Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aoj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 5.A NE2 GLU 79.A OE1 no hydrogen 3.276 N/A ILE 6.A N VAL 76.A O no hydrogen 2.949 N/A ARG 8.A NH1 PRO 82.A O no hydrogen 2.850 N/A ARG 8.A NH2 PRO 82.A O no hydrogen 2.627 N/A ASP 10.A N LYS 7.A O no hydrogen 2.862 N/A ILE 11.A N ARG 8.A O no hydrogen 2.875 N/A VAL 12.A N GLU 29.A O no hydrogen 2.880 N/A LYS 14.A N LEU 27.A O no hydrogen 2.701 N/A LEU 17.A N VAL 25.A O no hydrogen 2.708 N/A GLY 18.A N VAL 25.A O no hydrogen 3.332 N/A GLY 20.A N GLY 23.A O no hydrogen 3.217 N/A LYS 24.A N ALA 43.A O no hydrogen 3.108 N/A LYS 24.A NZ GLU 16.A OE1 no hydrogen 2.844 N/A VAL 25.A N GLY 18.A O no hydrogen 3.020 N/A PHE 26.A N VAL 41.A O no hydrogen 2.879 N/A LEU 27.A N TRP 15.A O no hydrogen 2.738 N/A ALA 28.A N VAL 39.A O no hydrogen 2.832 N/A GLU 29.A N VAL 12.A O no hydrogen 2.847 N/A CYS 30.A N MET 37.A O no hydrogen 2.795 N/A HIS 31.A N ASP 10.A O no hydrogen 2.958 N/A MET 37.A N CYS 30.A O no hydrogen 3.181 N/A VAL 39.A N ALA 28.A O no hydrogen 2.966 N/A ALA 40.A N PHE 87.A O no hydrogen 2.876 N/A VAL 41.A N PHE 26.A O no hydrogen 2.821 N/A LYS 42.A N MET 85.A O no hydrogen 2.900 N/A LYS 42.A NZ GLU 58.A OE1 no hydrogen 3.519 N/A ALA 43.A N LYS 24.A O no hydrogen 2.786 N/A LEU 44.A N LEU 83.A O no hydrogen 2.900 N/A LYS 45.A N PHE 22.A O no hydrogen 2.902 N/A SER 48.A OG SER 50.A OG no hydrogen 2.957 N/A SER 50.A OG SER 48.A OG no hydrogen 2.957 N/A ALA 51.A N SER 48.A OG no hydrogen 3.225 N/A ARG 52.A NH1 GLU 49.A OE2 no hydrogen 3.471 N/A GLN 53.A N GLU 49.A O no hydrogen 3.131 N/A GLN 53.A N SER 50.A O no hydrogen 3.225 N/A ASP 54.A N SER 50.A O no hydrogen 3.224 N/A PHE 55.A N ALA 51.A O no hydrogen 2.932 N/A GLN 56.A N ARG 52.A O no hydrogen 3.248 N/A GLN 56.A NE2 THR 78.A OG1 no hydrogen 2.962 N/A ARG 57.A N GLN 53.A O no hydrogen 2.848 N/A ARG 57.A NE GLU 60.A OE1 no hydrogen 2.884 N/A GLU 58.A N ASP 54.A O no hydrogen 2.923 N/A ALA 59.A N PHE 55.A O no hydrogen 2.994 N/A GLU 60.A N GLN 56.A O no hydrogen 2.816 N/A LEU 61.A N ARG 57.A O no hydrogen 3.119 N/A LEU 62.A N GLU 58.A O no hydrogen 2.964 N/A THR 63.A N ALA 59.A O no hydrogen 3.260 N/A THR 63.A OG1 ALA 59.A O no hydrogen 2.408 N/A MET 64.A N LEU 61.A O no hydrogen 2.973 N/A GLN 66.A N TYR 127.A OH no hydrogen 2.971 N/A HIS 69.A N HIS 67.A ND1 no hydrogen 2.956 N/A HIS 69.A NE2 GLN 120.A OE1 no hydrogen 3.054 N/A ILE 70.A N HIS 67.A O no hydrogen 3.248 N/A VAL 71.A N ILE 153.A O no hydrogen 2.822 N/A ARG 72.A N GLU 88.A OE2 no hydrogen 2.833 N/A PHE 74.A N VAL 86.A O no hydrogen 2.760 N/A GLY 75.A N VAL 86.A O no hydrogen 3.421 N/A VAL 76.A N HIS 4.A O no hydrogen 2.925 N/A CYS 77.A N LEU 84.A O no hydrogen 2.940 N/A CYS 77.A SG HIS 5.A NE2 no hydrogen 3.794 N/A CYS 77.A SG GLU 79.A O no hydrogen 3.748 N/A CYS 77.A SG GLU 79.A OE1 no hydrogen 2.579 N/A GLU 79.A N GLU 79.A OE1 no hydrogen 3.191 N/A ARG 81.A NE ALA 47.A O no hydrogen 3.578 N/A ARG 81.A NH1 GLY 80.A O no hydrogen 2.790 N/A LEU 84.A N CYS 77.A O no hydrogen 3.040 N/A MET 85.A N LYS 42.A O no hydrogen 2.852 N/A VAL 86.A N GLY 75.A O no hydrogen 2.878 N/A PHE 87.A N ALA 40.A O no hydrogen 2.864 N/A GLU 88.A N ARG 72.A O no hydrogen 2.793 N/A HIS 92.A N VAL 145.A O no hydrogen 2.738 N/A GLY 93.A N MET 90.A O no hydrogen 3.458 N/A LEU 95.A N CYS 143.A O no hydrogen 2.962 N/A ASN 96.A ND2 GLY 195.A O no hydrogen 3.072 N/A ARG 97.A N ASP 94.A OD1 no hydrogen 2.968 N/A PHE 98.A N ASP 94.A O no hydrogen 3.117 N/A LEU 99.A N LEU 95.A O no hydrogen 2.936 N/A ARG 100.A N ASN 96.A O no hydrogen 3.138 N/A SER 101.A N ARG 97.A O no hydrogen 3.281 N/A SER 101.A N PHE 98.A O no hydrogen 3.157 N/A SER 101.A OG ARG 97.A O no hydrogen 3.037 N/A SER 101.A OG PHE 98.A O no hydrogen 3.273 N/A HIS 102.A N LEU 99.A O no hydrogen 3.019 N/A LEU 109.A N HIS 102.A O no hydrogen 3.006 N/A GLY 110.A N GLN 113.A OE1 no hydrogen 3.325 N/A LEU 114.A N GLY 110.A O no hydrogen 2.935 N/A LEU 115.A N LEU 111.A O no hydrogen 2.929 N/A ALA 116.A N GLY 112.A O no hydrogen 3.085 N/A VAL 117.A N GLN 113.A O no hydrogen 2.948 N/A ALA 118.A N LEU 114.A O no hydrogen 3.118 N/A SER 119.A N LEU 115.A O no hydrogen 2.992 N/A SER 119.A OG GLN 253.A OE1 no hydrogen 3.201 N/A GLN 120.A N ALA 116.A O no hydrogen 3.025 N/A GLN 120.A NE2 ALA 116.A O no hydrogen 3.229 N/A GLN 120.A NE2 LEU 149.A O no hydrogen 3.041 N/A VAL 121.A N VAL 117.A O no hydrogen 3.144 N/A ALA 122.A N ALA 118.A O no hydrogen 3.010 N/A ALA 123.A N SER 119.A O no hydrogen 2.882 N/A GLY 124.A N GLN 120.A O no hydrogen 3.204 N/A MET 125.A N VAL 121.A O no hydrogen 3.052 N/A VAL 126.A N ALA 122.A O no hydrogen 2.837 N/A VAL 126.A N ALA 123.A O no hydrogen 3.046 N/A TYR 127.A N ALA 123.A O no hydrogen 3.223 N/A LEU 128.A N GLY 124.A O no hydrogen 3.240 N/A ALA 129.A N MET 125.A O no hydrogen 3.114 N/A GLY 130.A N VAL 126.A O no hydrogen 2.974 N/A LEU 131.A N TYR 127.A O no hydrogen 3.027 N/A HIS 132.A N ALA 129.A O no hydrogen 2.930 N/A PHE 133.A N LEU 128.A O no hydrogen 2.902 N/A HIS 135.A N ASP 180.A OD2 no hydrogen 2.612 N/A HIS 135.A NE2 ASP 155.A O no hydrogen 2.543 N/A ARG 136.A N ASP 180.A OD1 no hydrogen 3.236 N/A ASP 137.A N HIS 135.A ND1 no hydrogen 3.185 N/A THR 140.A N GLU 190.A OE2 no hydrogen 3.149 N/A ARG 141.A NH1 ASP 137.A OD1 no hydrogen 2.795 N/A ARG 141.A NH1 ASP 137.A OD2 no hydrogen 3.136 N/A ARG 141.A NH2 ASP 137.A OD1 no hydrogen 3.229 N/A ASN 142.A N ALA 139.A O no hydrogen 2.878 N/A ASN 142.A ND2 ASP 137.A O no hydrogen 2.650 N/A ASN 142.A ND2 ASP 137.A OD2 no hydrogen 3.065 N/A CYS 143.A N THR 140.A O no hydrogen 3.337 N/A CYS 143.A SG ALA 139.A O no hydrogen 3.651 N/A LEU 144.A N LYS 152.A O no hydrogen 2.662 N/A VAL 145.A N GLY 93.A O no hydrogen 2.822 N/A GLY 146.A N VAL 150.A O no hydrogen 2.656 N/A VAL 151.A N GLN 120.A OE1 no hydrogen 2.922 N/A LYS 152.A N LEU 144.A O no hydrogen 2.896 N/A LYS 152.A NZ GLU 88.A OE1 no hydrogen 3.303 N/A LYS 152.A NZ GLU 88.A OE2 no hydrogen 2.644 N/A ILE 153.A N HIS 69.A O no hydrogen 2.713 N/A GLY 154.A N ASN 142.A O no hydrogen 2.803 N/A ASP 155.A N ASN 142.A O no hydrogen 3.205 N/A GLY 157.A N ASP 155.A OD2 no hydrogen 3.076 N/A ILE 162.A N LEU 160.A O no hydrogen 2.693 N/A ARG 163.A NH1 PRO 198.A O no hydrogen 3.274 N/A ARG 163.A NH1 LEU 202.A O no hydrogen 3.414 N/A ARG 163.A NH2 LEU 202.A O no hydrogen 3.404 N/A ARG 163.A NH2 ASN 204.A OD1 no hydrogen 3.545 N/A TRP 164.A N PRO 161.A O no hydrogen 2.981 N/A TRP 164.A NE1 GLU 190.A OE2 no hydrogen 2.793 N/A MET 165.A N ILE 162.A O no hydrogen 3.129 N/A SER 169.A N PRO 166.A O no hydrogen 3.117 N/A SER 169.A OG LYS 174.A O no hydrogen 2.831 N/A ILE 170.A N PRO 166.A O no hydrogen 3.097 N/A LEU 171.A N PRO 167.A O no hydrogen 2.767 N/A TYR 172.A N GLU 168.A O no hydrogen 3.312 N/A THR 176.A N SER 179.A OG no hydrogen 2.749 N/A THR 176.A OG1 GLU 178.A OE2 no hydrogen 3.512 N/A SER 179.A N THR 176.A OG1 no hydrogen 3.270 N/A SER 179.A OG THR 176.A O no hydrogen 2.922 N/A ASP 180.A N THR 176.A O no hydrogen 3.270 N/A VAL 181.A N THR 177.A O no hydrogen 3.028 N/A TRP 182.A N GLU 178.A O no hydrogen 3.439 N/A SER 183.A N SER 179.A O no hydrogen 3.041 N/A SER 183.A OG TRP 164.A O no hydrogen 2.702 N/A SER 183.A OG SER 179.A O no hydrogen 3.396 N/A PHE 184.A N ASP 180.A O no hydrogen 2.840 N/A GLY 185.A N VAL 181.A O no hydrogen 2.857 N/A VAL 186.A N TRP 182.A O no hydrogen 3.222 N/A VAL 187.A N SER 183.A O no hydrogen 2.882 N/A LEU 188.A N PHE 184.A O no hydrogen 2.833 N/A TRP 189.A N GLY 185.A O no hydrogen 3.012 N/A TRP 189.A NE1 GLU 218.A O no hydrogen 2.831 N/A GLU 190.A N VAL 186.A O no hydrogen 2.919 N/A ILE 191.A N VAL 187.A O no hydrogen 2.880 N/A PHE 192.A N LEU 188.A O no hydrogen 2.962 N/A THR 193.A OG1 TRP 189.A O no hydrogen 2.740 N/A THR 193.A OG1 GLU 190.A O no hydrogen 3.155 N/A TYR 194.A N ILE 191.A O no hydrogen 3.131 N/A TYR 194.A OH LEU 109.A O no hydrogen 2.612 N/A GLY 195.A N GLU 190.A O no hydrogen 2.672 N/A LYS 196.A N THR 193.A OG1 no hydrogen 3.388 N/A SER 203.A N GLU 206.A OE1 no hydrogen 2.848 N/A SER 203.A OG THR 205.A OG1 no hydrogen 3.226 N/A SER 203.A OG GLU 206.A OE1 no hydrogen 3.111 N/A THR 205.A OG1 SER 203.A OG no hydrogen 3.226 N/A GLU 206.A N SER 203.A OG no hydrogen 3.362 N/A ALA 207.A N SER 203.A O no hydrogen 2.753 N/A ILE 208.A N ASN 204.A O no hydrogen 2.939 N/A ASP 209.A N THR 205.A O no hydrogen 2.955 N/A CYS 210.A N GLU 206.A O no hydrogen 3.054 N/A CYS 210.A SG GLU 206.A O no hydrogen 3.480 N/A ILE 211.A N ALA 207.A O no hydrogen 2.870 N/A THR 212.A N ILE 208.A O no hydrogen 2.787 N/A THR 212.A OG1 ILE 208.A O no hydrogen 3.249 N/A GLN 213.A N ASP 209.A O no hydrogen 2.714 N/A GLY 214.A N ILE 211.A O no hydrogen 3.144 N/A ARG 215.A N CYS 210.A O no hydrogen 2.874 N/A ARG 219.A NH1 CYS 223.A O no hydrogen 2.710 N/A CYS 223.A N PRO 220.A O no hydrogen 3.093 N/A CYS 223.A SG PRO 224.A O no hydrogen 3.461 N/A VAL 227.A N PRO 224.A O no hydrogen 3.009 N/A TYR 228.A N PRO 224.A O no hydrogen 3.176 N/A TYR 228.A OH LEU 217.A O no hydrogen 2.582 N/A ALA 229.A N PRO 225.A O no hydrogen 2.856 N/A ILE 230.A N GLU 226.A O no hydrogen 3.429 N/A MET 231.A N VAL 227.A O no hydrogen 2.965 N/A ARG 232.A N TYR 228.A O no hydrogen 3.087 N/A ARG 232.A NE GLU 216.A OE1 no hydrogen 2.758 N/A ARG 232.A NH2 GLU 216.A OE1 no hydrogen 3.464 N/A GLY 233.A N ALA 229.A O no hydrogen 2.930 N/A CYS 234.A N ILE 230.A O no hydrogen 3.148 N/A CYS 234.A N MET 231.A O no hydrogen 2.752 N/A CYS 234.A SG ILE 230.A O no hydrogen 3.365 N/A TRP 235.A N ARG 232.A O no hydrogen 3.132 N/A ARG 237.A NH1 THR 212.A O no hydrogen 3.018 N/A ARG 237.A NH2 THR 212.A O no hydrogen 3.231 N/A GLN 240.A N GLN 240.A OE1 no hydrogen 2.882 N/A GLN 241.A N GLU 238.A O no hydrogen 2.951 N/A ARG 242.A N PRO 239.A O no hydrogen 3.305 N/A ARG 242.A NE GLU 178.A O no hydrogen 3.080 N/A ARG 242.A NH1 GLU 168.A OE1 no hydrogen 3.549 N/A ARG 242.A NH1 GLN 236.A O no hydrogen 2.650 N/A ARG 242.A NH2 GLU 168.A OE1 no hydrogen 3.007 N/A ARG 242.A NH2 GLU 178.A O no hydrogen 3.162 N/A HIS 243.A N GLY 233.A O no hydrogen 3.056 N/A ASP 247.A N SER 244.A OG no hydrogen 2.756 N/A VAL 248.A N SER 244.A O no hydrogen 2.954 N/A HIS 249.A N ILE 245.A O no hydrogen 2.742 N/A ALA 250.A N LYS 246.A O no hydrogen 3.118 N/A ARG 251.A N ASP 247.A O no hydrogen 2.982 N/A LEU 252.A N VAL 248.A O no hydrogen 3.145 N/A GLN 253.A N HIS 249.A O no hydrogen 2.761 N/A ALA 254.A N ALA 250.A O no hydrogen 2.799 N/A LEU 255.A N ARG 251.A O no hydrogen 3.073 N/A ALA 256.A N GLN 253.A O no hydrogen 3.234 N/A GLN 257.A N GLN 253.A O no hydrogen 3.269 N/A GLN 257.A N ALA 254.A O no hydrogen 3.337 N/A ALA 258.A N ALA 254.A O no hydrogen 3.281 N/A