Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pol_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ILE 3.A O no hydrogen 3.109 N/A ASP 7.A N ASP 5.A OD2 no hydrogen 2.802 N/A LYS 8.A N ASP 5.A O no hydrogen 3.168 N/A MET 10.A N ASP 101.A OD1 no hydrogen 3.027 N/A LYS 11.A N ASP 52.A OD2 no hydrogen 2.739 N/A LYS 11.A NZ GLY 50.A O no hydrogen 2.518 N/A HIS 12.A N ILE 102.A O no hydrogen 2.832 N/A HIS 12.A ND1 ASP 53.A OD1 no hydrogen 3.161 N/A HIS 12.A ND1 ASP 53.A OD2 no hydrogen 2.321 N/A HIS 12.A NE2 ASP 101.A OD2 no hydrogen 2.905 N/A ILE 13.A N ASP 53.A O no hydrogen 3.003 N/A VAL 14.A N VAL 104.A O no hydrogen 2.974 N/A ILE 15.A N CYS 55.A O no hydrogen 2.736 N/A ALA 17.A N ALA 57.A O no hydrogen 2.924 N/A ARG 18.A NE ASP 59.A OD2 no hydrogen 3.326 N/A SER 20.A OG ARG 18.A O no hydrogen 3.530 N/A SER 21.A OG ASP 245.A OD1 no hydrogen 2.762 N/A ARG 23.A NE ASP 245.A O no hydrogen 3.174 N/A ARG 23.A NE ASP 245.A OD2 no hydrogen 3.246 N/A ARG 23.A NH1 ASP 245.A OD2 no hydrogen 2.826 N/A LEU 24.A N SER 21.A O no hydrogen 3.194 N/A LYS 27.A N LEU 24.A O no hydrogen 3.209 N/A LYS 27.A NZ ASP 109.A OD2 no hydrogen 2.936 N/A LYS 27.A NZ VAL 244.A O no hydrogen 2.912 N/A LYS 27.A NZ ASP 245.A OD1 no hydrogen 2.736 N/A LEU 29.A N GLY 26.A O no hydrogen 2.949 N/A LEU 30.A N LYS 27.A O no hydrogen 3.072 N/A ILE 32.A N ARG 35.A O no hydrogen 2.882 N/A HIS 33.A N ASN 254.A OD1 no hydrogen 2.722 N/A HIS 33.A NE2 MET 256.A O no hydrogen 2.643 N/A ARG 35.A N ILE 32.A O no hydrogen 3.208 N/A ARG 35.A NE ASP 43.A OD2 no hydrogen 2.944 N/A ARG 35.A NH1 GLU 70.A OE1 no hydrogen 3.188 N/A ARG 35.A NH2 ASP 43.A OD1 no hydrogen 3.083 N/A ARG 35.A NH2 ASP 43.A OD2 no hydrogen 3.371 N/A ARG 35.A NH2 GLU 70.A OE2 no hydrogen 2.979 N/A MET 37.A N LEU 30.A O no hydrogen 2.956 N/A ILE 38.A N PRO 28.A O no hydrogen 2.944 N/A ARG 40.A N PRO 36.A O no hydrogen 3.097 N/A ARG 40.A NE ILE 32.A O no hydrogen 2.679 N/A ARG 40.A NH1 GLU 262.A OE2.B no hydrogen 2.835 N/A ARG 40.A NH2 ILE 32.A O no hydrogen 3.219 N/A ARG 40.A NH2 HIS 33.A O no hydrogen 3.221 N/A VAL 41.A N MET 37.A O no hydrogen 2.851 N/A VAL 42.A N ILE 38.A O no hydrogen 2.886 N/A ASP 43.A N LEU 39.A O no hydrogen 2.895 N/A GLN 44.A N ARG 40.A O no hydrogen 3.100 N/A ALA 45.A N VAL 41.A O no hydrogen 3.038 N/A LYS 46.A N VAL 42.A O no hydrogen 2.965 N/A LYS 47.A N GLN 44.A O no hydrogen 3.113 N/A LYS 47.A NZ GLU 262.A O.B no hydrogen 3.480 N/A LYS 47.A NZ GLU 262.A OXT.A no hydrogen 3.126 N/A VAL 48.A N ALA 45.A O no hydrogen 3.062 N/A GLU 49.A N GLN 119.A OE1 no hydrogen 3.203 N/A ASP 52.A N LYS 11.A O no hydrogen 2.834 N/A CYS 55.A N ILE 13.A O no hydrogen 3.084 N/A CYS 55.A SG ILE 13.A O no hydrogen 4.019 N/A VAL 56.A N ASP 73.A O no hydrogen 2.943 N/A ALA 57.A N ILE 15.A O no hydrogen 2.713 N/A THR 58.A N VAL 75.A O no hydrogen 3.043 N/A THR 58.A OG1 ALA 17.A O no hydrogen 2.679 N/A ASP 60.A N THR 58.A OG1 no hydrogen 3.191 N/A ARG 62.A N ASP 60.A OD2 no hydrogen 3.290 N/A ILE 63.A N ASP 60.A O no hydrogen 3.162 N/A ALA 64.A N ASP 60.A O no hydrogen 3.112 N/A GLU 65.A N GLU 61.A O no hydrogen 2.856 N/A CYS 67.A N ILE 63.A O no hydrogen 3.289 N/A CYS 67.A SG ILE 63.A O no hydrogen 3.516 N/A ARG 68.A N ALA 64.A O no hydrogen 2.876 N/A ARG 68.A NH1 GLU 61.A OE1 no hydrogen 3.145 N/A ALA 69.A N GLU 65.A O no hydrogen 3.113 N/A GLU 70.A N CYS 67.A O no hydrogen 3.035 N/A GLY 71.A N ARG 68.A O no hydrogen 2.896 N/A VAL 72.A N CYS 67.A O no hydrogen 3.221 N/A VAL 75.A N VAL 56.A O no hydrogen 2.882 N/A THR 77.A N THR 58.A O no hydrogen 2.976 N/A SER 78.A N GLU 90.A OE1 no hydrogen 3.052 N/A SER 78.A OG ASP 80.A O no hydrogen 3.454 N/A SER 78.A OG GLU 90.A OE1 no hydrogen 3.404 N/A HIS 81.A N ALA 79.A O no hydrogen 2.742 N/A GLY 84.A N GLU 220.A OE2 no hydrogen 2.860 N/A THR 85.A N GLU 220.A OE1 no hydrogen 2.901 N/A THR 85.A OG1 GLU 220.A OE1 no hydrogen 2.465 N/A ARG 87.A N SER 83.A O no hydrogen 3.104 N/A LEU 88.A N GLY 84.A O no hydrogen 3.205 N/A SER 89.A N THR 85.A O no hydrogen 3.084 N/A SER 89.A OG LEU 202.A O no hydrogen 2.900 N/A GLU 90.A N ASP 86.A O no hydrogen 3.044 N/A VAL 91.A N ARG 87.A O no hydrogen 3.058 N/A ALA 92.A N LEU 88.A O no hydrogen 2.972 N/A ARG 93.A N SER 89.A O no hydrogen 2.994 N/A ILE 94.A N GLU 90.A O no hydrogen 2.788 N/A LYS 95.A N VAL 91.A O no hydrogen 2.856 N/A LYS 95.A NZ ASP 73.A OD2 no hydrogen 2.643 N/A GLY 96.A N ALA 92.A O no hydrogen 2.898 N/A GLY 96.A N ARG 93.A O no hydrogen 3.252 N/A TRP 97.A N ALA 92.A O no hydrogen 3.352 N/A ASP 100.A N ASP 98.A OD2 no hydrogen 2.865 N/A ASP 101.A N ASP 98.A O no hydrogen 2.990 N/A ILE 102.A N MET 10.A O no hydrogen 2.908 N/A ILE 103.A N TYR 197.A O no hydrogen 2.846 N/A VAL 104.A N HIS 12.A O no hydrogen 2.885 N/A ASN 105.A ND2 GLN 107.A OE1 no hydrogen 2.979 N/A ASN 105.A ND2 GLY 193.A O no hydrogen 3.041 N/A VAL 106.A N VAL 14.A O no hydrogen 3.064 N/A GLY 108.A N PRO 16.A O no hydrogen 2.937 N/A GLU 110.A N GLN 107.A O no hydrogen 3.229 N/A LEU 113.A N GLU 110.A O no hydrogen 3.253 N/A LEU 117.A N PRO 114.A O no hydrogen 3.000 N/A GLN 119.A N ALA 115.A O no hydrogen 3.034 N/A GLN 120.A N GLN 116.A O no hydrogen 3.000 N/A GLN 120.A NE2 VAL 235.A O no hydrogen 2.921 N/A VAL 121.A N LEU 117.A O no hydrogen 3.000 N/A ALA 122.A N VAL 118.A O no hydrogen 3.177 N/A LYS 123.A N GLN 119.A O no hydrogen 2.930 N/A LYS 123.A NZ ASP 127.A OD2 no hydrogen 3.036 N/A LEU 124.A N GLN 120.A O no hydrogen 2.802 N/A LEU 125.A N VAL 121.A O no hydrogen 3.204 N/A VAL 126.A N ALA 122.A O no hydrogen 3.026 N/A ASP 127.A N LYS 123.A O no hydrogen 2.924 N/A LYS 128.A N LEU 124.A O no hydrogen 3.265 N/A LYS 128.A N LEU 125.A O no hydrogen 3.244 N/A LYS 128.A NZ GLN 159.A O no hydrogen 2.822 N/A LYS 128.A NZ GLU 161.A OE2 no hydrogen 3.320 N/A ASN 130.A ND2 GLU 161.A OE2 no hydrogen 3.266 N/A CYS 131.A N LYS 128.A O no hydrogen 3.024 N/A SER 132.A N ARG 230.A O no hydrogen 2.908 N/A SER 132.A OG HIS 229.A ND1 no hydrogen 2.818 N/A SER 134.A N ALA 196.A O no hydrogen 2.789 N/A SER 134.A OG VAL 121.A O no hydrogen 2.589 N/A THR 135.A N ALA 232.A O no hydrogen 3.118 N/A THR 135.A OG1 HIS 191.A NE2 no hydrogen 2.809 N/A THR 135.A OG1 LEU 194.A O no hydrogen 2.587 N/A CYS 137.A N ALA 234.A O no hydrogen 3.187 N/A CYS 137.A SG ALA 234.A O no hydrogen 3.863 N/A GLU 138.A N ARG 190.A O no hydrogen 2.892 N/A ILE 140.A N ALA 188.A O no hydrogen 3.066 N/A PHE 146.A N ALA 142.A O no hydrogen 3.072 N/A GLN 147.A N LEU 143.A O no hydrogen 3.089 N/A ARG 148.A N ASP 144.A O no hydrogen 3.242 N/A ARG 148.A N GLU 145.A O no hydrogen 3.140 N/A ILE 151.A N ARG 148.A O no hydrogen 3.134 N/A LYS 153.A N SER 166.A O no hydrogen 2.822 N/A LYS 153.A NZ PHE 146.A O no hydrogen 2.936 N/A LYS 153.A NZ ILE 151.A O no hydrogen 2.719 N/A LYS 153.A NZ ARG 167.A O no hydrogen 2.789 N/A VAL 154.A N PHE 189.A O no hydrogen 2.987 N/A VAL 155.A N TYR 164.A O no hydrogen 3.022 N/A SER 157.A N GLU 161.A O no hydrogen 2.989 N/A GLN 159.A N SER 157.A OG no hydrogen 2.899 N/A ASN 160.A ND2 ILE 233.A O no hydrogen 2.790 N/A ALA 162.A N ILE 231.A O no hydrogen 2.866 N/A LEU 163.A N VAL 155.A O no hydrogen 2.769 N/A TYR 164.A N VAL 155.A O no hydrogen 3.413 N/A TYR 164.A OH GLU 217.A OE2 no hydrogen 2.850 N/A SER 166.A N LYS 153.A O no hydrogen 2.774 N/A SER 166.A OG GLU 217.A OE1 no hydrogen 3.222 N/A SER 166.A OG GLU 217.A OE2 no hydrogen 2.533 N/A ARG 167.A N GLU 217.A OE1 no hydrogen 2.915 N/A ARG 167.A NE GLU 217.A O no hydrogen 2.763 N/A ARG 167.A NH1 ASP 149.A O no hydrogen 2.840 N/A ARG 167.A NH2 SER 218.A O no hydrogen 3.081 N/A ALA 168.A N SER 166.A OG no hydrogen 3.032 N/A THR 169.A OG1 THR 169.A O no hydrogen 2.649 N/A GLY 176.A N ASP 173.A OD1 no hydrogen 3.367 N/A HIS 185.A NE2 PRO 171.A O no hydrogen 3.239 N/A GLN 187.A N HIS 185.A ND1 no hydrogen 2.912 N/A GLN 187.A NE2 THR 186.A OG1 no hydrogen 3.209 N/A ARG 190.A N GLU 138.A O no hydrogen 2.631 N/A ARG 190.A NH1 GLU 138.A OE2 no hydrogen 3.239 N/A HIS 191.A N VAL 152.A O no hydrogen 2.768 N/A HIS 191.A NE2 THR 135.A OG1 no hydrogen 2.809 N/A LEU 192.A N LEU 136.A O no hydrogen 2.904 N/A LEU 194.A N LEU 192.A O no hydrogen 2.852 N/A TYR 195.A N ASN 105.A OD1 no hydrogen 2.725 N/A ALA 196.A N SER 134.A O no hydrogen 3.018 N/A TYR 197.A N ILE 103.A O no hydrogen 2.787 N/A ARG 198.A N SER 132.A O no hydrogen 3.115 N/A ARG 198.A NE CYS 131.A O no hydrogen 2.792 N/A ARG 198.A NH2 LYS 128.A O no hydrogen 3.160 N/A ARG 198.A NH2 CYS 131.A O no hydrogen 3.223 N/A VAL 199.A N ASP 101.A O no hydrogen 2.849 N/A SER 200.A N ALA 99.A O no hydrogen 2.807 N/A LEU 202.A N ARG 198.A O no hydrogen 3.260 N/A GLN 203.A N VAL 199.A O no hydrogen 2.968 N/A GLU 204.A N SER 200.A O no hydrogen 3.019 N/A TYR 205.A N LEU 201.A O no hydrogen 2.805 N/A TYR 205.A OH GLU 220.A O no hydrogen 3.289 N/A THR 207.A N GLU 204.A O no hydrogen 2.963 N/A THR 207.A OG1 GLU 204.A O no hydrogen 2.587 N/A TRP 208.A N GLU 204.A O no hydrogen 3.173 N/A TRP 208.A N TYR 205.A O no hydrogen 3.266 N/A GLY 211.A N GLU 214.A OE1 no hydrogen 2.944 N/A LEU 213.A N GLU 226.A OE1 no hydrogen 3.265 N/A LEU 213.A N GLU 226.A OE2 no hydrogen 3.016 N/A GLU 214.A N GLU 226.A OE1 no hydrogen 3.282 N/A LYS 215.A N GLY 211.A O no hydrogen 3.098 N/A LEU 216.A N LYS 212.A O no hydrogen 3.374 N/A GLU 217.A N LEU 213.A O no hydrogen 2.904 N/A SER 218.A N GLU 214.A O no hydrogen 2.648 N/A LEU 219.A N GLU 214.A O no hydrogen 3.209 N/A GLN 221.A N GLN 221.A OE1 no hydrogen 2.565 N/A LEU 222.A N LEU 219.A O no hydrogen 3.029 N/A ARG 223.A N GLU 220.A O no hydrogen 3.155 N/A ARG 223.A NE GLU 214.A OE1 no hydrogen 2.699 N/A ARG 223.A NH1 TYR 205.A O no hydrogen 3.027 N/A ARG 223.A NH2 GLU 214.A OE1 no hydrogen 3.411 N/A ARG 223.A NH2 GLU 214.A OE2 no hydrogen 2.924 N/A VAL 224.A N GLN 221.A O no hydrogen 3.035 N/A GLU 226.A N LEU 222.A O no hydrogen 3.066 N/A ASN 227.A N ARG 223.A O no hydrogen 3.230 N/A ASN 227.A ND2 ARG 223.A O no hydrogen 3.032 N/A GLY 228.A N LEU 225.A O no hydrogen 2.940 N/A HIS 229.A N VAL 224.A O no hydrogen 3.051 N/A HIS 229.A ND1 SER 132.A OG no hydrogen 2.818 N/A ALA 232.A N MET 133.A O no hydrogen 2.889 N/A ILE 233.A N ASN 160.A O no hydrogen 2.967 N/A ALA 236.A N CYS 137.A O no hydrogen 2.869 N/A GLU 237.A N GLN 120.A OE1 no hydrogen 2.909 N/A VAL 244.A N ASP 109.A O no hydrogen 2.863 N/A ASP 245.A N ASP 249.A OD2 no hydrogen 2.853 N/A GLN 247.A NE2 ASP 251.A OD1 no hydrogen 2.671 N/A ASP 249.A N THR 246.A OG1 no hydrogen 3.242 N/A LEU 250.A N THR 246.A O no hydrogen 3.185 N/A ASP 251.A N GLN 247.A O no hydrogen 2.826 N/A ARG 252.A N ALA 248.A O no hydrogen 2.906 N/A LEU 253.A N ASP 249.A O no hydrogen 3.177 N/A ASN 254.A N LEU 250.A O no hydrogen 2.912 N/A ASN 254.A ND2 LEU 31.A O no hydrogen 3.176 N/A ASN 255.A N ASP 251.A O no hydrogen 2.883 N/A MET 256.A N LEU 253.A O no hydrogen 2.975 N/A GLU 259.A N GLU 259.A OE1 no hydrogen 2.734 N/A SER 260.A N PRO 257.A O no hydrogen 3.076 N/A SER 260.A OG PRO 257.A O no hydrogen 2.972 N/A PHE 261.A N VAL 258.A O no hydrogen 2.994 N/A GLU 262.A N.A GLU 259.A O no hydrogen 3.302 N/A GLU 262.A N.B GLU 259.A O no hydrogen 3.314 N/A