Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2yml_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE ALA 108.A O no hydrogen 2.628 N/A ARG 3.A NH1 ILE 223.A O no hydrogen 3.008 N/A ARG 3.A NH1 LEU 226.A O no hydrogen 2.846 N/A ARG 3.A NH2 ILE 223.A O no hydrogen 3.525 N/A SER 4.A N ALA 228.A O no hydrogen 3.089 N/A SER 4.A OG ALA 228.A OXT no hydrogen 2.981 N/A ILE 6.A N GLU 168.A O no hydrogen 2.828 N/A LEU 7.A N ARG 111.A O no hydrogen 2.866 N/A VAL 8.A N CYS 170.A O no hydrogen 2.869 N/A PHE 9.A N VAL 113.A O no hydrogen 2.811 N/A ASP 10.A N ILE 172.A O no hydrogen 2.934 N/A ASN 12.A ND2 LEU 89.A O no hydrogen 3.387 N/A GLU 13.A N LEU 16.A O no hydrogen 2.790 N/A THR 14.A OG1 ASP 10.A OD2 no hydrogen 2.683 N/A LEU 15.A N VAL 11.A O no hydrogen 2.849 N/A LEU 16.A N VAL 11.A O no hydrogen 3.174 N/A ASP 17.A N PRO 93.A O no hydrogen 2.765 N/A THR 19.A N ASP 17.A OD1 no hydrogen 2.924 N/A THR 19.A OG1 ASP 17.A OD1 no hydrogen 2.627 N/A THR 19.A OG1 ASP 17.A OD2 no hydrogen 3.315 N/A SER 20.A N ASP 17.A O no hydrogen 3.213 N/A SER 20.A OG ASP 17.A O no hydrogen 2.711 N/A LEU 21.A N LEU 18.A O no hydrogen 2.958 N/A SER 22.A N THR 19.A O no hydrogen 3.044 N/A SER 22.A OG.A THR 19.A O no hydrogen 2.966 N/A SER 22.A OG.B THR 19.A O no hydrogen 3.003 N/A LEU 24.A N LEU 21.A O no hydrogen 3.105 N/A PHE 25.A N LEU 21.A O no hydrogen 3.418 N/A GLU 26.A N SER 22.A O no hydrogen 2.835 N/A ARG 27.A N PRO 23.A O no hydrogen 3.017 N/A ARG 27.A NE ASP 81.A OD1 no hydrogen 3.325 N/A ARG 27.A NH1 GLU 84.A OE1 no hydrogen 2.738 N/A ARG 27.A NH1 GLU 84.A OE2 no hydrogen 3.473 N/A ARG 27.A NH2 ASP 81.A OD1 no hydrogen 2.716 N/A ARG 27.A NH2 GLU 84.A OE1 no hydrogen 2.588 N/A VAL 28.A N LEU 24.A O no hydrogen 2.973 N/A PHE 29.A N PHE 25.A O no hydrogen 2.850 N/A LYS 33.A N ASP 31.A OD1 no hydrogen 2.976 N/A VAL 34.A N ASP 31.A O no hydrogen 3.339 N/A LEU 35.A N ALA 32.A O no hydrogen 3.124 N/A ARG 36.A N LYS 33.A O no hydrogen 2.939 N/A ARG 36.A NH1 GLU 13.A OE2 no hydrogen 2.846 N/A GLU 37.A N VAL 34.A O no hydrogen 3.007 N/A TRP 38.A N VAL 34.A O no hydrogen 2.996 N/A TRP 38.A NE1 ALA 62.A O no hydrogen 3.235 N/A PHE 39.A N LEU 35.A O no hydrogen 3.051 N/A GLU 41.A N GLU 37.A O no hydrogen 3.202 N/A LEU 42.A N TRP 38.A O no hydrogen 2.882 N/A ILE 43.A N PHE 39.A O no hydrogen 3.076 N/A LEU 44.A N PRO 40.A O no hydrogen 2.817 N/A TYR 45.A N GLU 41.A O no hydrogen 3.018 N/A SER 46.A N LEU 42.A O no hydrogen 2.986 N/A SER 46.A OG.A ILE 43.A O no hydrogen 2.791 N/A GLN 47.A N ILE 43.A O no hydrogen 3.021 N/A GLN 47.A NE2.A ILE 43.A O no hydrogen 3.528 N/A THR 48.A N LEU 44.A O no hydrogen 2.871 N/A THR 48.A OG1 LEU 44.A O no hydrogen 3.332 N/A LEU 49.A N TYR 45.A O no hydrogen 2.965 N/A THR 50.A N SER 46.A O no hydrogen 3.129 N/A THR 50.A OG1 SER 46.A O no hydrogen 3.167 N/A LEU 51.A N GLN 47.A O no hydrogen 2.860 N/A THR 52.A N THR 48.A O no hydrogen 3.053 N/A THR 52.A N LEU 49.A O no hydrogen 3.150 N/A THR 52.A OG1 THR 48.A O no hydrogen 3.029 N/A THR 52.A OG1 LEU 49.A O no hydrogen 3.325 N/A GLY 53.A N THR 50.A O no hydrogen 3.246 N/A LEU 54.A N LEU 49.A O no hydrogen 2.810 N/A TYR 55.A OH HIS 143.A ND1 no hydrogen 2.627 N/A ARG 56.A NE GLU 60.A OE1 no hydrogen 3.026 N/A ARG 56.A NH2 GLU 60.A OE1 no hydrogen 3.112 N/A GLU 60.A N PRO 57.A O no hydrogen 2.945 N/A ILE 61.A N PRO 57.A O no hydrogen 3.218 N/A ALA 62.A N PHE 58.A O no hydrogen 2.817 N/A ALA 63.A N GLY 59.A O no hydrogen 3.021 N/A ALA 64.A N GLU 60.A O no hydrogen 3.021 N/A VAL 65.A N ILE 61.A O no hydrogen 2.716 N/A PHE 66.A N ALA 62.A O no hydrogen 2.951 N/A GLU 67.A N ALA 63.A O no hydrogen 2.982 N/A MET 68.A N ALA 64.A O no hydrogen 2.993 N/A VAL 69.A N VAL 65.A O no hydrogen 2.855 N/A ALA 70.A N PHE 66.A O no hydrogen 2.963 N/A ALA 71.A N GLU 67.A O no hydrogen 2.945 N/A ASN 72.A N MET 68.A O no hydrogen 2.940 N/A HIS 73.A N VAL 69.A O no hydrogen 2.994 N/A HIS 73.A NE2 GLU 37.A OE1 no hydrogen 2.869 N/A HIS 73.A NE2 GLU 37.A OE2 no hydrogen 3.110 N/A GLN 74.A N ALA 71.A O no hydrogen 2.991 N/A ALA 75.A N ALA 70.A O no hydrogen 2.810 N/A THR 78.A N ASP 81.A OD2 no hydrogen 2.754 N/A ASP 81.A N THR 78.A OG1 no hydrogen 3.324 N/A ILE 82.A N THR 78.A O no hydrogen 3.135 N/A ALA 83.A N PRO 79.A O no hydrogen 2.941 N/A GLU 84.A N ASP 80.A O no hydrogen 2.970 N/A LEU 85.A N ASP 81.A O no hydrogen 2.933 N/A LYS 86.A N ILE 82.A O no hydrogen 3.052 N/A THR 87.A N ALA 83.A O no hydrogen 2.946 N/A THR 87.A OG1 ALA 83.A O no hydrogen 3.161 N/A ARG 88.A N GLU 84.A O no hydrogen 2.786 N/A ARG 88.A NE.A GLU 84.A OE2 no hydrogen 2.740 N/A ARG 88.A NH2.A GLU 84.A OE2 no hydrogen 2.852 N/A ARG 88.A NH2.B SER 91.A OG.B no hydrogen 3.292 N/A LEU 89.A N LEU 85.A O no hydrogen 2.837 N/A THR 90.A N LYS 86.A O no hydrogen 3.252 N/A THR 90.A N THR 87.A O no hydrogen 3.307 N/A THR 90.A OG1 LYS 86.A O no hydrogen 3.002 N/A THR 90.A OG1 THR 87.A O no hydrogen 3.127 N/A SER 91.A N ARG 88.A O no hydrogen 3.140 N/A SER 91.A OG.A THR 87.A O no hydrogen 2.634 N/A SER 91.A OG.B THR 87.A O no hydrogen 2.638 N/A TYR 95.A N LEU 15.A O no hydrogen 3.319 N/A TYR 95.A OH GLU 13.A O no hydrogen 2.728 N/A VAL 98.A N TYR 95.A O no hydrogen 3.113 N/A ALA 101.A N ASP 97.A O no hydrogen 3.430 N/A LEU 102.A N VAL 98.A O no hydrogen 2.822 N/A THR 103.A N ALA 99.A O no hydrogen 2.894 N/A THR 103.A OG1 ALA 99.A O no hydrogen 2.823 N/A ARG 104.A N PRO 100.A O no hydrogen 2.916 N/A ARG 104.A NH1 GLY 216.A O no hydrogen 3.168 N/A ARG 104.A NH2 ASP 220.A OD1 no hydrogen 2.660 N/A LEU 105.A N ALA 101.A O no hydrogen 2.892 N/A GLN 106.A N LEU 102.A O no hydrogen 2.802 N/A ASP 107.A N THR 103.A O no hydrogen 2.867 N/A ALA 108.A N ARG 104.A O no hydrogen 2.999 N/A GLY 109.A N GLN 106.A O no hydrogen 3.019 N/A PHE 110.A N LEU 105.A O no hydrogen 3.118 N/A ARG 111.A N GLY 5.A O no hydrogen 3.087 N/A ARG 111.A NE GLU 137.A OE1 no hydrogen 2.981 N/A ARG 111.A NH2 GLU 137.A OE2 no hydrogen 3.013 N/A VAL 113.A N LEU 7.A O no hydrogen 2.948 N/A THR 114.A N ALA 138.A O no hydrogen 3.052 N/A THR 114.A OG1 HIS 139.A ND1 no hydrogen 2.788 N/A LEU 115.A N PHE 9.A O no hydrogen 2.850 N/A THR 116.A N LEU 140.A O no hydrogen 3.139 N/A SER 118.A N THR 116.A OG1 no hydrogen 3.055 N/A SER 121.A OG PRO 122.A O no hydrogen 3.202 N/A SER 125.A N GLU 128.A OE1 no hydrogen 2.776 N/A SER 125.A OG GLU 128.A OE1 no hydrogen 3.362 N/A GLU 128.A N SER 125.A OG no hydrogen 3.071 N/A LYS 129.A N SER 125.A O no hydrogen 2.872 N/A LYS 129.A NZ.A THR 90.A O no hydrogen 2.687 N/A LYS 129.A NZ.A SER 91.A OG.A no hydrogen 3.254 N/A LYS 129.A NZ.B THR 90.A O no hydrogen 2.794 N/A ALA 130.A N PRO 126.A O no hydrogen 3.049 N/A GLY 131.A N GLU 128.A O no hydrogen 2.920 N/A ILE 132.A N LEU 127.A O no hydrogen 3.021 N/A PHE 135.A N ILE 132.A O no hydrogen 3.307 N/A PHE 136.A N ALA 133.A O no hydrogen 2.934 N/A GLU 137.A N LEU 112.A O no hydrogen 2.997 N/A HIS 139.A ND1 THR 114.A OG1 no hydrogen 2.788 N/A LEU 140.A N THR 114.A O no hydrogen 2.921 N/A VAL 142.A N THR 116.A O no hydrogen 3.187 N/A HIS 143.A N THR 141.A OG1.A no hydrogen 2.919 N/A HIS 143.A ND1 TYR 55.A OH no hydrogen 2.627 N/A SER 145.A N VAL 142.A O no hydrogen 3.011 N/A SER 145.A OG.B VAL 142.A O no hydrogen 2.700 N/A GLN 146.A N VAL 142.A O no hydrogen 3.100 N/A GLN 146.A N HIS 143.A O no hydrogen 3.142 N/A ARG 147.A N SER 145.A OG.B no hydrogen 3.257 N/A ARG 147.A NE.B SER 153.A OG no hydrogen 2.595 N/A ARG 147.A NH1.A GLN 146.A O no hydrogen 3.377 N/A PHE 148.A N THR 50.A OG1 no hydrogen 2.906 N/A LYS 149.A N ASN 117.A OD1 no hydrogen 3.095 N/A LYS 149.A NZ LEU 115.A O no hydrogen 2.860 N/A LYS 149.A NZ ASP 178.A OD2 no hydrogen 2.721 N/A HIS 151.A N PHE 148.A O no hydrogen 3.030 N/A SER 153.A N HIS 151.A ND1 no hydrogen 3.108 N/A SER 153.A OG HIS 151.A ND1 no hydrogen 2.861 N/A VAL 154.A N HIS 151.A O no hydrogen 3.032 N/A TYR 155.A OH ASP 178.A OD1 no hydrogen 2.642 N/A ASP 156.A N PRO 152.A O no hydrogen 2.922 N/A SER 157.A N SER 153.A O no hydrogen 2.802 N/A SER 157.A OG.A SER 153.A O no hydrogen 2.828 N/A SER 157.A OG.A VAL 154.A O no hydrogen 3.240 N/A SER 157.A OG.B SER 153.A O no hydrogen 2.827 N/A THR 158.A N VAL 154.A O no hydrogen 3.201 N/A THR 158.A OG1 VAL 154.A O no hydrogen 2.801 N/A ALA 159.A N TYR 155.A O no hydrogen 2.955 N/A GLU 160.A N ASP 156.A O no hydrogen 3.037 N/A THR 161.A N SER 157.A O no hydrogen 2.931 N/A THR 161.A OG1 SER 157.A O no hydrogen 2.961 N/A LEU 162.A N THR 158.A O no hydrogen 2.969 N/A GLY 163.A N GLU 160.A O no hydrogen 3.013 N/A ALA 164.A N ALA 159.A O no hydrogen 2.880 N/A LYS 165.A N GLU 168.A OE1 no hydrogen 2.828 N/A GLU 168.A N LYS 165.A O no hydrogen 2.904 N/A LEU 169.A N PRO 166.A O no hydrogen 3.086 N/A CYS 170.A N ILE 6.A O no hydrogen 2.981 N/A MET 171.A N ARG 188.A O no hydrogen 2.876 N/A ILE 172.A N VAL 8.A O no hydrogen 2.723 N/A ALA 173.A N GLY 190.A O no hydrogen 3.077 N/A CYS 174.A N THR 14.A OG1 no hydrogen 2.973 N/A CYS 174.A SG THR 14.A OG1 no hydrogen 3.514 N/A CYS 174.A SG HIS 175.A NE2 no hydrogen 3.508 N/A HIS 175.A NE2 GLU 13.A OE1 no hydrogen 2.685 N/A ASP 178.A N HIS 175.A O no hydrogen 2.978 N/A THR 179.A N HIS 175.A O no hydrogen 3.186 N/A THR 179.A OG1 ILE 176.A O no hydrogen 3.166 N/A ILE 180.A N ILE 176.A O no hydrogen 2.946 N/A GLY 181.A N TRP 177.A O no hydrogen 3.005 N/A ALA 182.A N ASP 178.A O no hydrogen 3.023 N/A GLN 183.A N THR 179.A O no hydrogen 2.918 N/A GLN 183.A NE2 GLN 207.A O no hydrogen 2.931 N/A ALA 184.A N ILE 180.A O no hydrogen 2.886 N/A ARG 185.A N ALA 182.A O no hydrogen 2.887 N/A ARG 185.A NE ASP 156.A OD1 no hydrogen 3.038 N/A ARG 185.A NH2 ASP 156.A OD2 no hydrogen 2.721 N/A GLY 186.A N GLN 183.A O no hydrogen 2.993 N/A TRP 187.A N ALA 182.A O no hydrogen 3.188 N/A ARG 188.A N LEU 169.A O no hydrogen 2.942 N/A ARG 188.A NH1.B PRO 166.A O no hydrogen 3.470 N/A GLY 189.A N ASP 209.A OD2 no hydrogen 2.803 N/A GLY 190.A N MET 171.A O no hydrogen 2.742 N/A PHE 191.A N PHE 210.A O no hydrogen 2.712 N/A VAL 192.A N ALA 173.A O no hydrogen 3.114 N/A ALA 193.A N GLY 212.A O no hydrogen 2.839 N/A ARG 194.A N VAL 192.A O no hydrogen 2.845 N/A ARG 194.A NE THR 14.A O no hydrogen 2.997 N/A ARG 194.A NH1 ASP 97.A OD1 no hydrogen 3.387 N/A ARG 194.A NH1 ASP 97.A OD2 no hydrogen 2.747 N/A ARG 194.A NH2 THR 14.A O no hydrogen 3.065 N/A ARG 194.A NH2 ASP 97.A OD1 no hydrogen 2.899 N/A ARG 194.A NH2 ASP 97.A OD2 no hydrogen 3.535 N/A ASN 197.A N ARG 194.A O no hydrogen 3.212 N/A ASN 197.A ND2 GLU 13.A OE2 no hydrogen 2.859 N/A ASN 197.A ND2 ARG 194.A O no hydrogen 3.394 N/A VAL 205.A N LEU 202.A O no hydrogen 3.124 N/A GLN 207.A NE2 LEU 200.A O no hydrogen 2.975 N/A GLN 207.A NE2 VAL 205.A O no hydrogen 3.049 N/A PHE 210.A N GLY 189.A O no hydrogen 3.144 N/A GLY 212.A N PHE 191.A O no hydrogen 2.884 N/A ARG 213.A N GLU 217.A OE1 no hydrogen 2.760 N/A ARG 213.A NE GLU 217.A OE1 no hydrogen 2.999 N/A ARG 213.A NH2 GLU 217.A OE1 no hydrogen 3.570 N/A ARG 213.A NH2 GLU 217.A OE2 no hydrogen 2.959 N/A MET 215.A N ASP 97.A OD2 no hydrogen 2.878 N/A GLU 217.A N ASP 214.A OD1 no hydrogen 2.866 N/A LEU 218.A N ASP 214.A O no hydrogen 3.065 N/A ALA 219.A N MET 215.A O no hydrogen 2.843 N/A ASP 220.A N GLY 216.A O no hydrogen 2.971 N/A GLN 221.A N GLU 217.A O no hydrogen 3.293 N/A GLN 221.A NE2 ILE 211.A O no hydrogen 2.334 N/A LEU 222.A N LEU 218.A O no hydrogen 2.973 N/A ILE 223.A N ALA 219.A O no hydrogen 2.879 N/A ALA 224.A N ASP 220.A O no hydrogen 3.080 N/A SER 225.A N GLN 221.A O no hydrogen 3.074 N/A SER 225.A OG.A GLN 221.A O no hydrogen 3.206 N/A SER 225.A OG.B GLN 221.A O no hydrogen 2.918 N/A LEU 226.A N LEU 222.A O no hydrogen 2.921 N/A THR 227.A OG1 SER 225.A O no hydrogen 3.516 N/A