Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pcq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N ASP 32.A OD2 no hydrogen 2.932 N/A LEU 2.A N GLY 188.A O no hydrogen 3.051 N/A ILE 5.A N LEU 35.A O no hydrogen 3.294 N/A THR 7.A OG1 GLY 41.A O no hydrogen 2.663 N/A ASP 10.A N ARG 14.A O no hydrogen 2.959 N/A GLY 13.A N ASP 10.A O no hydrogen 2.972 N/A ARG 14.A N ASP 10.A OD1 no hydrogen 2.994 N/A ASP 16.A N PRO 8.A O no hydrogen 3.012 N/A ALA 19.A N ASP 16.A OD1 no hydrogen 2.891 N/A PHE 20.A N ASP 16.A O no hydrogen 2.974 N/A ARG 21.A N GLU 17.A O no hydrogen 3.018 N/A ARG 21.A NH1 ALA 57.A O no hydrogen 3.167 N/A GLU 22.A N GLU 18.A O no hydrogen 3.023 N/A LEU 23.A N ALA 19.A O no hydrogen 2.842 N/A ALA 24.A N PHE 20.A O no hydrogen 3.086 N/A GLN 25.A N ARG 21.A O no hydrogen 3.102 N/A ALA 26.A N GLU 22.A O no hydrogen 3.045 N/A ALA 26.A N LEU 23.A O no hydrogen 3.185 N/A LEU 27.A N LEU 23.A O no hydrogen 3.221 N/A LEU 27.A N ALA 24.A O no hydrogen 3.346 N/A GLU 28.A N ALA 24.A O no hydrogen 2.963 N/A LEU 30.A N LEU 27.A O no hydrogen 2.918 N/A VAL 31.A N GLU 28.A O no hydrogen 3.195 N/A ASP 32.A N ILE 1.A O no hydrogen 3.125 N/A LEU 35.A N PRO 3.A O no hydrogen 3.170 N/A VAL 36.A N LEU 65.A O no hydrogen 2.757 N/A TYR 37.A OH ARG 51.A O no hydrogen 2.743 N/A SER 39.A N TYR 120.A OH no hydrogen 2.910 N/A SER 39.A OG TYR 120.A OH no hydrogen 3.175 N/A GLY 41.A N GLY 38.A O no hydrogen 2.863 N/A HIS 45.A N GLU 42.A O no hydrogen 2.930 N/A HIS 45.A ND1 GLU 42.A OE1 no hydrogen 2.815 N/A LEU 46.A N GLY 43.A O no hydrogen 3.132 N/A THR 47.A N GLU 50.A OE1 no hydrogen 2.915 N/A GLU 50.A N THR 47.A OG1 no hydrogen 3.248 N/A ARG 51.A N THR 47.A O no hydrogen 2.821 N/A ARG 51.A NE GLU 81.A OE1 no hydrogen 2.809 N/A ARG 51.A NH1 GLU 69.A OE2 no hydrogen 3.297 N/A ARG 51.A NH2 GLU 81.A OE1 no hydrogen 3.221 N/A ARG 51.A NH2 GLU 81.A OE2 no hydrogen 2.890 N/A ALA 52.A N PRO 48.A O no hydrogen 3.075 N/A ARG 53.A N GLU 49.A O no hydrogen 2.966 N/A ARG 53.A NE GLU 17.A OE2 no hydrogen 2.914 N/A ARG 53.A NH1 GLU 49.A OE2 no hydrogen 3.034 N/A GLY 54.A N GLU 50.A O no hydrogen 2.719 N/A LEU 55.A N ARG 51.A O no hydrogen 3.314 N/A ARG 56.A N ALA 52.A O no hydrogen 3.106 N/A ALA 57.A N ARG 53.A O no hydrogen 3.207 N/A ALA 57.A N GLY 54.A O no hydrogen 3.254 N/A LEU 58.A N LEU 55.A O no hydrogen 3.132 N/A ARG 59.A NH1 ARG 56.A O no hydrogen 2.754 N/A ARG 59.A NH1 LEU 58.A O no hydrogen 2.589 N/A ARG 61.A N GLU 28.A OE1 no hydrogen 2.779 N/A ARG 61.A N GLU 28.A OE2 no hydrogen 3.014 N/A LYS 62.A N GLU 28.A OE2 no hydrogen 2.941 N/A LYS 62.A NZ GLU 28.A O no hydrogen 2.946 N/A LYS 62.A NZ PRO 29.A O no hydrogen 3.301 N/A LYS 62.A NZ VAL 31.A O no hydrogen 2.773 N/A LEU 65.A N LEU 34.A O no hydrogen 2.832 N/A VAL 66.A N ALA 88.A O no hydrogen 3.211 N/A GLY 67.A N VAL 36.A O no hydrogen 2.714 N/A LEU 68.A N LEU 90.A O no hydrogen 2.849 N/A THR 71.A OG1 GLN 74.A OE1 no hydrogen 2.705 N/A GLN 74.A N THR 71.A OG1 no hydrogen 3.353 N/A ALA 75.A N THR 71.A O no hydrogen 2.890 N/A GLU 76.A N LEU 72.A O no hydrogen 2.849 N/A LEU 79.A N ALA 75.A O no hydrogen 2.919 N/A LEU 80.A N GLU 76.A O no hydrogen 2.989 N/A GLU 81.A N GLY 77.A O no hydrogen 2.964 N/A ALA 82.A N ALA 78.A O no hydrogen 3.041 N/A LYS 83.A N LEU 79.A O no hydrogen 2.915 N/A ALA 84.A N LEU 80.A O no hydrogen 2.994 N/A ALA 85.A N GLU 81.A O no hydrogen 3.061 N/A ALA 85.A N ALA 82.A O no hydrogen 3.223 N/A GLY 86.A N LYS 83.A O no hydrogen 3.049 N/A ALA 87.A N ALA 82.A O no hydrogen 3.107 N/A LEU 89.A N PRO 116.A O no hydrogen 2.988 N/A LEU 90.A N VAL 66.A O no hydrogen 2.983 N/A ALA 91.A N PHE 118.A O no hydrogen 3.118 N/A THR 92.A N LEU 68.A O no hydrogen 3.268 N/A ARG 95.A N GLU 70.A OE1 no hydrogen 2.855 N/A TYR 96.A N GLU 70.A OE1 no hydrogen 3.035 N/A HIS 98.A N ARG 95.A O no hydrogen 3.006 N/A SER 100.A N TYR 97.A O no hydrogen 2.761 N/A LEU 101.A N HIS 98.A O no hydrogen 3.050 N/A GLY 104.A N LEU 101.A O no hydrogen 2.884 N/A LEU 105.A N GLY 102.A O no hydrogen 3.288 N/A LEU 106.A N ALA 103.A O no hydrogen 3.141 N/A ARG 107.A N ALA 103.A O no hydrogen 3.282 N/A TYR 108.A N GLY 104.A O no hydrogen 2.854 N/A TYR 109.A N LEU 105.A O no hydrogen 3.276 N/A TYR 109.A OH ALA 91.A O no hydrogen 2.859 N/A GLU 110.A N LEU 106.A O no hydrogen 2.893 N/A ALA 111.A N ARG 107.A O no hydrogen 3.031 N/A LEU 112.A N TYR 108.A O no hydrogen 3.179 N/A ALA 113.A N TYR 109.A O no hydrogen 2.817 N/A GLU 114.A N GLU 110.A O no hydrogen 3.057 N/A GLU 114.A N ALA 111.A O no hydrogen 3.342 N/A LYS 115.A N LEU 112.A O no hydrogen 2.963 N/A LEU 117.A N ASN 143.A O no hydrogen 2.774 N/A PHE 118.A N LEU 89.A O no hydrogen 2.684 N/A LEU 119.A N GLY 146.A O no hydrogen 2.873 N/A TYR 120.A N ALA 91.A O no hydrogen 2.883 N/A HIS 121.A N LYS 148.A O no hydrogen 2.950 N/A GLN 124.A N GLN 124.A OE1 no hydrogen 2.815 N/A GLN 124.A NE2 SER 150.A O no hydrogen 2.742 N/A ASN 125.A N VAL 122.A O no hydrogen 3.064 N/A THR 126.A N VAL 122.A O no hydrogen 3.097 N/A THR 126.A OG1 VAL 122.A O no hydrogen 3.248 N/A LYS 127.A N PRO 123.A O no hydrogen 2.730 N/A LYS 127.A NZ ASN 125.A O no hydrogen 2.813 N/A VAL 135.A N PRO 131.A O no hydrogen 3.078 N/A GLU 136.A N LEU 132.A O no hydrogen 2.896 N/A ALA 137.A N GLU 133.A O no hydrogen 3.069 N/A LEU 138.A N ALA 134.A O no hydrogen 2.960 N/A ALA 139.A N VAL 135.A O no hydrogen 2.837 N/A HIS 141.A N LEU 138.A O no hydrogen 3.042 N/A ASN 143.A N HIS 141.A ND1 no hydrogen 2.996 N/A VAL 144.A N HIS 141.A O no hydrogen 3.003 N/A LEU 145.A N LEU 117.A O no hydrogen 2.878 N/A ILE 147.A N ARG 168.A O no hydrogen 2.913 N/A LYS 148.A N LEU 119.A O no hydrogen 2.800 N/A LYS 148.A NZ TYR 120.A OH no hydrogen 2.624 N/A ASP 149.A N TYR 170.A O no hydrogen 2.775 N/A SER 150.A N HIS 121.A O no hydrogen 2.800 N/A SER 151.A N ASP 149.A OD1 no hydrogen 3.004 N/A SER 151.A OG ASP 149.A OD1 no hydrogen 2.578 N/A ASP 153.A N SER 151.A OG no hydrogen 3.094 N/A SER 155.A N ASP 153.A OD1 no hydrogen 2.953 N/A ARG 156.A N ASP 153.A O no hydrogen 3.060 N/A ARG 156.A NE ASP 149.A OD2 no hydrogen 2.856 N/A ARG 156.A NH1 LEU 130.A O no hydrogen 2.981 N/A ARG 156.A NH2 LEU 130.A O no hydrogen 2.905 N/A ALA 158.A N LEU 154.A O no hydrogen 2.903 N/A PHE 159.A N SER 155.A O no hydrogen 3.003 N/A TYR 160.A N ARG 156.A O no hydrogen 3.022 N/A TYR 160.A OH ASP 149.A OD2 no hydrogen 2.645 N/A GLN 161.A N ILE 157.A O no hydrogen 3.068 N/A GLN 161.A NE2 ALA 182.A O no hydrogen 3.547 N/A ALA 162.A N ALA 158.A O no hydrogen 2.970 N/A ARG 163.A N PHE 159.A O no hydrogen 2.863 N/A LEU 164.A N TYR 160.A O no hydrogen 2.826 N/A ARG 168.A N LEU 145.A O no hydrogen 3.061 N/A ARG 168.A NE GLU 186.A OE1 no hydrogen 2.835 N/A ARG 168.A NE GLU 186.A OE2 no hydrogen 3.413 N/A ARG 168.A NH2 GLU 186.A OE2 no hydrogen 2.921 N/A TYR 170.A N ILE 147.A O no hydrogen 2.852 N/A TYR 170.A OH GLU 186.A OE2 no hydrogen 2.461 N/A THR 171.A N GLY 187.A O no hydrogen 3.130 N/A THR 171.A OG1 ASP 149.A O no hydrogen 3.539 N/A GLY 172.A N ASP 149.A O no hydrogen 2.921 N/A HIS 173.A N THR 171.A OG1 no hydrogen 3.206 N/A PHE 177.A N ALA 174.A O no hydrogen 3.095 N/A LEU 178.A N GLN 219.A OE1 no hydrogen 3.110 N/A ALA 180.A N THR 176.A O no hydrogen 2.975 N/A LEU 181.A N PHE 177.A O no hydrogen 3.001 N/A ALA 182.A N LEU 178.A O no hydrogen 3.004 N/A LEU 183.A N GLY 179.A O no hydrogen 3.084 N/A GLY 184.A N LEU 181.A O no hydrogen 3.028 N/A ALA 185.A N ALA 180.A O no hydrogen 3.064 N/A GLU 186.A N VAL 169.A O no hydrogen 2.641 N/A ILE 189.A N THR 171.A O no hydrogen 3.006 N/A LEU 190.A N LEU 2.A O no hydrogen 3.078 N/A ALA 193.A N LEU 190.A O no hydrogen 2.820 N/A ASN 194.A N ALA 191.A O no hydrogen 2.991 N/A LEU 195.A N ALA 192.A O no hydrogen 3.055 N/A ALA 196.A N ALA 192.A O no hydrogen 3.010 N/A ARG 198.A NH1 GLY 276.A O no hydrogen 3.284 N/A ARG 198.A NH2 GLY 276.A O no hydrogen 2.775 N/A ARG 198.A NH2 VAL 278.A O no hydrogen 3.314 N/A ALA 199.A N ALA 196.A O no hydrogen 3.032 N/A TYR 200.A N ALA 196.A O no hydrogen 3.356 N/A ARG 201.A N PRO 197.A O no hydrogen 3.194 N/A ARG 201.A NE ASP 205.A OD1 no hydrogen 3.347 N/A ARG 201.A NH2 ASP 205.A OD1 no hydrogen 3.068 N/A ALA 202.A N ARG 198.A O no hydrogen 2.967 N/A LEU 203.A N ALA 199.A O no hydrogen 2.961 N/A LEU 204.A N TYR 200.A O no hydrogen 3.016 N/A ASP 205.A N ARG 201.A O no hydrogen 2.848 N/A HIS 206.A N ALA 202.A O no hydrogen 2.838 N/A PHE 207.A N LEU 203.A O no hydrogen 3.110 N/A ARG 208.A N LEU 204.A O no hydrogen 2.948 N/A GLU 209.A N ASP 205.A O no hydrogen 2.880 N/A GLY 210.A N PHE 207.A O no hydrogen 2.937 N/A ARG 211.A N HIS 206.A O no hydrogen 2.788 N/A ARG 211.A NE HIS 206.A ND1 no hydrogen 2.884 N/A GLU 214.A N GLU 214.A OE1 no hydrogen 2.640 N/A ALA 215.A N ARG 211.A O no hydrogen 2.925 N/A GLN 216.A N LEU 212.A O no hydrogen 2.875 N/A GLU 217.A N ALA 213.A O no hydrogen 3.120 N/A LEU 218.A N GLU 214.A O no hydrogen 3.109 N/A GLN 219.A N ALA 215.A O no hydrogen 2.840 N/A GLN 219.A NE2 PRO 175.A O no hydrogen 2.944 N/A LYS 220.A N GLN 216.A O no hydrogen 2.945 N/A LYS 220.A NZ GLU 217.A OE2 no hydrogen 3.262 N/A LYS 221.A N GLU 217.A O no hydrogen 2.973 N/A LYS 221.A NZ GLU 275.A OE1 no hydrogen 2.867 N/A LYS 221.A NZ GLU 275.A OE2 no hydrogen 3.258 N/A LEU 222.A N LEU 218.A O no hydrogen 2.882 N/A PHE 223.A N LYS 220.A O no hydrogen 3.345 N/A GLY 226.A N LEU 222.A O no hydrogen 3.068 N/A ASP 227.A N PHE 223.A O no hydrogen 2.774 N/A LEU 228.A N PRO 224.A O no hydrogen 2.985 N/A LEU 229.A N LEU 225.A O no hydrogen 3.075 N/A ALA 230.A N GLY 226.A O no hydrogen 3.129 N/A LYS 231.A N ASP 227.A O no hydrogen 3.302 N/A LYS 231.A NZ ASP 227.A OD2 no hydrogen 3.167 N/A GLY 232.A N LEU 228.A O no hydrogen 2.855 N/A GLY 233.A N LEU 229.A O no hydrogen 2.858 N/A LEU 236.A N GLY 232.A O no hydrogen 3.412 N/A LEU 237.A N GLY 233.A O no hydrogen 3.074 N/A LYS 238.A N VAL 234.A O no hydrogen 2.951 N/A LYS 238.A NZ THR 7.A O no hydrogen 2.587 N/A LYS 238.A NZ GLU 42.A OE2 no hydrogen 2.779 N/A LYS 238.A NZ TYR 250.A O no hydrogen 2.908 N/A GLN 239.A N PRO 235.A O no hydrogen 3.049 N/A ALA 240.A N LEU 236.A O no hydrogen 2.960 N/A LEU 241.A N LEU 237.A O no hydrogen 3.035 N/A ARG 242.A N LYS 238.A O no hydrogen 2.872 N/A ARG 242.A NH1 GLY 249.A O no hydrogen 2.748 N/A ARG 242.A NH2 ALA 257.A O no hydrogen 2.844 N/A HIS 243.A N GLN 239.A O no hydrogen 2.915 N/A LEU 244.A N ALA 240.A O no hydrogen 3.030 N/A GLY 245.A N ARG 242.A O no hydrogen 2.847 N/A LEU 246.A N LEU 241.A O no hydrogen 2.925 N/A ALA 248.A N LEU 246.A O no hydrogen 2.906 N/A TYR 250.A N PHE 9.A O no hydrogen 2.850 N/A ARG 252.A N GLU 42.A OE1 no hydrogen 3.092 N/A ARG 252.A NE GLY 13.A O no hydrogen 2.700 N/A ARG 252.A NH1 HIS 45.A O no hydrogen 2.662 N/A ARG 252.A NH1 GLU 50.A OE1 no hydrogen 2.822 N/A ARG 252.A NH1 GLU 50.A OE2 no hydrogen 3.520 N/A ARG 252.A NH2 GLY 13.A O no hydrogen 3.029 N/A ARG 252.A NH2 GLU 50.A OE2 no hydrogen 2.699 N/A TYR 255.A N ARG 252.A O no hydrogen 3.157 N/A SER 259.A N GLN 239.A OE1 no hydrogen 2.919 N/A LEU 261.A N SER 259.A OG no hydrogen 3.078 N/A TRP 262.A N SER 259.A O no hydrogen 3.096 N/A PHE 265.A N LEU 261.A O no hydrogen 2.875 N/A LEU 266.A N TRP 262.A O no hydrogen 2.762 N/A LEU 269.A N PHE 265.A O no hydrogen 2.908 N/A GLU 270.A N LEU 266.A O no hydrogen 2.848 N/A GLY 271.A N PRO 267.A O no hydrogen 2.894 N/A LEU 272.A N VAL 268.A O no hydrogen 3.195 N/A LYS 273.A N LEU 269.A O no hydrogen 2.913 N/A GLU 274.A N GLU 270.A O no hydrogen 2.899 N/A GLU 275.A N GLY 271.A O no hydrogen 3.145 N/A GLY 276.A N LYS 273.A O no hydrogen 2.964 N/A TRP 277.A N LEU 272.A O no hydrogen 2.998 N/A LEU 279.A N LEU 195.A O no hydrogen 2.805 N/A