.A O.A no hydrogen 3.139 N/A PHE 219.A N GLU 215.A O.B no hydrogen 3.047 N/A TYR 220.A N LYS 216.A O no hydrogen 3.426 N/A TYR 220.A OH LEU 178.A O no hydrogen 2.515 N/A GLN 221.A N GLU 217.A O no hydrogen 3.004 N/A ARG 222.A N HIS 218.A O no hydrogen 2.784 N/A GLN 223.A N TYR 220.A O no hydrogen 2.970 N/A HIS 224.A N PHE 219.A O no hydrogen 3.030 N/A ARG 225.A NH2 SER 239.A OG.B no hydrogen 3.278 N/A ARG 225.A NH2 LEU 242.A O no hydrogen 3.036 N/A ALA 235.A N CYS 231.A O no hydrogen 2.880 N/A THR 236.A N PRO 232.A O no hydrogen 2.970 N/A THR 236.A OG1 PRO 232.A O no hydrogen 2.970 N/A LEU 237.A N GLN 233.A O no hydrogen 3.444 N/A THR 238.A N LEU 234.A O no hydrogen 2.919 N/A THR 238.A OG1 LEU 234.A O no hydrogen 3.365 N/A THR 238.A OG1 ALA 235.A O no hydrogen 3.121 N/A SER 239.A N.A ALA 235.A O no hydrogen 2.933 N/A SER 239.A N.B ALA 235.A O no hydrogen 2.920 N/A SER 239.A OG.A GLU 228.A OE1 no hydrogen 2.669 N/A SER 239.A OG.A ALA 235.A O no hydrogen 2.959 N/A GLN 240.A N THR 236.A O no hydrogen 3.140 N/A CYS 241.A N LEU 237.A O no hydrogen 3.084 N/A CYS 241.A SG LEU 237.A O no hydrogen 3.577 N/A LEU 242.A N THR 238.A O no hydrogen 2.826 N/A THR 243.A OG1 SER 239.A O.A no hydrogen 3.026 N/A THR 243.A OG1 SER 239.A O.B no hydrogen 3.080 N/A THR 243.A OG1 GLN 240.A O no hydrogen 2.904 N/A TYR 244.A OH HIS 224.A O no hydrogen 2.672 N/A THR 247.A N GLU 245.A OE2 no hydrogen 3.079 N/A THR 247.A OG1 GLU 245.A OE2 no hydrogen 2.659 N/A GLN 248.A N.A GLU 245.A O no hydrogen 3.095 N/A GLN 248.A N.B GLU 245.A O no hydrogen 3.108 N/A ARG 249.A N PRO 246.A O no hydrogen 3.209 N/A ARG 249.A NE THR 243.A O no hydrogen 2.814 N/A ARG 249.A NH1 GLU 181.A OE1 no hydrogen 3.482 N/A ARG 249.A NH1 GLU 181.A OE2 no hydrogen 2.831 N/A ARG 249.A NH1 ALA 187.A O no hydrogen 2.915 N/A ARG 249.A NH2 GLU 181.A OE1 no hydrogen 2.791 N/A ARG 249.A NH2 THR 243.A O no hydrogen 3.148 N/A SER 251.A OG THR 254.A OG1 no hydrogen 3.248 N/A PHE 252.A N GLU 125.A OE2 no hydrogen 2.952 N/A THR 254.A N SER 251.A OG no hydrogen 3.113 N/A THR 254.A OG1 SER 251.A OG no hydrogen 3.248 N/A ILE 255.A N SER 251.A O no hydrogen 2.969 N/A LEU 256.A N PHE 252.A O no hydrogen 2.854 N/A ARG 257.A N ARG 253.A O no hydrogen 3.007 N/A ASP 258.A N THR 254.A O no hydrogen 2.866 N/A LEU 259.A N ILE 255.A O no hydrogen 2.947 N/A THR 260.A N LEU 256.A O no hydrogen 3.069 N/A THR 260.A N ARG 257.A O no hydrogen 3.332 N/A THR 260.A OG1 LEU 256.A O no hydrogen 2.808 N/A THR 260.A OG1 ARG 257.A O no hydrogen 3.018 N/A