Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1r8j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG GLN 4.A O no hydrogen 3.329 N/A ILE 5.A N ARG 28.A O no hydrogen 2.833 N/A ALA 6.A N ASP 52.A OD1 no hydrogen 2.809 N/A ILE 7.A N GLN 30.A O no hydrogen 2.797 N/A CYS 8.A N CYS 53.A O no hydrogen 3.010 N/A ILE 9.A N GLN 32.A O no hydrogen 2.752 N/A TRP 10.A N ILE 55.A O no hydrogen 2.853 N/A TRP 10.A NE1 GLU 12.A OE2 no hydrogen 3.004 N/A VAL 11.A N CYS 34.A O no hydrogen 3.136 N/A ILE 16.A N SER 13.A OG no hydrogen 3.183 N/A LEU 17.A N SER 13.A O no hydrogen 3.041 N/A GLN 18.A N THR 14.A O no hydrogen 2.993 N/A ASP 19.A N ALA 15.A O no hydrogen 3.125 N/A CYS 20.A N ILE 16.A O no hydrogen 2.951 N/A CYS 20.A SG ILE 16.A O no hydrogen 3.342 N/A GLN 21.A N LEU 17.A O no hydrogen 2.854 N/A ARG 22.A N GLN 18.A O no hydrogen 2.940 N/A ALA 23.A N ASP 19.A O no hydrogen 3.044 N/A LEU 24.A N CYS 20.A O no hydrogen 3.000 N/A SER 25.A OG ARG 22.A O no hydrogen 3.267 N/A ARG 28.A NE SER 3.A O no hydrogen 2.654 N/A ARG 28.A NH2 SER 3.A O no hydrogen 3.143 N/A TYR 29.A N ALA 26.A O no hydrogen 3.160 N/A GLN 30.A N ILE 5.A O no hydrogen 2.873 N/A GLN 32.A N ILE 7.A O no hydrogen 2.713 N/A CYS 34.A N ILE 9.A O no hydrogen 2.618 N/A MET 39.A N SER 36.A OG no hydrogen 3.214 N/A LEU 40.A N SER 36.A O no hydrogen 2.996 N/A LEU 41.A N GLY 37.A O no hydrogen 2.938 N/A GLU 42.A N GLU 38.A O no hydrogen 3.032 N/A TYR 43.A N MET 39.A O no hydrogen 2.778 N/A ALA 44.A N LEU 40.A O no hydrogen 2.716 N/A GLN 45.A N LEU 41.A O no hydrogen 3.216 N/A THR 46.A N GLU 42.A O no hydrogen 3.112 N/A THR 46.A OG1 GLU 42.A O no hydrogen 2.845 N/A THR 46.A OG1 TYR 43.A O no hydrogen 3.206 N/A THR 46.A OG1 HIS 47.A ND1 no hydrogen 2.938 N/A HIS 47.A N TYR 43.A O no hydrogen 2.786 N/A HIS 47.A ND1 TYR 43.A O no hydrogen 3.198 N/A HIS 47.A ND1 THR 46.A OG1 no hydrogen 2.938 N/A ARG 48.A NE GLN 45.A O no hydrogen 3.279 N/A ARG 48.A NH1 GLU 73.A O no hydrogen 2.831 N/A ARG 48.A NH2 GLU 73.A O no hydrogen 3.324 N/A GLN 50.A N HIS 47.A O no hydrogen 2.798 N/A ASP 52.A N ALA 6.A O no hydrogen 2.883 N/A CYS 53.A N ALA 6.A O no hydrogen 3.211 N/A CYS 53.A SG LEU 54.A O no hydrogen 3.629 N/A LEU 54.A N PRO 78.A O no hydrogen 2.858 N/A ILE 55.A N CYS 8.A O no hydrogen 2.890 N/A LEU 56.A N ILE 80.A O no hydrogen 2.852 N/A VAL 57.A N TRP 10.A O no hydrogen 3.387 N/A ALA 58.A N VAL 82.A O no hydrogen 2.923 N/A ASN 60.A N VAL 57.A O no hydrogen 3.046 N/A ASN 60.A ND2 TRP 10.A O no hydrogen 2.841 N/A PHE 63.A N ASN 60.A O no hydrogen 3.258 N/A ARG 64.A NH1 ASP 86.A OD1 no hydrogen 2.686 N/A VAL 66.A N SER 62.A O no hydrogen 2.910 N/A VAL 67.A N PHE 63.A O no hydrogen 2.851 N/A GLN 68.A N ARG 64.A O no hydrogen 2.800 N/A GLN 69.A N ALA 65.A O no hydrogen 3.075 N/A LEU 70.A N VAL 66.A O no hydrogen 2.905 N/A CYS 71.A N VAL 67.A O no hydrogen 3.084 N/A CYS 71.A SG VAL 67.A O no hydrogen 3.414 N/A CYS 71.A SG TYR 93.A O no hydrogen 4.000 N/A PHE 72.A N GLN 68.A O no hydrogen 2.826 N/A GLU 73.A N GLN 69.A O no hydrogen 2.741 N/A GLY 74.A N CYS 71.A O no hydrogen 3.007 N/A VAL 75.A N LEU 70.A O no hydrogen 2.914 N/A VAL 77.A N TYR 93.A OH no hydrogen 3.237 N/A ILE 80.A N LEU 54.A O no hydrogen 2.823 N/A VAL 81.A N LEU 98.A O no hydrogen 2.745 N/A VAL 82.A N LEU 56.A O no hydrogen 2.700 N/A GLY 83.A N LEU 100.A O no hydrogen 2.814 N/A GLN 91.A NE2 SER 95.A O no hydrogen 3.237 N/A LEU 92.A N GLU 97.A OE1 no hydrogen 3.327 N/A LEU 92.A N GLU 97.A OE2 no hydrogen 2.913 N/A TYR 93.A N GLU 97.A OE1 no hydrogen 2.693 N/A TYR 93.A OH VAL 75.A O no hydrogen 2.615 N/A HIS 94.A N GLU 97.A OE1 no hydrogen 3.131 N/A HIS 94.A NE2 VAL 77.A O no hydrogen 2.676 N/A SER 95.A N GLU 126.A O no hydrogen 2.975 N/A ALA 96.A N HIS 94.A ND1 no hydrogen 3.122 N/A GLU 97.A N HIS 94.A O no hydrogen 3.265 N/A LEU 98.A N ALA 79.A O no hydrogen 2.900 N/A HIS 99.A NE2 GLU 97.A OE2 no hydrogen 2.471 N/A LEU 100.A N VAL 81.A O no hydrogen 3.045 N/A GLY 101.A N GLN 104.A OE1 no hydrogen 2.914 N/A GLN 104.A N GLY 101.A O no hydrogen 2.995 N/A GLN 107.A N GLN 104.A O no hydrogen 3.112 N/A LEU 108.A N LEU 105.A O no hydrogen 3.046 N/A GLN 111.A N GLN 107.A O no hydrogen 3.143 N/A GLN 111.A NE2 GLN 107.A OE1 no hydrogen 2.938 N/A VAL 112.A N LEU 108.A O no hydrogen 2.674 N/A ASP 113.A N PRO 109.A O no hydrogen 3.229 N/A ALA 114.A N TYR 110.A O no hydrogen 3.027 N/A ALA 115.A N GLN 111.A O no hydrogen 2.830 N/A LEU 116.A N VAL 112.A O no hydrogen 3.001 N/A ALA 117.A N ASP 113.A O no hydrogen 2.919 N/A GLU 118.A N ALA 114.A O no hydrogen 2.886 N/A PHE 119.A N ALA 115.A O no hydrogen 3.094 N/A LEU 120.A N LEU 116.A O no hydrogen 2.963 N/A ARG 121.A N ALA 117.A O no hydrogen 2.845 N/A ARG 121.A NE GLU 118.A OE2 no hydrogen 2.947 N/A ARG 121.A NH2 GLU 118.A OE1 no hydrogen 3.010 N/A ARG 121.A NH2 GLU 118.A OE2 no hydrogen 3.320 N/A LEU 122.A N GLU 118.A O no hydrogen 3.044 N/A LEU 122.A N PHE 119.A O no hydrogen 3.234 N/A ALA 123.A N PHE 119.A O no hydrogen 2.843 N/A VAL 125.A N GLN 143.A OE1 no hydrogen 2.799 N/A GLU 126.A N SER 95.A OG no hydrogen 3.059 N/A THR 127.A OG1 HIS 131.A NE2 no hydrogen 3.085 N/A MET 128.A N TYR 93.A O no hydrogen 3.038 N/A HIS 131.A N THR 127.A O no hydrogen 3.243 N/A SER 140.A N ASP 136.A O no hydrogen 2.765 N/A SER 141.A N GLU 138.A O no hydrogen 3.446 N/A GLN 142.A N LEU 139.A O no hydrogen 2.904 N/A GLN 142.A NE2 GLY 74.A O no hydrogen 3.595 N/A GLN 143.A N SER 140.A O no hydrogen 2.985 N/A GLN 143.A NE2 VAL 125.A O no hydrogen 3.155 N/A ARG 144.A N SER 141.A O no hydrogen 3.152 N/A LEU 146.A N GLN 142.A O no hydrogen 2.925 N/A ALA 147.A N GLN 143.A O no hydrogen 2.874 N/A GLN 148.A N ARG 144.A O no hydrogen 2.966 N/A ARG 149.A N ASP 145.A O no hydrogen 3.102 N/A LEU 150.A N LEU 146.A O no hydrogen 2.818 N/A GLN 151.A N ALA 147.A O no hydrogen 2.757 N/A GLU 152.A N GLN 148.A O no hydrogen 3.030 N/A ARG 153.A N LEU 150.A O no hydrogen 2.944 N/A ARG 153.A NE SER 3.A OG no hydrogen 2.847 N/A ARG 153.A NH1 ASP 52.A OD2 no hydrogen 2.773 N/A ARG 153.A NH2 SER 3.A OG no hydrogen 3.343 N/A ARG 153.A NH2 GLN 4.A O no hydrogen 2.771 N/A ARG 153.A NH2 ASP 52.A OD1 no hydrogen 2.820 N/A ARG 153.A NH2 ASP 52.A OD2 no hydrogen 3.447 N/A LEU 154.A N LEU 150.A O no hydrogen 2.684 N/A GLY 155.A N GLN 151.A O no hydrogen 2.771 N/A TYR 156.A OH PRO 271.A O no hydrogen 2.694 N/A ARG 163.A NH1 PHE 214.A O no hydrogen 2.890 N/A ARG 163.A NH1 ASP 217.A OD2 no hydrogen 3.312 N/A ARG 163.A NH1 TYR 266.A OH no hydrogen 3.209 N/A ASP 166.A N ASP 164.A OD2 no hydrogen 3.028 N/A ARG 167.A N ASP 164.A O no hydrogen 2.965 N/A PHE 168.A N PRO 165.A O no hydrogen 3.123 N/A LEU 169.A N ALA 216.A O no hydrogen 3.001 N/A ARG 170.A NH1 ASP 217.A OD1 no hydrogen 2.977 N/A ARG 170.A NH2 ASP 217.A OD1 no hydrogen 3.282 N/A ASN 171.A N PHE 168.A O no hydrogen 2.917 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.940 N/A SER 177.A N PRO 173.A O no hydrogen 2.810 N/A SER 177.A OG LEU 169.A O no hydrogen 2.962 N/A GLN 178.A N ALA 174.A O no hydrogen 3.003 N/A LYS 179.A N TYR 175.A O no hydrogen 3.006 N/A LEU 180.A N GLU 176.A O no hydrogen 2.902 N/A HIS 181.A N SER 177.A O no hydrogen 2.962 N/A GLN 182.A N GLN 178.A O no hydrogen 2.905 N/A ALA 183.A N LYS 179.A O no hydrogen 3.050 N/A MET 184.A N LEU 180.A O no hydrogen 2.783 N/A GLN 185.A N HIS 181.A O no hydrogen 2.862 N/A THR 186.A N GLN 182.A O no hydrogen 2.947 N/A THR 186.A OG1 GLN 182.A O no hydrogen 2.988 N/A SER 187.A N ALA 183.A O no hydrogen 3.022 N/A SER 187.A OG ASN 208.A OD1 no hydrogen 3.347 N/A TYR 188.A N MET 184.A O no hydrogen 2.867 N/A TYR 188.A OH HIS 227.A ND1 no hydrogen 2.713 N/A ARG 189.A N GLN 185.A O no hydrogen 2.842 N/A ARG 189.A NH1 GLU 233.A OE1 no hydrogen 3.441 N/A GLU 190.A N THR 186.A O no hydrogen 3.121 N/A ILE 191.A N SER 187.A O no hydrogen 3.105 N/A VAL 192.A N TYR 188.A O no hydrogen 2.935 N/A LEU 193.A N ARG 189.A O no hydrogen 2.873 N/A SER 194.A N GLU 190.A O no hydrogen 3.164 N/A SER 194.A N ILE 191.A O no hydrogen 3.188 N/A SER 194.A OG GLU 190.A O no hydrogen 3.130 N/A SER 194.A OG ILE 191.A O no hydrogen 3.379 N/A TYR 195.A N VAL 192.A O no hydrogen 3.147 N/A TYR 195.A OH ASP 257.A OD1 no hydrogen 2.729 N/A SER 197.A N SER 194.A O no hydrogen 3.020 N/A SER 197.A OG LEU 193.A O no hydrogen 3.358 N/A SER 200.A OG SER 194.A O no hydrogen 2.969 N/A SER 200.A OG SER 197.A O no hydrogen 3.296 N/A SER 205.A N ASN 201.A O no hydrogen 3.166 N/A SER 205.A OG ASN 201.A O no hydrogen 2.779 N/A ILE 206.A N LEU 202.A O no hydrogen 2.829 N/A ASP 207.A N ASN 203.A O no hydrogen 2.861 N/A ASN 208.A N GLN 204.A O no hydrogen 2.982 N/A PHE 209.A N SER 205.A O no hydrogen 3.202 N/A VAL 210.A N ILE 206.A O no hydrogen 2.885 N/A ASN 211.A N ASP 207.A O no hydrogen 2.760 N/A MET 212.A N ASN 208.A O no hydrogen 3.355 N/A ALA 213.A N PHE 209.A O no hydrogen 2.933 N/A PHE 214.A N VAL 210.A O no hydrogen 2.799 N/A PHE 215.A N ASN 211.A O no hydrogen 3.002 N/A ALA 216.A N MET 212.A O no hydrogen 2.925 N/A ASP 217.A N PHE 214.A O no hydrogen 3.014 N/A VAL 218.A N ALA 213.A O no hydrogen 2.850 N/A LYS 222.A N PRO 219.A O no hydrogen 3.019 N/A VAL 224.A N VAL 220.A O no hydrogen 3.065 N/A GLU 225.A N THR 221.A O no hydrogen 2.951 N/A ILE 226.A N LYS 222.A O no hydrogen 2.991 N/A HIS 227.A N VAL 223.A O no hydrogen 2.911 N/A HIS 227.A ND1 TYR 188.A OH no hydrogen 2.713 N/A MET 228.A N VAL 224.A O no hydrogen 2.864 N/A GLU 229.A N GLU 225.A O no hydrogen 2.871 N/A LEU 230.A N ILE 226.A O no hydrogen 2.996 N/A MET 231.A N HIS 227.A O no hydrogen 2.943 N/A ASP 232.A N MET 228.A O no hydrogen 3.012 N/A GLU 233.A N GLU 229.A O no hydrogen 3.148 N/A PHE 234.A N LEU 230.A O no hydrogen 2.824 N/A ALA 235.A N MET 231.A O no hydrogen 2.739 N/A LYS 236.A N ASP 232.A O no hydrogen 3.158 N/A LYS 237.A N GLU 233.A O no hydrogen 3.189 N/A LEU 238.A N PHE 234.A O no hydrogen 2.870 N/A ARG 239.A N ALA 235.A O no hydrogen 3.110 N/A VAL 240.A N LYS 236.A O no hydrogen 3.182 N/A GLU 241.A N LEU 238.A O no hydrogen 3.264 N/A ASP 250.A N ILE 247.A O no hydrogen 3.229 N/A TYR 251.A N LEU 248.A O no hydrogen 3.052 N/A ARG 252.A N LEU 249.A O no hydrogen 3.309 N/A LEU 253.A N ASP 250.A O no hydrogen 3.091 N/A LEU 255.A N TYR 251.A O no hydrogen 3.133 N/A ILE 256.A N ARG 252.A O no hydrogen 2.901 N/A ASP 257.A N LEU 253.A O no hydrogen 2.817 N/A VAL 258.A N THR 254.A O no hydrogen 2.868 N/A ILE 259.A N LEU 255.A O no hydrogen 2.979 N/A ALA 260.A N ILE 256.A O no hydrogen 2.943 N/A HIS 261.A N ASP 257.A O no hydrogen 3.014 N/A LEU 262.A N VAL 258.A O no hydrogen 2.951 N/A CYS 263.A N ILE 259.A O no hydrogen 2.774 N/A GLU 264.A N ALA 260.A O no hydrogen 2.950 N/A MET 265.A N HIS 261.A O no hydrogen 3.112 N/A TYR 266.A N LEU 262.A O no hydrogen 3.127 N/A TYR 266.A OH ASP 217.A OD2 no hydrogen 3.048 N/A ARG 267.A N CYS 263.A O no hydrogen 2.845 N/A ARG 267.A NH1 GLU 264.A OE1 no hydrogen 2.956 N/A ARG 268.A N GLU 264.A O no hydrogen 2.703 N/A SER 269.A N TYR 266.A O no hydrogen 2.933 N/A SER 269.A OG TYR 266.A O no hydrogen 2.450 N/A ILE 270.A N ARG 267.A O no hydrogen 3.501 N/A