Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ako_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N ASP 152.A OD2 no hydrogen 3.155 N/A ARG 2.A NE GLU 37.A OE1 no hydrogen 2.965 N/A ARG 2.A NH1 ASP 113.A OD2 no hydrogen 2.934 N/A ARG 2.A NH1 PHE 149.A O no hydrogen 2.849 N/A ARG 2.A NH2 GLU 37.A OE1 no hydrogen 3.156 N/A ARG 2.A NH2 ASP 113.A OD2 no hydrogen 3.151 N/A ILE 3.A N GLU 37.A O no hydrogen 2.784 N/A VAL 4.A N LEU 153.A O no hydrogen 2.853 N/A VAL 5.A N ILE 39.A O no hydrogen 2.793 N/A LYS 6.A N VAL 155.A O no hydrogen 2.822 N/A LYS 6.A NZ ASP 139.A OD1 no hydrogen 2.558 N/A VAL 7.A N VAL 41.A O no hydrogen 2.951 N/A GLY 8.A N LEU 157.A O no hydrogen 3.468 N/A SER 9.A N ASP 137.A OD2 no hydrogen 2.962 N/A HIS 10.A ND1.B SER 13.A O no hydrogen 3.282 N/A ILE 12.A N SER 9.A O no hydrogen 3.131 N/A SER 13.A OG SER 9.A O no hydrogen 2.703 N/A SER 13.A OG SER 47.A OG no hydrogen 2.963 N/A GLU 14.A N THR 17.A O no hydrogen 2.897 N/A THR 17.A OG1 LEU 18.A O no hydrogen 3.322 N/A SER 19.A N ILE 12.A O no hydrogen 2.854 N/A ARG 22.A N SER 19.A OG no hydrogen 3.198 N/A ARG 22.A NE VAL 11.A O no hydrogen 2.586 N/A ARG 22.A NH2 HIS 10.A O.A no hydrogen 2.998 N/A ARG 22.A NH2 HIS 10.A O.B no hydrogen 2.981 N/A ARG 22.A NH2 GLU 14.A OE1 no hydrogen 3.436 N/A LEU 23.A N SER 19.A O no hydrogen 2.809 N/A LYS 24.A N PHE 20.A O no hydrogen 2.748 N/A ASN 25.A N GLU 21.A O no hydrogen 3.172 N/A LEU 26.A N ARG 22.A O no hydrogen 2.906 N/A VAL 27.A N LEU 23.A O no hydrogen 2.888 N/A ALA 28.A N LYS 24.A O no hydrogen 3.069 N/A PHE 29.A N ASN 25.A O no hydrogen 3.101 N/A LEU 30.A N LEU 26.A O no hydrogen 2.827 N/A ALA 31.A N VAL 27.A O no hydrogen 2.932 N/A LYS 32.A N ALA 28.A O no hydrogen 3.234 N/A LEU 33.A N PHE 29.A O no hydrogen 2.885 N/A LYS 35.A N LEU 33.A O no hydrogen 3.029 N/A LYS 35.A NZ TYR 36.A OH no hydrogen 3.194 N/A LYS 35.A NZ LEU 225.A O no hydrogen 2.735 N/A LYS 35.A NZ ASP 228.A OD1 no hydrogen 2.643 N/A TYR 36.A N LEU 33.A O no hydrogen 2.713 N/A TYR 36.A OH LEU 225.A O no hydrogen 2.527 N/A GLU 37.A N LYS 1.A O no hydrogen 3.092 N/A ILE 39.A N ILE 3.A O no hydrogen 2.968 N/A LEU 40.A N PRO 120.A O no hydrogen 3.000 N/A VAL 41.A N VAL 5.A O no hydrogen 2.734 N/A THR 42.A N ILE 122.A O no hydrogen 2.854 N/A THR 42.A OG1 SER 43.A O no hydrogen 2.885 N/A THR 42.A OG1 TYR 78.A OH no hydrogen 2.572 N/A SER 43.A N VAL 7.A O no hydrogen 3.229 N/A SER 43.A OG ASP 137.A OD1 no hydrogen 2.538 N/A ALA 44.A N SER 43.A OG no hydrogen 2.630 N/A SER 47.A OG SER 13.A OG no hydrogen 2.963 N/A ALA 48.A N ALA 44.A O no hydrogen 3.043 N/A GLY 49.A N ALA 45.A O no hydrogen 2.887 N/A HIS 50.A N ILE 46.A O no hydrogen 2.856 N/A THR 51.A N SER 47.A O no hydrogen 3.192 N/A THR 51.A N ALA 48.A O no hydrogen 3.198 N/A THR 51.A OG1 ALA 48.A O no hydrogen 2.549 N/A LYS 52.A N GLY 49.A O no hydrogen 2.862 N/A LEU 53.A N GLY 49.A O no hydrogen 2.877 N/A ILE 55.A N LEU 53.A O no hydrogen 3.067 N/A ARG 57.A NH1 GLU 15.A O no hydrogen 3.422 N/A ARG 57.A NH2 GLU 15.A O no hydrogen 2.755 N/A LYS 58.A N ASP 56.A OD1 no hydrogen 3.123 N/A ILE 61.A N ASN 59.A OD1 no hydrogen 3.039 N/A ASN 62.A ND2 ASP 56.A O no hydrogen 2.910 N/A LYS 63.A N ASN 59.A O no hydrogen 3.114 N/A LYS 63.A NZ LYS 58.A O no hydrogen 3.262 N/A GLN 64.A N LEU 60.A O no hydrogen 3.051 N/A GLN 64.A NE2 ASP 126.A O no hydrogen 2.967 N/A VAL 65.A N ILE 61.A O no hydrogen 3.121 N/A LEU 66.A N ASN 62.A O no hydrogen 2.946 N/A ALA 67.A N LYS 63.A O no hydrogen 2.863 N/A ALA 68.A N GLN 64.A O no hydrogen 2.961 N/A ILE 69.A N VAL 65.A O no hydrogen 3.097 N/A GLY 70.A N LEU 66.A O no hydrogen 2.763 N/A GLN 71.A N ALA 67.A O no hydrogen 2.862 N/A GLN 71.A NE2 GLN 91.A OE1 no hydrogen 2.991 N/A LEU 74.A N GLY 70.A O no hydrogen 2.816 N/A ILE 75.A N GLN 71.A O no hydrogen 3.065 N/A SER 76.A N PRO 72.A O no hydrogen 3.036 N/A SER 76.A OG PHE 73.A O no hydrogen 2.677 N/A VAL 77.A N PHE 73.A O no hydrogen 2.948 N/A TYR 78.A N LEU 74.A O no hydrogen 3.020 N/A TYR 78.A OH THR 42.A OG1 no hydrogen 2.572 N/A ASN 79.A N ILE 75.A O no hydrogen 2.859 N/A ASN 79.A ND2 GLY 89.A O no hydrogen 3.645 N/A GLU 80.A N SER 76.A O no hydrogen 2.984 N/A LEU 81.A N VAL 77.A O no hydrogen 3.204 N/A LEU 82.A N TYR 78.A O no hydrogen 2.861 N/A ALA 83.A N ASN 79.A O no hydrogen 2.978 N/A LYS 84.A N LEU 81.A O no hydrogen 3.342 N/A PHE 85.A N LEU 82.A O no hydrogen 2.854 N/A ASN 86.A N ALA 83.A O no hydrogen 3.061 N/A LYS 87.A N LEU 82.A O no hydrogen 3.101 N/A LYS 87.A NZ GLU 34.A OE1 no hydrogen 2.863 N/A GLY 89.A N ASN 79.A OD1 no hydrogen 2.749 N/A GLY 90.A N LEU 119.A O no hydrogen 2.770 N/A ILE 92.A N ILE 121.A O no hydrogen 2.824 N/A LEU 94.A N ASN 123.A O no hydrogen 3.084 N/A THR 95.A N ASP 98.A OD2 no hydrogen 3.071 N/A ASP 98.A N THR 95.A OG1 no hydrogen 3.184 N/A PHE 99.A N GLY 96.A O no hydrogen 3.110 N/A ASP 100.A N LYS 97.A O no hydrogen 2.976 N/A SER 101.A N ASP 98.A O no hydrogen 3.043 N/A ALA 104.A N SER 101.A OG no hydrogen 3.147 N/A THR 105.A N SER 101.A O no hydrogen 2.965 N/A THR 105.A OG1 ASP 98.A O no hydrogen 3.130 N/A THR 105.A OG1 SER 101.A O no hydrogen 2.759 N/A LYS 106.A N ARG 102.A O no hydrogen 2.945 N/A HIS 107.A N LYS 103.A O no hydrogen 3.046 N/A ALA 108.A N ALA 104.A O no hydrogen 3.058 N/A LYS 109.A N THR 105.A O no hydrogen 2.840 N/A LYS 109.A NZ ASP 113.A OD1 no hydrogen 2.752 N/A ASN 110.A N LYS 106.A O no hydrogen 2.925 N/A ALA 111.A N HIS 107.A O no hydrogen 3.290 N/A ILE 112.A N ALA 108.A O no hydrogen 2.977 N/A ASP 113.A N LYS 109.A O no hydrogen 2.800 N/A ASN 115.A N ASP 113.A O no hydrogen 2.925 N/A GLY 117.A N ILE 114.A O no hydrogen 2.921 N/A LEU 119.A N LEU 88.A O no hydrogen 2.908 N/A ILE 121.A N GLY 90.A O no hydrogen 2.694 N/A ILE 122.A N LEU 40.A O no hydrogen 2.808 N/A ASN 123.A N ILE 92.A O no hydrogen 3.065 N/A ASN 123.A ND2 GLN 71.A OE1 no hydrogen 2.876 N/A GLU 124.A N ASN 123.A OD1 no hydrogen 2.734 N/A ASN 125.A N LEU 94.A O no hydrogen 2.879 N/A ALA 127.A N ASN 125.A OD1 no hydrogen 3.214 N/A ALA 129.A N ASN 125.A O no hydrogen 3.095 N/A GLU 132.A N GLU 124.A OE2 no hydrogen 2.960 N/A VAL 134.A N ILE 130.A O no hydrogen 2.995 N/A PHE 135.A N GLU 131.A O no hydrogen 3.066 N/A ASP 137.A N GLU 132.A O no hydrogen 3.079 N/A ASN 138.A N GLU 132.A OE2 no hydrogen 2.737 N/A ASN 138.A ND2 THR 42.A O no hydrogen 2.965 N/A ASN 138.A ND2 ASN 123.A OD1 no hydrogen 3.015 N/A ASP 139.A N GLY 136.A O no hydrogen 3.096 N/A LEU 141.A N GLU 132.A OE1 no hydrogen 2.934 N/A SER 142.A N ASN 138.A O no hydrogen 2.983 N/A SER 142.A OG ASN 138.A O no hydrogen 3.279 N/A SER 142.A OG ASP 139.A O no hydrogen 2.794 N/A ALA 143.A N ASP 139.A O no hydrogen 3.195 N/A TYR 144.A N SER 140.A O no hydrogen 2.970 N/A ALA 145.A N LEU 141.A O no hydrogen 2.952 N/A THR 146.A N SER 142.A O no hydrogen 2.900 N/A THR 146.A OG1 SER 142.A O no hydrogen 2.819 N/A HIS 147.A N ALA 143.A O no hydrogen 3.202 N/A PHE 148.A N TYR 144.A O no hydrogen 2.865 N/A PHE 149.A N ALA 145.A O no hydrogen 2.860 N/A ASP 150.A N HIS 147.A O no hydrogen 3.014 N/A ALA 151.A N THR 146.A O no hydrogen 2.864 N/A ASP 152.A N ARG 2.A O no hydrogen 2.842 N/A LEU 154.A N LYS 210.A O no hydrogen 3.006 N/A VAL 155.A N VAL 4.A O no hydrogen 2.729 N/A ILE 156.A N PHE 211.A O no hydrogen 2.840 N/A LEU 157.A N LYS 6.A O no hydrogen 2.824 N/A SER 158.A N ALA 213.A O no hydrogen 2.961 N/A SER 158.A OG ASP 159.A OD1 no hydrogen 3.326 N/A ILE 160.A N SER 158.A OG no hydrogen 2.918 N/A PHE 163.A N THR 234.A OG1 no hydrogen 2.855 N/A TYR 164.A OH ASP 161.A OD2 no hydrogen 2.450 N/A ASP 165.A N LYS 175.A O no hydrogen 2.866 N/A LYS 166.A NZ ASP 173.A OD1 no hydrogen 3.341 N/A LYS 166.A NZ ASP 173.A OD2 no hydrogen 2.852 N/A SER 169.A N ASN 167.A OD1 no hydrogen 3.266 N/A GLU 170.A N ASN 167.A O no hydrogen 3.229 N/A PHE 171.A N ASN 167.A O no hydrogen 2.888 N/A ALA 174.A N PHE 171.A O no hydrogen 3.002 N/A LYS 175.A N ASP 165.A OD2 no hydrogen 2.854 N/A ARG 176.A NE GLY 233.A O no hydrogen 2.740 N/A ARG 176.A NH2 GLY 233.A O no hydrogen 3.128 N/A LEU 177.A N PHE 163.A O no hydrogen 2.827 N/A LYS 179.A NZ GLN 230.A OE1 no hydrogen 2.816 N/A ILE 180.A N LEU 235.A O no hydrogen 2.975 N/A TRP 187.A N LYS 184.A O no hydrogen 2.973 N/A LEU 188.A N GLU 185.A O no hydrogen 3.020 N/A THR 196.A N GLY 192.A O no hydrogen 3.448 N/A THR 196.A OG1 ASP 139.A OD2 no hydrogen 2.583 N/A THR 196.A OG1 GLY 193.A O no hydrogen 3.493 N/A LYS 197.A NZ ASP 139.A OD2 no hydrogen 2.858 N/A LYS 197.A NZ GLY 193.A O no hydrogen 2.698 N/A LEU 198.A N ILE 194.A O no hydrogen 2.914 N/A LYS 199.A N VAL 195.A O no hydrogen 2.883 N/A ALA 200.A N THR 196.A O no hydrogen 3.067 N/A ALA 201.A N LYS 197.A O no hydrogen 3.052 N/A LYS 202.A N LEU 198.A O no hydrogen 2.973 N/A LYS 202.A NZ GLU 206.A OE2 no hydrogen 3.508 N/A PHE 203.A N LYS 199.A O no hydrogen 3.160 N/A LEU 204.A N ALA 200.A O no hydrogen 3.022 N/A LEU 205.A N ALA 201.A O no hydrogen 2.773 N/A GLU 206.A N LYS 202.A O no hydrogen 3.054 N/A HIS 207.A N LEU 204.A O no hydrogen 2.919 N/A HIS 207.A ND1 PHE 203.A O no hydrogen 2.666 N/A ASN 208.A N LEU 205.A O no hydrogen 3.282 N/A LYS 209.A N LEU 204.A O no hydrogen 2.893 N/A LYS 209.A NZ HIS 147.A ND1 no hydrogen 3.219 N/A LYS 209.A NZ HIS 147.A O no hydrogen 3.419 N/A LYS 210.A N ASP 152.A O no hydrogen 3.370 N/A LYS 210.A NZ GLU 237.A OE2 no hydrogen 2.736 N/A LEU 212.A N THR 234.A O no hydrogen 2.930 N/A ALA 213.A N ILE 156.A O no hydrogen 3.057 N/A SER 214.A OG ASP 217.A O no hydrogen 3.491 N/A GLY 215.A N SER 158.A O no hydrogen 2.882 N/A PHE 216.A N SER 214.A OG no hydrogen 2.934 N/A ASP 217.A N SER 214.A OG no hydrogen 3.123 N/A SER 219.A N ASP 217.A OD1 no hydrogen 3.097 N/A SER 219.A OG ASP 217.A OD1 no hydrogen 2.679 N/A LYS 222.A N LEU 218.A O no hydrogen 2.793 N/A THR 223.A N SER 219.A O no hydrogen 2.970 N/A THR 223.A OG1 SER 219.A O no hydrogen 2.799 N/A PHE 224.A N VAL 220.A O no hydrogen 3.080 N/A LEU 225.A N ALA 221.A O no hydrogen 3.064 N/A LEU 226.A N LYS 222.A O no hydrogen 2.762 N/A GLU 227.A N THR 223.A O no hydrogen 2.988 N/A LYS 229.A N THR 223.A O no hydrogen 3.181 N/A GLN 230.A NE2 GLU 178.A O no hydrogen 2.967 N/A GLN 230.A NE2 GLY 232.A O no hydrogen 3.328 N/A GLN 230.A NE2 GLY 233.A O no hydrogen 3.085 N/A THR 234.A N LEU 212.A O no hydrogen 2.947 N/A THR 234.A OG1 PHE 163.A O no hydrogen 3.426 N/A THR 234.A OG1 LEU 177.A O no hydrogen 2.685 N/A LEU 235.A N GLU 178.A O no hydrogen 2.941 N/A GLU 237.A N ILE 180.A O no hydrogen 3.119 N/A