Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1r80_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG LEU 4.A O no hydrogen 3.041 N/A THR 16.A N LYS 13.A O no hydrogen 2.952 N/A CYS 18.A SG GLY 36.A O no hydrogen 2.945 N/A ARG 19.A NE ASP 21.A OD1 no hydrogen 2.882 N/A ARG 19.A NH1 ASP 21.A OD1 no hydrogen 3.529 N/A ARG 19.A NH1 ASP 21.A OD2 no hydrogen 2.880 N/A ARG 19.A NH1 VAL 256.A O no hydrogen 3.049 N/A ARG 19.A NH2 GLU 35.A O no hydrogen 2.889 N/A ASP 21.A N ASP 21.A OD1 no hydrogen 2.576 N/A THR 26.A N ALA 30.A O no hydrogen 2.798 N/A THR 26.A OG1 ALA 30.A O no hydrogen 3.488 N/A TRP 28.A N THR 26.A OG1 no hydrogen 3.266 N/A TRP 28.A NE1 PRO 236.A O no hydrogen 2.791 N/A LEU 29.A N THR 26.A O no hydrogen 2.858 N/A ALA 30.A N THR 26.A OG1 no hydrogen 2.989 N/A ILE 32.A N VAL 24.A O no hydrogen 2.823 N/A VAL 33.A N VAL 239.A O no hydrogen 2.858 N/A TRP 34.A NE1 LEU 23.A O no hydrogen 3.014 N/A GLU 35.A N GLU 243.A OE1 no hydrogen 2.700 N/A THR 37.A N TRP 34.A O no hydrogen 3.169 N/A THR 37.A OG1 TRP 34.A O no hydrogen 2.712 N/A ILE 42.A N ASN 39.A OD1 no hydrogen 3.020 N/A LEU 43.A N ASN 39.A O no hydrogen 3.291 N/A ASN 44.A N ILE 40.A O no hydrogen 2.812 N/A GLU 45.A N ASP 41.A O no hydrogen 3.134 N/A GLN 46.A N ILE 42.A O no hydrogen 3.042 N/A PHE 47.A N LEU 43.A O no hydrogen 3.013 N/A ARG 48.A N ASN 44.A O no hydrogen 2.886 N/A LEU 49.A N GLU 45.A O no hydrogen 3.010 N/A GLN 50.A N PHE 47.A O no hydrogen 3.238 N/A ASN 51.A N ARG 48.A O no hydrogen 2.825 N/A THR 52.A N PHE 47.A O no hydrogen 3.193 N/A THR 52.A OG1 PHE 47.A O no hydrogen 2.824 N/A THR 53.A N ASP 126.A OD2 no hydrogen 2.888 N/A ILE 54.A N ARG 84.A O no hydrogen 2.833 N/A GLY 55.A N TYR 127.A O no hydrogen 2.790 N/A LEU 56.A N HIS 86.A O no hydrogen 2.930 N/A THR 57.A N VAL 129.A O no hydrogen 2.861 N/A THR 57.A OG1 VAL 129.A O no hydrogen 3.450 N/A VAL 58.A N TYR 88.A O no hydrogen 3.050 N/A ALA 60.A N PHE 90.A O no hydrogen 2.799 N/A LYS 62.A N ASP 92.A OD1 no hydrogen 3.113 N/A LYS 62.A N ASP 92.A OD2 no hydrogen 3.295 N/A TYR 64.A N ILE 61.A O no hydrogen 3.178 N/A VAL 65.A N LYS 62.A O no hydrogen 3.393 N/A ALA 66.A N LYS 63.A O no hydrogen 3.260 N/A PHE 67.A N TYR 64.A O no hydrogen 3.071 N/A LEU 68.A N VAL 65.A O no hydrogen 3.255 N/A LYS 69.A NZ GLU 73.A OE2 no hydrogen 2.891 N/A PHE 71.A N PHE 67.A O no hydrogen 3.136 N/A LEU 72.A N LEU 68.A O no hydrogen 2.874 N/A GLU 73.A N LYS 69.A O no hydrogen 2.907 N/A THR 74.A N LEU 70.A O no hydrogen 3.007 N/A THR 74.A OG1 LEU 70.A O no hydrogen 2.807 N/A THR 74.A OG1 PHE 71.A O no hydrogen 3.103 N/A ALA 75.A N PHE 71.A O no hydrogen 2.946 N/A GLU 76.A N LEU 72.A O no hydrogen 2.953 N/A LYS 77.A N THR 74.A O no hydrogen 3.039 N/A HIS 78.A N THR 74.A O no hydrogen 2.985 N/A HIS 78.A N ALA 75.A O no hydrogen 3.309 N/A PHE 79.A N ALA 75.A O no hydrogen 2.778 N/A MET 80.A N VAL 141.A O no hydrogen 2.899 N/A HIS 83.A N MET 80.A O no hydrogen 2.985 N/A VAL 85.A N GLY 105.A O no hydrogen 3.305 N/A HIS 86.A N ILE 54.A O no hydrogen 2.902 N/A HIS 86.A NE2 SER 109.A OG no hydrogen 2.752 N/A TYR 87.A N GLN 107.A O no hydrogen 2.766 N/A TYR 87.A OH GLU 76.A OE2 no hydrogen 2.559 N/A TYR 88.A N LEU 56.A O no hydrogen 2.824 N/A TYR 88.A OH GLU 124.A OE1 no hydrogen 2.661 N/A VAL 89.A N SER 109.A O no hydrogen 2.908 N/A PHE 90.A N VAL 58.A O no hydrogen 2.931 N/A THR 91.A N LEU 111.A O no hydrogen 3.016 N/A THR 91.A OG1 ALA 60.A O no hydrogen 2.684 N/A THR 91.A OG1 ASP 92.A OD1 no hydrogen 3.567 N/A GLN 93.A N THR 91.A OG1 no hydrogen 2.937 N/A ALA 96.A N GLN 93.A O no hydrogen 2.813 N/A VAL 97.A N PRO 94.A O no hydrogen 3.201 N/A ARG 99.A NH2 VAL 100.A O no hydrogen 3.303 N/A GLY 103.A N GLU 76.A OE1 no hydrogen 2.770 N/A ARG 106.A NE GLU 76.A OE2 no hydrogen 2.708 N/A ARG 106.A NH1 PHE 79.A O no hydrogen 2.811 N/A ARG 106.A NH1 TYR 87.A OH no hydrogen 2.927 N/A ARG 106.A NH2 PHE 79.A O no hydrogen 3.050 N/A ARG 106.A NH2 MET 80.A O no hydrogen 3.340 N/A GLN 107.A N VAL 85.A O no hydrogen 2.925 N/A SER 109.A N TYR 87.A O no hydrogen 2.848 N/A SER 109.A OG HIS 86.A NE2 no hydrogen 2.752 N/A LEU 111.A N VAL 89.A O no hydrogen 2.822 N/A VAL 113.A N THR 91.A O no hydrogen 2.836 N/A CYS 117.A SG CYS 117.A O no hydrogen 2.975 N/A SER 123.A N ARG 119.A O no hydrogen 3.368 N/A SER 123.A N ARG 120.A O no hydrogen 3.018 N/A SER 123.A OG ARG 120.A O no hydrogen 3.007 N/A GLU 124.A N PHE 121.A O no hydrogen 3.203 N/A VAL 125.A N PHE 121.A O no hydrogen 3.079 N/A ASP 126.A N THR 53.A O no hydrogen 2.858 N/A TYR 127.A N THR 53.A O no hydrogen 3.347 N/A LEU 128.A N GLY 193.A O no hydrogen 2.783 N/A VAL 129.A N GLY 55.A O no hydrogen 2.788 N/A CYS 130.A N PHE 191.A O no hydrogen 2.812 N/A VAL 131.A N THR 57.A O no hydrogen 3.273 N/A ASP 132.A N ALA 189.A O no hydrogen 3.195 N/A MET 135.A N VAL 133.A O no hydrogen 2.686 N/A GLU 136.A N THR 263.A O no hydrogen 2.971 N/A PHE 137.A N THR 74.A OG1 no hydrogen 2.894 N/A ARG 138.A N ARG 261.A O no hydrogen 2.734 N/A ARG 138.A NH1 GLN 248.A OE1 no hydrogen 2.680 N/A ARG 138.A NH2 GLN 248.A OE1 no hydrogen 3.520 N/A ASP 139.A N ARG 261.A O no hydrogen 3.277 N/A HIS 140.A N ASP 139.A OD1 no hydrogen 2.703 N/A HIS 140.A NE2 GLU 144.A OE2 no hydrogen 2.747 N/A VAL 141.A N HIS 78.A O no hydrogen 3.017 N/A GLY 142.A N GLU 144.A OE1 no hydrogen 2.894 N/A GLU 144.A N GLU 144.A OE2 no hydrogen 2.779 N/A ILE 145.A N GLY 142.A O no hydrogen 3.154 N/A LEU 146.A N VAL 143.A O no hydrogen 3.046 N/A THR 147.A OG1 THR 237.A OG1 no hydrogen 2.593 N/A LEU 149.A N THR 237.A OG1 no hydrogen 3.014 N/A PHE 150.A N GLY 192.A O no hydrogen 2.874 N/A THR 152.A OG1 PHE 190.A O no hydrogen 2.815 N/A LEU 153.A N LEU 240.A O no hydrogen 2.932 N/A HIS 154.A N TYR 185.A O no hydrogen 2.985 N/A PHE 157.A N HIS 154.A O no hydrogen 3.185 N/A SER 160.A N PHE 157.A O no hydrogen 3.044 N/A SER 161.A OG GLU 163.A OE1 no hydrogen 3.439 N/A ARG 162.A NE GLY 182.A O no hydrogen 2.964 N/A ARG 162.A NH1 GLY 182.A O no hydrogen 2.869 N/A ALA 164.A N SER 161.A O no hydrogen 2.927 N/A PHE 165.A N ARG 162.A O no hydrogen 2.994 N/A TYR 167.A OH PHE 184.A O no hydrogen 2.688 N/A ARG 169.A NH1 ILE 177.A O no hydrogen 2.792 N/A ARG 169.A NH2 ARG 162.A O no hydrogen 2.992 N/A ARG 169.A NH2 PHE 165.A O no hydrogen 2.860 N/A ARG 170.A N GLU 168.A OE1 no hydrogen 2.865 N/A ARG 170.A NE GLU 168.A OE1 no hydrogen 2.737 N/A ARG 170.A NH2 GLU 168.A OE2 no hydrogen 3.141 N/A ARG 170.A NH2 GLU 218.A O no hydrogen 2.728 N/A SER 173.A N ARG 170.A O no hydrogen 2.966 N/A SER 173.A OG ASP 212.A OD2 no hydrogen 2.703 N/A GLN 174.A N ASP 212.A OD1 no hydrogen 2.831 N/A ALA 175.A N SER 173.A OG no hydrogen 3.162 N/A TYR 176.A N SER 173.A O no hydrogen 3.048 N/A ILE 177.A N GLU 168.A O no hydrogen 3.042 N/A GLU 181.A N PRO 178.A O no hydrogen 3.062 N/A TYR 185.A OH GLU 224.A OE2 no hydrogen 2.651 N/A TYR 186.A N ASN 228.A OD1 no hydrogen 2.825 N/A MET 187.A N THR 152.A O no hydrogen 2.908 N/A GLY 188.A N GLU 224.A OE1 no hydrogen 2.834 N/A PHE 191.A N CYS 130.A O no hydrogen 3.138 N/A GLY 192.A N PHE 150.A O no hydrogen 3.248 N/A GLY 193.A N LEU 128.A O no hydrogen 2.969 N/A SER 194.A N PRO 148.A O no hydrogen 2.887 N/A GLU 197.A N SER 194.A OG no hydrogen 3.148 N/A VAL 198.A N SER 194.A O no hydrogen 2.962 N/A GLN 199.A N VAL 195.A O no hydrogen 2.932 N/A GLN 199.A NE2 GLU 118.A O no hydrogen 2.851 N/A ARG 200.A N GLN 196.A O no hydrogen 2.981 N/A ARG 200.A NH2 GLU 197.A OE2 no hydrogen 2.717 N/A LEU 201.A N GLU 197.A O no hydrogen 3.001 N/A THR 202.A N VAL 198.A O no hydrogen 2.916 N/A THR 202.A OG1 VAL 198.A O no hydrogen 3.171 N/A THR 202.A OG1 GLN 199.A O no hydrogen 3.035 N/A ARG 203.A N GLN 199.A O no hydrogen 2.898 N/A ALA 204.A N ARG 200.A O no hydrogen 2.955 N/A CYS 205.A N LEU 201.A O no hydrogen 2.916 N/A CYS 205.A SG LEU 201.A O no hydrogen 3.424 N/A HIS 206.A N THR 202.A O no hydrogen 2.899 N/A GLN 207.A N ARG 203.A O no hydrogen 3.055 N/A ALA 208.A N ALA 204.A O no hydrogen 3.013 N/A MET 209.A N CYS 205.A O no hydrogen 2.885 N/A MET 210.A N HIS 206.A O no hydrogen 3.101 N/A VAL 211.A N GLN 207.A O no hydrogen 3.108 N/A ASP 212.A N ALA 208.A O no hydrogen 3.062 N/A GLN 213.A N MET 209.A O no hydrogen 2.914 N/A ALA 214.A N MET 210.A O no hydrogen 2.972 N/A ASN 215.A N VAL 211.A O no hydrogen 3.068 N/A ASN 215.A N ASP 212.A O no hydrogen 2.966 N/A GLY 216.A N GLN 213.A O no hydrogen 2.977 N/A ILE 217.A N ASP 212.A O no hydrogen 2.985 N/A VAL 220.A N GLU 168.A OE2 no hydrogen 2.723 N/A TRP 221.A N SER 225.A OG no hydrogen 2.875 N/A HIS 222.A N ALA 219.A O no hydrogen 2.972 N/A SER 225.A N HIS 222.A O no hydrogen 2.943 N/A HIS 226.A N HIS 222.A O no hydrogen 3.379 N/A HIS 226.A ND1 HIS 222.A O no hydrogen 3.175 N/A LEU 227.A N ASP 223.A O no hydrogen 2.852 N/A ASN 228.A N GLU 224.A O no hydrogen 3.055 N/A ASN 228.A ND2 TYR 186.A O no hydrogen 2.902 N/A ASN 228.A ND2 GLU 224.A O no hydrogen 2.901 N/A LYS 229.A N SER 225.A O no hydrogen 3.157 N/A LYS 229.A NZ GLN 174.A O no hydrogen 2.708 N/A LYS 229.A NZ TYR 176.A O no hydrogen 3.003 N/A TYR 230.A N HIS 226.A O no hydrogen 2.886 N/A LEU 231.A N LEU 227.A O no hydrogen 2.914 N/A LEU 232.A N ASN 228.A O no hydrogen 3.058 N/A LEU 232.A N LYS 229.A O no hydrogen 3.276 N/A ARG 233.A N LYS 229.A O no hydrogen 3.238 N/A HIS 234.A N TYR 230.A O no hydrogen 2.763 N/A HIS 234.A ND1 TYR 230.A O no hydrogen 2.996 N/A LYS 235.A NZ ASP 183.A OD2 no hydrogen 2.697 N/A LYS 235.A NZ LEU 232.A O no hydrogen 2.882 N/A THR 237.A N LEU 149.A O no hydrogen 2.661 N/A THR 237.A OG1 THR 147.A OG1 no hydrogen 2.593 N/A THR 237.A OG1 LEU 149.A O no hydrogen 3.137 N/A LYS 238.A NZ GLU 144.A O no hydrogen 2.792 N/A LYS 238.A NZ LEU 146.A O no hydrogen 2.793 N/A VAL 239.A N PRO 31.A O no hydrogen 2.980 N/A LEU 240.A N GLY 151.A O no hydrogen 2.861 N/A SER 241.A N VAL 33.A O no hydrogen 3.164 N/A SER 241.A OG VAL 33.A O no hydrogen 2.689 N/A GLU 243.A N SER 241.A OG no hydrogen 3.425 N/A TYR 244.A N SER 241.A O no hydrogen 3.016 N/A TYR 244.A OH GLU 144.A OE1 no hydrogen 2.681 N/A LEU 245.A N PRO 242.A O no hydrogen 3.069 N/A TRP 246.A N PHE 262.A O no hydrogen 3.019 N/A TRP 246.A NE1 GLY 252.A O no hydrogen 2.680 N/A LEU 250.A N ASP 247.A OD1 no hydrogen 3.036 N/A LEU 251.A N ASP 247.A O no hydrogen 2.826 N/A GLY 252.A N GLN 248.A O no hydrogen 2.794 N/A TRP 253.A NE1 LEU 257.A O no hydrogen 2.746 N/A LEU 257.A N PRO 254.A O no hydrogen 3.008 N/A LYS 259.A NZ GLU 35.A OE1 no hydrogen 3.250 N/A ARG 261.A N GLU 243.A O no hydrogen 2.897 N/A ARG 261.A NE GLU 243.A OE2 no hydrogen 2.822 N/A ARG 261.A NH1 HIS 140.A O no hydrogen 2.839 N/A ARG 261.A NH2 GLU 35.A OE2 no hydrogen 2.832 N/A ARG 261.A NH2 GLU 243.A OE2 no hydrogen 2.886 N/A THR 263.A N GLU 136.A O no hydrogen 3.009 N/A ALA 264.A N TRP 246.A O no hydrogen 2.946 N/A VAL 265.A N ASP 134.A O no hydrogen 3.270 N/A