Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aaa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N SER 1.A O no hydrogen 2.713 N/A VAL 6.A N ASP 2.A O no hydrogen 3.355 N/A ARG 7.A N GLU 3.A O no hydrogen 3.440 N/A ARG 7.A NH1 GLU 4.A OE1 no hydrogen 2.773 N/A ILE 8.A N GLU 4.A O no hydrogen 3.034 N/A ALA 9.A N LYS 5.A O no hydrogen 2.857 N/A ALA 10.A N VAL 6.A O no hydrogen 2.785 N/A LYS 11.A N ARG 7.A O no hydrogen 3.103 N/A PHE 12.A N ILE 8.A O no hydrogen 2.896 N/A ILE 13.A N ALA 9.A O no hydrogen 3.021 N/A THR 14.A N ALA 10.A O no hydrogen 3.173 N/A THR 14.A OG1 ALA 10.A O no hydrogen 2.950 N/A HIS 15.A N PHE 12.A O no hydrogen 3.047 N/A HIS 15.A ND1 LYS 11.A O no hydrogen 2.959 N/A ALA 16.A N ILE 13.A O no hydrogen 3.254 N/A GLU 20.A N PRO 17.A O no hydrogen 2.953 N/A GLU 23.A N GLU 23.A OE1 no hydrogen 2.481 N/A VAL 24.A N GLU 20.A O no hydrogen 3.035 N/A PHE 25.A N PHE 21.A O no hydrogen 2.727 N/A ASN 26.A N ASN 22.A O no hydrogen 2.776 N/A ASP 27.A N GLU 23.A O no hydrogen 2.929 N/A VAL 28.A N VAL 24.A O no hydrogen 2.930 N/A ARG 29.A N PHE 25.A O no hydrogen 2.910 N/A LEU 30.A N ASN 26.A O no hydrogen 3.234 N/A LEU 31.A N ASP 27.A O no hydrogen 3.157 N/A LEU 32.A N VAL 28.A O no hydrogen 3.111 N/A ASN 33.A N ARG 29.A O no hydrogen 3.033 N/A LEU 37.A N ASN 34.A OD1 no hydrogen 3.283 N/A LEU 38.A N ASN 34.A O no hydrogen 3.093 N/A GLU 40.A N LEU 37.A O no hydrogen 3.071 N/A GLY 41.A N LEU 37.A O no hydrogen 3.279 N/A ALA 42.A N LEU 38.A O no hydrogen 3.269 N/A ALA 47.A N ALA 43.A O no hydrogen 3.512 N/A GLN 48.A N HIS 44.A O no hydrogen 3.136 N/A TYR 49.A N ALA 45.A O no hydrogen 2.827 N/A TYR 49.A OH ALA 16.A O no hydrogen 3.407 N/A ASN 50.A N PHE 46.A O no hydrogen 3.024 N/A ASN 50.A ND2 THR 55.A OG1 no hydrogen 3.153 N/A MET 51.A N ALA 47.A O no hydrogen 2.930 N/A ASP 52.A N GLN 48.A O no hydrogen 2.917 N/A GLN 53.A N TYR 49.A O no hydrogen 2.987 N/A THR 55.A N ASN 50.A O no hydrogen 3.124 N/A THR 55.A OG1 ASN 50.A O no hydrogen 2.883 N/A VAL 57.A N VAL 66.A O no hydrogen 2.799 N/A LYS 58.A NZ ILE 59.A O no hydrogen 3.012 N/A LYS 58.A NZ TYR 62.A O no hydrogen 2.998 N/A TYR 62.A N ILE 59.A O no hydrogen 3.076 N/A VAL 66.A N VAL 57.A O no hydrogen 2.887 N/A LEU 67.A N THR 134.A OG1 no hydrogen 3.091 N/A ILE 68.A N THR 55.A O no hydrogen 2.746 N/A THR 69.A OG1 TYR 136.A OH no hydrogen 2.765 N/A HIS 71.A N THR 69.A OG1 no hydrogen 3.016 N/A HIS 71.A NE2 GLU 168.A OE1 no hydrogen 2.516 N/A GLY 72.A N THR 69.A O no hydrogen 3.231 N/A ASP 73.A N GLU 70.A O no hydrogen 3.439 N/A LEU 74.A N ARG 78.A O no hydrogen 2.899 N/A GLY 75.A N ASP 73.A OD2 no hydrogen 3.046 N/A ARG 78.A N GLY 75.A O no hydrogen 3.021 N/A ARG 78.A NE SER 87.A OG no hydrogen 2.839 N/A ARG 78.A NH1 ASP 99.A O no hydrogen 3.548 N/A ARG 78.A NH1 ASP 99.A OD1 no hydrogen 3.207 N/A ARG 78.A NH2 SER 87.A OG no hydrogen 2.757 N/A ARG 78.A NH2 ASP 99.A O no hydrogen 2.770 N/A PHE 79.A N PHE 88.A O no hydrogen 2.738 N/A LEU 80.A N GLY 72.A O no hydrogen 2.796 N/A ASP 81.A N ILE 86.A O no hydrogen 2.712 N/A ARG 83.A NE ASP 117.A OD2 no hydrogen 2.840 N/A ARG 83.A NH2 ASP 117.A OD1 no hydrogen 2.850 N/A ARG 83.A NH2 CYS 133.A O no hydrogen 3.027 N/A ASN 84.A N ASP 81.A OD2 no hydrogen 3.169 N/A ASN 84.A ND2 ASP 81.A OD1 no hydrogen 2.798 N/A ILE 86.A N ASP 81.A O no hydrogen 3.286 N/A SER 87.A N GLN 101.A O no hydrogen 2.913 N/A PHE 88.A N PHE 79.A O no hydrogen 2.906 N/A LYS 89.A N SER 98.A O no hydrogen 2.862 N/A LYS 89.A NZ GLU 96.A O no hydrogen 3.017 N/A LYS 89.A NZ SER 98.A OG no hydrogen 2.561 N/A PHE 90.A N GLY 77.A O no hydrogen 3.080 N/A ASP 91.A N GLU 96.A O no hydrogen 3.017 N/A HIS 92.A ND1 ASN 50.A OD1 no hydrogen 3.220 N/A ARG 94.A N ASP 91.A OD1 no hydrogen 2.963 N/A LYS 95.A N ASP 91.A O no hydrogen 2.591 N/A LYS 95.A NZ HIS 92.A O no hydrogen 3.316 N/A LYS 95.A NZ LEU 93.A O no hydrogen 3.439 N/A GLU 96.A N ASP 91.A O no hydrogen 3.389 N/A SER 98.A N LYS 89.A O no hydrogen 2.973 N/A GLN 101.A N SER 87.A O no hydrogen 2.905 N/A GLN 101.A NE2 ASP 99.A OD2 no hydrogen 2.718 N/A GLU 103.A N LYS 85.A O no hydrogen 2.726 N/A ALA 108.A N GLU 106.A O no hydrogen 2.586 N/A LYS 110.A N SER 107.A O no hydrogen 2.990 N/A LYS 110.A NZ ASP 114.A OD1 no hydrogen 2.826 N/A ARG 113.A N LEU 109.A O no hydrogen 2.852 N/A ARG 113.A NE ASP 114.A OD2 no hydrogen 2.875 N/A ARG 113.A NH1 VAL 135.A O no hydrogen 2.742 N/A ARG 113.A NH2 ASP 114.A OD2 no hydrogen 2.945 N/A ARG 113.A NH2 ASP 117.A OD2 no hydrogen 2.829 N/A ASP 114.A N LYS 110.A O no hydrogen 2.851 N/A ALA 115.A N GLN 111.A O no hydrogen 2.958 N/A CYS 116.A N TRP 112.A O no hydrogen 2.846 N/A CYS 116.A SG TRP 112.A O no hydrogen 3.371 N/A ASP 117.A N ARG 113.A O no hydrogen 2.796 N/A SER 118.A N ASP 114.A O no hydrogen 2.995 N/A ALA 119.A N ALA 115.A O no hydrogen 3.126 N/A LEU 120.A N CYS 116.A O no hydrogen 2.760 N/A ARG 121.A N ASP 117.A O no hydrogen 2.925 N/A TYR 123.A N ALA 119.A O no hydrogen 3.286 N/A TYR 123.A OH GLU 228.A OE1 no hydrogen 2.653 N/A VAL 124.A N LEU 120.A O no hydrogen 2.881 N/A LYS 125.A N ARG 121.A O no hydrogen 2.974 N/A ASP 126.A N ALA 122.A O no hydrogen 3.136 N/A HIS 127.A N TYR 123.A O no hydrogen 3.040 N/A HIS 127.A N VAL 124.A O no hydrogen 3.350 N/A TYR 128.A N VAL 124.A O no hydrogen 2.933 N/A TYR 128.A OH GLU 228.A OE1 no hydrogen 2.479 N/A GLY 131.A N TYR 128.A O no hydrogen 3.146 N/A PHE 132.A N GLU 151.A O no hydrogen 2.835 N/A THR 134.A N CYS 149.A O no hydrogen 2.978 N/A TYR 136.A N ILE 147.A O no hydrogen 2.997 N/A TYR 136.A OH THR 69.A OG1 no hydrogen 2.765 N/A LYS 138.A N THR 145.A O no hydrogen 2.884 N/A LYS 138.A NZ HIS 71.A O no hydrogen 2.662 N/A ILE 140.A N GLN 143.A O no hydrogen 2.985 N/A GLN 143.A N ILE 140.A O no hydrogen 2.838 N/A THR 145.A N LYS 138.A O no hydrogen 2.805 N/A THR 145.A OG1 GLN 143.A O no hydrogen 2.929 N/A ILE 146.A N PHE 171.A O no hydrogen 2.861 N/A ILE 147.A N TYR 136.A O no hydrogen 2.849 N/A ALA 148.A N TRP 169.A O no hydrogen 2.846 N/A CYS 149.A N THR 134.A O no hydrogen 2.877 N/A ILE 150.A N SER 167.A O no hydrogen 2.886 N/A GLU 151.A N PHE 132.A O no hydrogen 2.906 N/A SER 152.A N TRP 165.A O no hydrogen 3.003 N/A HIS 153.A ND1 GLU 151.A OE1 no hydrogen 2.790 N/A GLN 154.A N GLY 163.A O no hydrogen 3.014 N/A GLN 156.A N TRP 161.A O no hydrogen 2.888 N/A GLN 156.A NE2 GLN 154.A OE1 no hydrogen 3.344 N/A ASN 159.A N GLN 156.A O no hydrogen 2.772 N/A ASN 159.A ND2 GLN 156.A OE1 no hydrogen 2.790 N/A PHE 160.A N PRO 157.A O no hydrogen 3.076 N/A TRP 161.A N GLN 156.A O no hydrogen 3.378 N/A ASN 162.A N HIS 189.A O no hydrogen 2.996 N/A ASN 162.A ND2 GLU 20.A OE2 no hydrogen 3.214 N/A GLY 163.A N GLN 154.A O no hydrogen 2.896 N/A ARG 164.A N GLN 187.A O no hydrogen 2.850 N/A ARG 164.A NE GLU 151.A OE1 no hydrogen 2.666 N/A ARG 164.A NH1 GLN 53.A OE1 no hydrogen 3.348 N/A ARG 164.A NH2 GLU 151.A OE1 no hydrogen 2.767 N/A TRP 165.A N SER 152.A O no hydrogen 2.739 N/A TRP 165.A NE1 SER 167.A OG no hydrogen 2.901 N/A ARG 166.A N LYS 185.A O no hydrogen 2.880 N/A ARG 166.A NH1 ASP 52.A O no hydrogen 2.882 N/A ARG 166.A NH1 ASP 52.A OD2 no hydrogen 3.383 N/A SER 167.A N ILE 150.A O no hydrogen 2.921 N/A SER 167.A OG GLU 228.A OE2 no hydrogen 2.803 N/A GLU 168.A N VAL 183.A O no hydrogen 3.004 N/A TRP 169.A N ALA 148.A O no hydrogen 2.891 N/A TRP 169.A NE1 GLU 228.A OE2 no hydrogen 2.714 N/A LYS 170.A N ALA 181.A O no hydrogen 2.742 N/A PHE 171.A N ILE 146.A O no hydrogen 2.730 N/A THR 172.A N GLN 179.A O no hydrogen 2.914 N/A ILE 173.A N GLN 144.A O no hydrogen 2.726 N/A THR 174.A N THR 177.A O no hydrogen 2.778 N/A THR 174.A OG1 THR 174.A O no hydrogen 2.653 N/A THR 174.A OG1 THR 177.A O no hydrogen 3.427 N/A THR 174.A OG1 THR 177.A OG1 no hydrogen 3.340 N/A THR 177.A N THR 174.A O no hydrogen 3.029 N/A THR 177.A OG1 THR 174.A O no hydrogen 3.382 N/A THR 177.A OG1 THR 174.A OG1 no hydrogen 3.340 N/A ALA 178.A N VAL 208.A O no hydrogen 2.936 N/A GLN 179.A N THR 172.A O no hydrogen 3.098 N/A GLN 179.A NE2 SER 207.A OG no hydrogen 2.566 N/A VAL 180.A N ASP 206.A O no hydrogen 2.700 N/A ALA 181.A N LYS 170.A O no hydrogen 2.891 N/A ALA 182.A N ILE 204.A O no hydrogen 2.842 N/A VAL 183.A N GLU 168.A O no hydrogen 3.010 N/A LEU 184.A N LYS 202.A O no hydrogen 2.951 N/A LYS 185.A N ARG 166.A O no hydrogen 2.747 N/A ILE 186.A N SER 200.A O no hydrogen 2.812 N/A GLN 187.A N ARG 164.A O no hydrogen 2.997 N/A GLN 187.A NE2 GLN 197.A OE1 no hydrogen 3.296 N/A VAL 188.A N LEU 198.A O no hydrogen 2.997 N/A HIS 189.A N ASN 162.A O no hydrogen 2.899 N/A HIS 189.A ND1 GLU 20.A OE1 no hydrogen 3.103 N/A HIS 189.A ND1 GLU 20.A OE2 no hydrogen 2.533 N/A HIS 189.A NE2 ASN 195.A OD1 no hydrogen 2.430 N/A TYR 190.A N VAL 196.A O no hydrogen 2.936 N/A TYR 190.A OH GLU 192.A OE1 no hydrogen 2.612 N/A TYR 191.A N PHE 160.A O no hydrogen 2.764 N/A VAL 196.A N TYR 190.A O no hydrogen 2.879 N/A LEU 198.A N VAL 188.A O no hydrogen 2.894 N/A SER 200.A N ILE 186.A O no hydrogen 2.935 N/A SER 200.A OG TYR 231.A OH no hydrogen 2.852 N/A LYS 202.A N LEU 184.A O no hydrogen 2.911 N/A ILE 204.A N ALA 182.A O no hydrogen 2.953 N/A ASP 206.A N VAL 180.A O no hydrogen 2.877 N/A SER 207.A N ASP 206.A OD2 no hydrogen 2.759 N/A VAL 208.A N ALA 178.A O no hydrogen 2.974 N/A VAL 210.A N PRO 176.A O no hydrogen 2.841 N/A SER 211.A N THR 216.A OG1 no hydrogen 2.743 N/A VAL 214.A N ASP 213.A OD1 no hydrogen 2.781 N/A THR 216.A N SER 212.A O no hydrogen 2.888 N/A THR 216.A OG1 SER 212.A O no hydrogen 2.717 N/A ALA 217.A N ASP 213.A O no hydrogen 2.929 N/A LYS 218.A N VAL 214.A O no hydrogen 3.169 N/A GLU 219.A N GLN 215.A O no hydrogen 3.123 N/A PHE 220.A N THR 216.A O no hydrogen 2.748 N/A ILE 221.A N ALA 217.A O no hydrogen 3.089 N/A LYS 222.A N LYS 218.A O no hydrogen 3.228 N/A ILE 223.A N GLU 219.A O no hydrogen 2.976 N/A ILE 224.A N PHE 220.A O no hydrogen 2.917 N/A GLU 225.A N ILE 221.A O no hydrogen 2.871 N/A ASN 226.A N LYS 222.A O no hydrogen 3.052 N/A ALA 227.A N ILE 223.A O no hydrogen 2.984 N/A GLU 228.A N ILE 224.A O no hydrogen 2.813 N/A ASN 229.A N GLU 225.A O no hydrogen 2.877 N/A GLU 230.A N ASN 226.A O no hydrogen 3.014 N/A TYR 231.A N ALA 227.A O no hydrogen 3.133 N/A TYR 231.A OH SER 200.A OG no hydrogen 2.852 N/A GLN 232.A N GLU 228.A O no hydrogen 3.006 N/A THR 233.A N ASN 229.A O no hydrogen 2.812 N/A THR 233.A OG1 ASN 229.A O no hydrogen 3.016 N/A ALA 234.A N GLU 230.A O no hydrogen 2.838 N/A ILE 235.A N TYR 231.A O no hydrogen 2.837 N/A SER 236.A N GLN 232.A O no hydrogen 3.178 N/A SER 236.A OG THR 233.A O no hydrogen 3.428 N/A GLU 237.A N THR 233.A O no hydrogen 3.018 N/A ASN 238.A N ALA 234.A O no hydrogen 2.877 N/A TYR 239.A N ILE 235.A O no hydrogen 2.960 N/A GLN 240.A N SER 236.A O no hydrogen 3.187 N/A THR 241.A N GLU 237.A O no hydrogen 2.981 N/A THR 241.A OG1 GLU 237.A O no hydrogen 3.237 N/A MET 242.A N ASN 238.A O no hydrogen 2.785 N/A SER 243.A N TYR 239.A O no hydrogen 2.922 N/A ASP 244.A N GLN 240.A O no hydrogen 2.927 N/A THR 245.A N THR 241.A O no hydrogen 2.890 N/A THR 245.A OG1 ASP 244.A OD2 no hydrogen 2.946 N/A THR 246.A N THR 241.A O no hydrogen 3.337 N/A PHE 247.A N MET 242.A O no hydrogen 2.915 N/A ALA 249.A N THR 245.A O no hydrogen 3.108 N/A ALA 249.A N THR 246.A O no hydrogen 3.178 N/A LEU 250.A N PHE 247.A O no hydrogen 3.121 N/A ARG 251.A N PHE 247.A O no hydrogen 2.975 N/A ARG 252.A NE LEU 254.A O no hydrogen 2.925 N/A ARG 258.A N PRO 255.A O no hydrogen 2.835 N/A ILE 266.A N ASP 262.A O no hydrogen 3.302 N/A LEU 267.A N TRP 263.A O no hydrogen 3.123 N/A