Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pae_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 6.A N SER 3.A OG no hydrogen 3.051 N/A HIS 7.A N SER 3.A O no hydrogen 2.948 N/A GLU 8.A N SER 4.A O no hydrogen 2.816 N/A LYS 9.A N GLN 5.A O no hydrogen 2.943 N/A ALA 10.A N GLN 6.A O no hydrogen 2.899 N/A ILE 11.A N HIS 7.A O no hydrogen 2.935 N/A LYS 12.A N GLU 8.A O no hydrogen 3.023 N/A LYS 12.A NZ ASP 16.A OD2 no hydrogen 2.856 N/A SER 13.A N LYS 9.A O no hydrogen 3.007 N/A SER 13.A OG ALA 10.A O no hydrogen 2.552 N/A TYR 14.A N ALA 10.A O no hydrogen 3.259 N/A TYR 14.A N ILE 11.A O no hydrogen 2.973 N/A ASP 16.A N LYS 12.A O no hydrogen 2.881 N/A GLU 17.A N SER 13.A O no hydrogen 2.762 N/A ALA 18.A N TYR 14.A O no hydrogen 3.183 N/A GLN 19.A N ASP 16.A O no hydrogen 2.914 N/A THR 20.A N PHE 15.A O no hydrogen 3.219 N/A THR 20.A OG1 GLN 21.A O no hydrogen 3.367 N/A THR 20.A OG1 GLU 220.A O no hydrogen 2.562 N/A GLY 22.A N ASN 37.A OD1 no hydrogen 2.900 N/A VAL 23.A N ASN 218.A O no hydrogen 2.846 N/A ILE 24.A N TYR 35.A O no hydrogen 2.856 N/A ILE 25.A N SER 216.A O no hydrogen 2.805 N/A ILE 26.A N SER 33.A O no hydrogen 2.794 N/A LYS 27.A N PRO 214.A O no hydrogen 2.946 N/A LYS 27.A NZ ASN 150.A OD1 no hydrogen 2.704 N/A LYS 27.A NZ ASP 153.A OD1 no hydrogen 2.905 N/A GLU 28.A N ASN 31.A O no hydrogen 2.935 N/A ASN 31.A N GLU 28.A O no hydrogen 2.941 N/A SER 33.A N ILE 26.A O no hydrogen 2.714 N/A TYR 35.A N ILE 24.A O no hydrogen 2.895 N/A ASN 37.A N GLY 22.A O no hydrogen 3.103 N/A ASN 37.A ND2 ASP 16.A OD1 no hydrogen 2.733 N/A ASN 37.A ND2 THR 20.A O no hydrogen 2.892 N/A ALA 38.A N GLY 22.A O no hydrogen 3.137 N/A ARG 41.A N ALA 38.A O no hydrogen 2.960 N/A ARG 41.A NE ASN 218.A OD1 no hydrogen 2.984 N/A ARG 41.A NH2 ASN 218.A OD1 no hydrogen 2.805 N/A ALA 42.A N LEU 39.A O no hydrogen 3.055 N/A LYS 44.A N ARG 41.A O no hydrogen 3.127 N/A TYR 46.A N ILE 143.A O no hydrogen 2.985 N/A THR 51.A N PRO 48.A O no hydrogen 3.131 N/A THR 51.A OG1 PRO 48.A O no hydrogen 2.717 N/A THR 51.A OG1 GLU 148.A OE1 no hydrogen 2.521 N/A THR 51.A OG1 GLU 148.A OE2 no hydrogen 3.408 N/A PHE 52.A N ALA 49.A O no hydrogen 3.415 N/A ASP 53.A N SER 50.A O no hydrogen 2.990 N/A MET 54.A N THR 51.A O no hydrogen 3.350 N/A LEU 55.A N PHE 52.A O no hydrogen 2.937 N/A ASN 56.A N PHE 52.A O no hydrogen 2.881 N/A ASN 56.A ND2 TYR 102.A O no hydrogen 2.965 N/A ALA 57.A N ASP 53.A O no hydrogen 2.796 N/A LEU 58.A N MET 54.A O no hydrogen 3.101 N/A ILE 59.A N LEU 55.A O no hydrogen 2.903 N/A GLY 60.A N ASN 56.A O no hydrogen 2.895 N/A LEU 61.A N ALA 57.A O no hydrogen 2.961 N/A GLU 62.A N LEU 58.A O no hydrogen 2.986 N/A ASN 63.A N ILE 59.A O no hydrogen 2.979 N/A ASN 63.A ND2 ILE 59.A O no hydrogen 2.957 N/A ASN 63.A ND2 GLU 117.A OE2 no hydrogen 3.286 N/A HIS 64.A N LEU 61.A O no hydrogen 3.007 N/A LYS 65.A N GLY 60.A O no hydrogen 2.770 N/A THR 67.A OG1 ASN 69.A OD1 no hydrogen 3.095 N/A GLU 70.A N THR 67.A O no hydrogen 3.237 N/A PHE 72.A N MET 88.A O no hydrogen 2.610 N/A TRP 74.A N ASP 87.A OD2 no hydrogen 2.826 N/A TRP 74.A NE1 LYS 77.A O no hydrogen 2.800 N/A LYS 77.A N ASP 75.A OD2 no hydrogen 2.829 N/A ARG 79.A N GLU 85.A OE2 no hydrogen 2.714 N/A TRP 84.A N TYR 81.A O no hydrogen 2.835 N/A TRP 84.A NE1 LEU 96.A O no hydrogen 2.951 N/A GLU 85.A N PRO 82.A O no hydrogen 2.968 N/A MET 88.A N PHE 72.A O no hydrogen 2.949 N/A THR 89.A N GLU 92.A OE1 no hydrogen 2.992 N/A GLU 92.A N THR 89.A OG1 no hydrogen 3.147 N/A ALA 93.A N THR 89.A O no hydrogen 2.955 N/A MET 94.A N LEU 90.A O no hydrogen 2.711 N/A ALA 95.A N GLY 91.A O no hydrogen 3.131 N/A LEU 96.A N GLU 92.A O no hydrogen 2.954 N/A SER 97.A N MET 94.A O no hydrogen 3.214 N/A ALA 98.A N ALA 93.A O no hydrogen 2.945 N/A VAL 101.A N ALA 98.A O no hydrogen 3.136 N/A TYR 102.A OH LEU 90.A O no hydrogen 2.848 N/A GLN 103.A N VAL 99.A O no hydrogen 2.746 N/A GLN 103.A NE2 ASP 133.A O no hydrogen 2.800 N/A GLU 104.A N PRO 100.A O no hydrogen 2.974 N/A LEU 105.A N VAL 101.A O no hydrogen 2.828 N/A ALA 106.A N TYR 102.A O no hydrogen 2.960 N/A ARG 107.A N GLN 103.A O no hydrogen 2.954 N/A ARG 107.A NH2 ASP 133.A OD2 no hydrogen 2.745 N/A ARG 108.A N GLU 104.A O no hydrogen 2.959 N/A ARG 108.A NE GLU 104.A OE1 no hydrogen 2.829 N/A ARG 108.A NH1 LYS 65.A O no hydrogen 2.953 N/A ARG 108.A NH1 GLU 70.A OE1 no hydrogen 3.198 N/A ARG 108.A NH1 GLU 70.A OE2 no hydrogen 2.773 N/A ARG 108.A NH2 GLU 70.A OE2 no hydrogen 3.059 N/A ARG 108.A NH2 GLU 104.A OE1 no hydrogen 3.553 N/A THR 109.A N LEU 105.A O no hydrogen 3.001 N/A THR 109.A OG1 LEU 105.A O no hydrogen 3.389 N/A GLY 110.A N ALA 106.A O no hydrogen 2.715 N/A MET 114.A N GLY 110.A O no hydrogen 2.846 N/A GLN 115.A N LEU 111.A O no hydrogen 2.957 N/A GLN 115.A NE2 GLN 115.A O no hydrogen 2.889 N/A GLN 115.A NE2 THR 126.A O no hydrogen 2.825 N/A LYS 116.A N GLU 112.A O no hydrogen 3.241 N/A GLU 117.A N LEU 113.A O no hydrogen 2.952 N/A VAL 118.A N MET 114.A O no hydrogen 2.816 N/A LYS 119.A N GLN 115.A O no hydrogen 2.952 N/A LYS 119.A NZ THR 126.A O no hydrogen 3.112 N/A LYS 119.A NZ THR 126.A OG1 no hydrogen 2.835 N/A ARG 120.A N LYS 116.A O no hydrogen 2.990 N/A ARG 120.A NE GLU 117.A OE1 no hydrogen 3.241 N/A ARG 120.A NH1 PRO 161.A O no hydrogen 2.607 N/A ARG 120.A NH2 GLU 117.A OE2 no hydrogen 2.929 N/A ARG 120.A NH2 PRO 161.A O no hydrogen 3.227 N/A VAL 121.A N GLU 117.A O no hydrogen 3.104 N/A ASN 122.A N LYS 119.A O no hydrogen 2.879 N/A PHE 123.A N VAL 118.A O no hydrogen 3.307 N/A ASN 125.A N LYS 142.A O no hydrogen 2.791 N/A ASN 125.A ND2 PRO 140.A O no hydrogen 2.892 N/A THR 126.A N PHE 123.A O no hydrogen 2.770 N/A THR 126.A OG1 ASN 125.A O no hydrogen 2.802 N/A ASN 127.A N ASN 125.A OD1 no hydrogen 3.116 N/A ILE 128.A N GLN 115.A OE1 no hydrogen 3.143 N/A GLY 129.A N ASN 127.A OD1 no hydrogen 3.184 N/A LEU 137.A N ASN 134.A O no hydrogen 2.997 N/A VAL 138.A N ASN 134.A O no hydrogen 3.242 N/A LYS 142.A N ASN 125.A OD1 no hydrogen 3.149 N/A ILE 143.A N TYR 46.A O no hydrogen 2.979 N/A THR 144.A N GLN 147.A OE1 no hydrogen 3.063 N/A VAL 146.A N ALA 42.A O no hydrogen 3.183 N/A GLN 147.A N THR 144.A OG1 no hydrogen 2.980 N/A GLU 148.A N THR 144.A O no hydrogen 2.915 N/A VAL 149.A N PRO 145.A O no hydrogen 2.992 N/A ASN 150.A N VAL 146.A O no hydrogen 3.085 N/A PHE 151.A N GLN 147.A O no hydrogen 2.958 N/A ALA 152.A N GLU 148.A O no hydrogen 2.977 N/A ASP 153.A N VAL 149.A O no hydrogen 2.903 N/A ASP 154.A N ASN 150.A O no hydrogen 2.918 N/A LEU 155.A N PHE 151.A O no hydrogen 2.958 N/A ALA 156.A N ALA 152.A O no hydrogen 2.804 N/A HIS 157.A N ASP 153.A O no hydrogen 3.207 N/A HIS 157.A N ASP 154.A O no hydrogen 3.148 N/A HIS 157.A ND1 ASP 153.A O no hydrogen 2.907 N/A ASN 158.A N LEU 155.A O no hydrogen 3.052 N/A ASN 158.A ND2 GLU 168.A OE1 no hydrogen 3.359 N/A ARG 159.A N ASP 154.A O no hydrogen 2.798 N/A ARG 159.A NH2 ASP 153.A OD1 no hydrogen 3.512 N/A ARG 159.A NH2 ASP 154.A OD1 no hydrogen 3.100 N/A LEU 160.A N GLN 167.A OE1 no hydrogen 3.171 N/A PHE 162.A N LEU 160.A O no hydrogen 2.915 N/A LYS 163.A N GLU 62.A OE1 no hydrogen 3.063 N/A LYS 163.A N GLU 62.A OE2 no hydrogen 3.422 N/A THR 166.A OG1 GLU 62.A OE1 no hydrogen 2.636 N/A GLN 167.A N LYS 163.A O no hydrogen 3.227 N/A GLN 167.A NE2 ASN 158.A O no hydrogen 3.284 N/A GLN 167.A NE2 PHE 162.A O no hydrogen 2.999 N/A GLN 167.A NE2 LYS 163.A O no hydrogen 3.648 N/A GLU 168.A N LEU 164.A O no hydrogen 2.880 N/A GLU 169.A N GLU 165.A O no hydrogen 2.920 N/A VAL 170.A N THR 166.A O no hydrogen 3.101 N/A LYS 171.A N GLN 167.A O no hydrogen 2.951 N/A LYS 171.A NZ LEU 155.A O no hydrogen 3.445 N/A LYS 171.A NZ ALA 156.A O no hydrogen 3.191 N/A LYS 171.A NZ ASN 158.A OD1 no hydrogen 2.621 N/A LYS 172.A N GLU 168.A O no hydrogen 3.090 N/A MET 173.A N VAL 170.A O no hydrogen 2.862 N/A LEU 174.A N LYS 171.A O no hydrogen 2.996 N/A ILE 176.A N ILE 184.A O no hydrogen 2.877 N/A LYS 177.A N ILE 184.A O no hydrogen 3.279 N/A VAL 179.A N SER 182.A O no hydrogen 2.898 N/A SER 182.A N VAL 179.A O no hydrogen 2.757 N/A LYS 183.A N GLU 206.A O no hydrogen 2.849 N/A ILE 184.A N LYS 177.A O no hydrogen 2.763 N/A TYR 185.A N TRP 204.A O no hydrogen 2.999 N/A ALA 186.A N LEU 174.A O no hydrogen 2.910 N/A LYS 187.A N THR 202.A O no hydrogen 2.816 N/A LYS 187.A NZ SER 50.A O no hydrogen 3.071 N/A LYS 187.A NZ SER 97.A OG no hydrogen 2.948 N/A GLY 189.A N TRP 200.A O no hydrogen 2.940 N/A TRP 190.A NE1 GLN 197.A OE1 no hydrogen 3.324 N/A GLY 191.A N VAL 198.A O no hydrogen 2.880 N/A VAL 198.A N GLY 191.A O no hydrogen 3.380 N/A GLY 199.A N LEU 219.A O no hydrogen 2.767 N/A TRP 200.A N GLY 189.A O no hydrogen 2.868 N/A TRP 200.A NE1 VAL 47.A O no hydrogen 2.815 N/A LEU 201.A N LEU 217.A O no hydrogen 2.988 N/A THR 202.A N LYS 187.A O no hydrogen 3.079 N/A THR 202.A OG1 GLU 148.A OE2 no hydrogen 2.616 N/A THR 202.A OG1 SER 216.A OG no hydrogen 3.016 N/A GLY 203.A N PHE 215.A O no hydrogen 2.970 N/A TRP 204.A N TYR 185.A O no hydrogen 2.786 N/A VAL 205.A N ILE 213.A O no hydrogen 2.804 N/A GLU 206.A N LYS 183.A O no hydrogen 2.815 N/A GLN 207.A N LYS 211.A O no hydrogen 2.796 N/A GLN 207.A NE2 ILE 243.A O no hydrogen 2.766 N/A GLY 210.A N GLN 207.A O no hydrogen 2.757 N/A LYS 211.A N ASN 209.A OD1 no hydrogen 3.359 N/A LYS 212.A NZ ALA 156.A O no hydrogen 3.180 N/A ILE 213.A N VAL 205.A O no hydrogen 2.782 N/A PHE 215.A N GLY 203.A O no hydrogen 2.900 N/A SER 216.A N ILE 25.A O no hydrogen 2.884 N/A SER 216.A OG THR 202.A OG1 no hydrogen 3.016 N/A LEU 217.A N LEU 201.A O no hydrogen 2.789 N/A ASN 218.A N VAL 23.A O no hydrogen 2.844 N/A LEU 219.A N GLY 199.A O no hydrogen 2.935 N/A GLU 220.A N GLN 21.A O no hydrogen 2.931 N/A MET 221.A N GLN 197.A O no hydrogen 3.152 N/A LYS 222.A NZ GLN 21.A OE1 no hydrogen 3.370 N/A LYS 222.A NZ GLU 220.A OE2 no hydrogen 2.786 N/A MET 225.A N LYS 222.A O no hydrogen 3.001 N/A SER 226.A OG SER 228.A OG no hydrogen 2.674 N/A SER 228.A N SER 226.A OG no hydrogen 3.283 N/A SER 228.A OG SER 226.A OG no hydrogen 2.674 N/A SER 228.A OG GLU 232.A OE1 no hydrogen 3.155 N/A ILE 229.A N SER 226.A O no hydrogen 3.143 N/A ARG 230.A N GLY 227.A O no hydrogen 3.150 N/A ARG 230.A NE GLY 227.A O no hydrogen 2.715 N/A ARG 230.A NH1 GLY 227.A O no hydrogen 3.283 N/A ARG 230.A NH2 GLY 189.A O no hydrogen 2.671 N/A ASN 231.A ND2 TYR 235.A OH no hydrogen 3.089 N/A GLU 232.A N SER 228.A O no hydrogen 2.912 N/A ILE 233.A N ILE 229.A O no hydrogen 2.875 N/A THR 234.A N ARG 230.A O no hydrogen 3.132 N/A THR 234.A OG1 ARG 230.A O no hydrogen 2.857 N/A TYR 235.A N ASN 231.A O no hydrogen 2.931 N/A LYS 236.A N GLU 232.A O no hydrogen 3.146 N/A SER 237.A N ILE 233.A O no hydrogen 2.975 N/A SER 237.A OG ILE 233.A O no hydrogen 2.826 N/A LEU 238.A N THR 234.A O no hydrogen 2.916 N/A GLU 239.A N TYR 235.A O no hydrogen 2.801 N/A ASN 240.A N LYS 236.A O no hydrogen 2.880 N/A LEU 241.A N SER 237.A O no hydrogen 3.012 N/A GLY 242.A N GLU 239.A O no hydrogen 2.882 N/A ILE 243.A N LEU 238.A O no hydrogen 2.838 N/A ILE 244.A N LEU 238.A O no hydrogen 3.491 N/A