Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a8t_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ LEU 121.A O no hydrogen 3.230 N/A LYS 4.A NZ ASP 124.A OD2 no hydrogen 3.004 N/A LYS 4.A NZ PHE 286.A O no hydrogen 2.805 N/A LYS 4.A NZ GLU 289.A O no hydrogen 3.030 N/A LYS 4.A NZ GLU 289.A OXT no hydrogen 3.353 N/A LEU 5.A N ASP 124.A O no hydrogen 2.982 N/A LEU 6.A N PRO 96.A O no hydrogen 3.032 N/A VAL 7.A N CYS 126.A O no hydrogen 2.706 N/A LEU 8.A N LEU 98.A O no hydrogen 2.782 N/A MET 9.A N LEU 128.A O no hydrogen 2.696 N/A THR 12.A N GLN 232.A OE1 no hydrogen 2.869 N/A THR 14.A N ALA 11.A O no hydrogen 3.242 N/A THR 14.A OG1 ALA 11.A O no hydrogen 2.856 N/A LYS 16.A NZ GLY 10.A O no hydrogen 3.109 N/A LYS 16.A NZ ALA 11.A O no hydrogen 3.125 N/A ARG 18.A NH1 ASP 22.A OD1 no hydrogen 3.476 N/A ARG 18.A NH1 ASP 22.A OD2 no hydrogen 3.550 N/A LEU 19.A N GLY 15.A O no hydrogen 3.101 N/A SER 20.A N LYS 16.A O no hydrogen 3.052 N/A SER 20.A OG SER 17.A O no hydrogen 2.423 N/A ILE 21.A N SER 17.A O no hydrogen 3.017 N/A ASP 22.A N ARG 18.A O no hydrogen 2.857 N/A LEU 23.A N LEU 19.A O no hydrogen 2.898 N/A ALA 24.A N ILE 21.A O no hydrogen 3.046 N/A ALA 25.A N ASP 22.A O no hydrogen 3.130 N/A HIS 26.A N LEU 23.A O no hydrogen 3.056 N/A PHE 27.A N LEU 23.A O no hydrogen 2.932 N/A GLU 30.A N LEU 95.A O no hydrogen 3.113 N/A VAL 31.A N PRO 59.A O no hydrogen 2.910 N/A ILE 32.A N VAL 97.A O no hydrogen 2.918 N/A ASN 33.A N HIS 61.A O no hydrogen 2.894 N/A ASN 33.A ND2 VAL 99.A O no hydrogen 3.475 N/A SER 34.A N VAL 99.A O no hydrogen 2.843 N/A LYS 36.A N SER 102.A OG no hydrogen 2.774 N/A MET 37.A N ASP 35.A OD1 no hydrogen 2.945 N/A GLN 38.A N ASP 35.A OD1 no hydrogen 2.961 N/A GLN 38.A NE2 THR 47.A O no hydrogen 2.979 N/A TYR 40.A N MET 37.A O no hydrogen 3.231 N/A LYS 41.A N VAL 66.A O no hydrogen 2.938 N/A ILE 45.A N GLU 156.A OE2 no hydrogen 2.982 N/A THR 46.A N GLU 156.A OE1 no hydrogen 2.938 N/A THR 46.A OG1 GLU 156.A OE1 no hydrogen 2.569 N/A THR 47.A N LEU 43.A O no hydrogen 2.879 N/A THR 47.A OG1 LEU 43.A O no hydrogen 2.740 N/A ASN 48.A N ILE 45.A O no hydrogen 2.931 N/A LYS 49.A N ASP 44.A O no hydrogen 3.041 N/A LYS 49.A NZ TYR 40.A O no hydrogen 2.905 N/A LYS 49.A NZ GLY 42.A O no hydrogen 2.853 N/A LYS 49.A NZ ASP 44.A OD1 no hydrogen 3.293 N/A LYS 49.A NZ THR 47.A OG1 no hydrogen 3.294 N/A ASP 54.A N SER 51.A OG no hydrogen 3.277 N/A ARG 55.A N VAL 52.A O no hydrogen 2.901 N/A ARG 55.A NE ILE 50.A O no hydrogen 3.054 N/A ARG 55.A NH2 ILE 50.A O no hydrogen 2.656 N/A VAL 58.A N ARG 55.A O no hydrogen 2.775 N/A HIS 61.A N VAL 31.A O no hydrogen 2.694 N/A HIS 61.A NE2 GLU 30.A OE1 no hydrogen 2.831 N/A GLY 64.A N GLN 38.A O no hydrogen 2.832 N/A GLU 65.A N VAL 39.A O no hydrogen 3.056 N/A VAL 66.A N VAL 39.A O no hydrogen 2.957 N/A ALA 69.A N ASP 67.A OD1 no hydrogen 2.715 N/A ARG 70.A N ASP 67.A O no hydrogen 2.816 N/A GLY 71.A N PRO 68.A O no hydrogen 3.019 N/A LEU 73.A N TYR 40.A OH no hydrogen 2.963 N/A THR 74.A N ASP 77.A OD2 no hydrogen 2.623 N/A ASP 77.A N THR 74.A OG1 no hydrogen 2.900 N/A PHE 78.A N THR 74.A O no hydrogen 2.919 N/A ARG 79.A N PRO 75.A O no hydrogen 3.020 N/A ARG 79.A NH1 ALA 108.A O no hydrogen 2.557 N/A ARG 79.A NH1 VAL 111.A O no hydrogen 3.063 N/A ARG 79.A NH2 VAL 111.A O no hydrogen 3.248 N/A SER 80.A N ALA 76.A O no hydrogen 3.234 N/A LEU 81.A N ASP 77.A O no hydrogen 2.965 N/A ALA 82.A N PHE 78.A O no hydrogen 2.766 N/A GLY 83.A N ARG 79.A O no hydrogen 2.937 N/A LYS 84.A N SER 80.A O no hydrogen 3.213 N/A ALA 85.A N LEU 81.A O no hydrogen 3.289 N/A VAL 86.A N ALA 82.A O no hydrogen 2.781 N/A SER 87.A N GLY 83.A O no hydrogen 3.096 N/A GLU 88.A N LYS 84.A O no hydrogen 2.819 N/A ILE 89.A N ALA 85.A O no hydrogen 3.035 N/A THR 90.A N VAL 86.A O no hydrogen 3.255 N/A THR 90.A OG1 VAL 86.A O no hydrogen 2.926 N/A GLY 91.A N SER 87.A O no hydrogen 3.121 N/A ARG 92.A N GLU 88.A O no hydrogen 3.149 N/A ARG 92.A NE GLU 30.A OE2 no hydrogen 2.944 N/A ARG 92.A NH2 GLU 30.A OE1 no hydrogen 2.878 N/A ARG 93.A N THR 90.A O no hydrogen 2.770 N/A LYS 94.A N ILE 89.A O no hydrogen 3.123 N/A LEU 95.A N PRO 28.A O no hydrogen 3.043 N/A VAL 97.A N GLU 30.A O no hydrogen 2.995 N/A LEU 98.A N LEU 6.A O no hydrogen 2.716 N/A VAL 99.A N ILE 32.A O no hydrogen 2.817 N/A GLY 100.A N LEU 8.A O no hydrogen 3.466 N/A SER 102.A N SER 34.A O no hydrogen 3.380 N/A SER 102.A OG SER 34.A O no hydrogen 3.411 N/A PHE 105.A N SER 102.A O no hydrogen 2.767 N/A ILE 106.A N SER 102.A O no hydrogen 2.888 N/A HIS 107.A N ASN 103.A O no hydrogen 2.953 N/A ALA 108.A N SER 104.A O no hydrogen 3.154 N/A LEU 109.A N PHE 105.A O no hydrogen 3.119 N/A LEU 110.A N ILE 106.A O no hydrogen 3.034 N/A VAL 111.A N HIS 107.A O no hydrogen 3.165 N/A ASP 112.A N GLU 120.A O no hydrogen 2.729 N/A GLY 118.A N ASP 115.A O no hydrogen 2.846 N/A LEU 121.A N GLU 120.A OE1 no hydrogen 3.112 N/A ARG 122.A N LEU 110.A O no hydrogen 2.722 N/A ARG 122.A NH1 LEU 109.A O no hydrogen 2.781 N/A ASP 124.A N GLU 3.A O no hydrogen 2.855 N/A CYS 126.A N LEU 5.A O no hydrogen 3.148 N/A LEU 128.A N VAL 7.A O no hydrogen 2.785 N/A TRP 129.A N ARG 247.A O no hydrogen 2.939 N/A VAL 130.A N MET 9.A O no hydrogen 2.822 N/A ASP 131.A N LEU 249.A O no hydrogen 2.692 N/A SER 133.A N THR 252.A OG1 no hydrogen 2.840 N/A LYS 135.A NZ ASP 139.A OD1 no hydrogen 2.753 N/A LYS 135.A NZ ASP 139.A OD2 no hydrogen 2.962 N/A LEU 137.A N SER 133.A O no hydrogen 2.900 N/A THR 138.A N VAL 134.A O no hydrogen 2.629 N/A THR 138.A OG1 VAL 134.A O no hydrogen 3.172 N/A ASP 139.A N LYS 135.A O no hydrogen 3.007 N/A TYR 140.A N VAL 136.A O no hydrogen 2.765 N/A LEU 141.A N LEU 137.A O no hydrogen 2.736 N/A ALA 142.A N THR 138.A O no hydrogen 3.057 N/A LYS 143.A N ASP 139.A O no hydrogen 3.040 N/A LYS 143.A NZ ASP 147.A OD1 no hydrogen 3.378 N/A ARG 144.A N TYR 140.A O no hydrogen 2.789 N/A ARG 144.A NH2 THR 12.A OG1 no hydrogen 2.783 N/A VAL 145.A N LEU 141.A O no hydrogen 3.163 N/A ASP 146.A N ALA 142.A O no hydrogen 3.213 N/A ASP 147.A N LYS 143.A O no hydrogen 2.927 N/A MET 148.A N ARG 144.A O no hydrogen 2.969 N/A LEU 149.A N VAL 145.A O no hydrogen 3.008 N/A GLU 150.A N ASP 146.A O no hydrogen 2.901 N/A LEU 151.A N ASP 147.A O no hydrogen 3.030 N/A GLY 152.A N LEU 149.A O no hydrogen 3.020 N/A MET 153.A N MET 148.A O no hydrogen 2.749 N/A GLU 156.A N GLY 152.A O no hydrogen 3.130 N/A LEU 157.A N MET 153.A O no hydrogen 2.969 N/A ALA 158.A N PHE 154.A O no hydrogen 2.801 N/A GLU 159.A N ASP 155.A O no hydrogen 3.092 N/A PHE 160.A N GLU 156.A O no hydrogen 2.973 N/A TYR 161.A N LEU 157.A O no hydrogen 2.917 N/A GLU 164.A N SER 162.A OG no hydrogen 3.279 N/A ASP 165.A N SER 162.A O no hydrogen 2.925 N/A GLU 170.A N ASP 167.A O no hydrogen 2.916 N/A SER 172.A OG LYS 180.A O no hydrogen 2.577 N/A ALA 173.A N ASP 171.A OD1 no hydrogen 2.720 N/A THR 174.A OG1 GLU 170.A OE2 no hydrogen 2.538 N/A ARG 175.A N SER 172.A O no hydrogen 3.092 N/A ARG 175.A NE ARG 179.A O no hydrogen 2.826 N/A ARG 175.A NH1 GLU 170.A O no hydrogen 3.192 N/A ARG 175.A NH1 ASP 188.A OD2 no hydrogen 3.230 N/A ARG 175.A NH2 ARG 179.A O no hydrogen 3.253 N/A ARG 175.A NH2 ASP 188.A OD2 no hydrogen 2.836 N/A THR 176.A OG1 GLU 72.A OE1 no hydrogen 3.567 N/A GLY 177.A N GLU 72.A OE1 no hydrogen 2.769 N/A ARG 179.A NE ASP 167.A OD1 no hydrogen 3.121 N/A ARG 179.A NE ASP 167.A OD2 no hydrogen 2.613 N/A ARG 179.A NH2 ASP 167.A OD1 no hydrogen 2.634 N/A LYS 180.A N GLY 177.A O no hydrogen 2.785 N/A ALA 181.A N LEU 178.A O no hydrogen 3.185 N/A GLY 183.A N GLU 186.A OE1 no hydrogen 2.612 N/A VAL 184.A N ALA 181.A O no hydrogen 3.121 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.628 N/A PHE 187.A N GLY 183.A O no hydrogen 3.071 N/A ASP 188.A N VAL 184.A O no hydrogen 3.045 N/A ARG 189.A N PRO 185.A O no hydrogen 3.252 N/A PHE 191.A N PHE 187.A O no hydrogen 2.711 N/A GLU 192.A N ASP 188.A O no hydrogen 2.793 N/A PHE 194.A N TYR 190.A O no hydrogen 2.879 N/A ARG 195.A NE GLU 192.A O no hydrogen 3.001 N/A ASP 198.A N ARG 195.A O no hydrogen 2.975 N/A GLU 202.A N GLU 200.A O no hydrogen 3.018 N/A ARG 206.A NH1 LYS 193.A O no hydrogen 3.562 N/A ARG 206.A NH1 GLU 200.A OE2 no hydrogen 3.453 N/A ARG 206.A NH2 LYS 193.A O no hydrogen 3.215 N/A ASP 207.A N PRO 204.A O no hydrogen 3.445 N/A ARG 208.A N GLY 205.A O no hydrogen 3.255 N/A VAL 209.A N ARG 206.A O no hydrogen 2.978 N/A ARG 210.A N ARG 206.A O no hydrogen 3.089 N/A ARG 210.A NH2 ASP 198.A O no hydrogen 3.541 N/A ARG 211.A N ASP 207.A O no hydrogen 3.002 N/A GLY 212.A N ARG 208.A O no hydrogen 3.258 N/A ALA 213.A N VAL 209.A O no hydrogen 2.633 N/A PHE 214.A N ARG 210.A O no hydrogen 2.959 N/A GLU 215.A N ARG 211.A O no hydrogen 3.022 N/A GLU 216.A N GLY 212.A O no hydrogen 2.954 N/A ALA 217.A N ALA 213.A O no hydrogen 2.960 N/A VAL 218.A N PHE 214.A O no hydrogen 2.966 N/A ARG 219.A N GLU 215.A O no hydrogen 3.043 N/A ALA 220.A N GLU 216.A O no hydrogen 2.986 N/A ILE 221.A N ALA 217.A O no hydrogen 2.907 N/A LYS 222.A N VAL 218.A O no hydrogen 3.114 N/A LYS 222.A NZ ASP 146.A OD1 no hydrogen 2.718 N/A GLU 223.A N ARG 219.A O no hydrogen 2.887 N/A ASN 224.A N ALA 220.A O no hydrogen 2.877 N/A ASN 224.A ND2 GLU 186.A OE2 no hydrogen 2.767 N/A THR 225.A N ILE 221.A O no hydrogen 3.207 N/A THR 225.A OG1 ILE 221.A O no hydrogen 2.723 N/A CYS 226.A N LYS 222.A O no hydrogen 3.002 N/A CYS 226.A SG THR 138.A O no hydrogen 3.854 N/A CYS 226.A SG LYS 222.A O no hydrogen 3.079 N/A HIS 227.A N GLU 223.A O no hydrogen 2.873 N/A LEU 228.A N ASN 224.A O no hydrogen 2.872 N/A ALA 229.A N THR 225.A O no hydrogen 2.938 N/A LYS 230.A N CYS 226.A O no hydrogen 3.252 N/A ARG 231.A N HIS 227.A O no hydrogen 3.063 N/A GLN 232.A N LEU 228.A O no hydrogen 3.006 N/A GLN 232.A NE2 GLY 101.A O no hydrogen 3.265 N/A ILE 233.A N ALA 229.A O no hydrogen 3.095 N/A GLY 234.A N LYS 230.A O no hydrogen 3.179 N/A LYS 235.A N ARG 231.A O no hydrogen 3.115 N/A ILE 236.A N GLN 232.A O no hydrogen 2.755 N/A LEU 237.A N ILE 233.A O no hydrogen 2.708 N/A ARG 238.A N GLY 234.A O no hydrogen 2.964 N/A ARG 238.A N LYS 235.A O no hydrogen 2.941 N/A LEU 239.A N ILE 236.A O no hydrogen 3.000 N/A LYS 240.A N ILE 236.A O no hydrogen 3.292 N/A LYS 240.A N LEU 237.A O no hydrogen 3.171 N/A ALA 242.A N ARG 238.A O no hydrogen 3.227 N/A ARG 247.A N PHE 127.A O no hydrogen 2.947 N/A LEU 249.A N TRP 129.A O no hydrogen 2.662 N/A ALA 251.A N ASP 131.A O no hydrogen 2.802 N/A THR 252.A N ASP 250.A OD1 no hydrogen 2.712 N/A THR 252.A OG1 ASP 250.A OD1 no hydrogen 2.624 N/A SER 254.A N ALA 251.A O no hydrogen 3.052 N/A PHE 255.A N ALA 251.A O no hydrogen 3.059 N/A ARG 256.A N THR 252.A O no hydrogen 2.996 N/A ARG 256.A NE GLU 253.A OE2 no hydrogen 3.440 N/A ALA 257.A N GLU 253.A O no hydrogen 3.065 N/A ALA 258.A N SER 254.A O no hydrogen 2.850 N/A MET 259.A N ARG 256.A O no hydrogen 3.027 N/A THR 260.A N ALA 257.A O no hydrogen 3.302 N/A THR 260.A OG1 ALA 257.A O no hydrogen 3.363 N/A GLY 264.A N ASP 262.A O no hydrogen 2.794 N/A CYS 267.A SG SER 254.A O no hydrogen 3.501 N/A THR 268.A N GLY 264.A O no hydrogen 2.753 N/A THR 268.A OG1 GLY 264.A O no hydrogen 2.648 N/A GLU 269.A N GLU 265.A O no hydrogen 3.114 N/A ILE 270.A N LYS 266.A O no hydrogen 3.373 N/A TRP 271.A N CYS 267.A O no hydrogen 3.164 N/A TRP 271.A NE1 ASP 22.A OD2 no hydrogen 2.832 N/A GLU 272.A N THR 268.A O no hydrogen 2.905 N/A LYS 273.A N GLU 269.A O no hydrogen 3.164 N/A GLN 274.A N ILE 270.A O no hydrogen 2.622 N/A VAL 275.A N TRP 271.A O no hydrogen 2.865 N/A LEU 276.A N TRP 271.A O no hydrogen 2.824 N/A GLU 277.A N GLU 272.A O no hydrogen 2.823 N/A SER 279.A N VAL 275.A O no hydrogen 3.341 N/A SER 279.A OG VAL 275.A O no hydrogen 2.765 N/A VAL 280.A N LEU 276.A O no hydrogen 3.027 N/A LYS 281.A N GLU 277.A O no hydrogen 3.301 N/A ILE 282.A N PRO 278.A O no hydrogen 3.035 N/A VAL 283.A N SER 279.A O no hydrogen 2.856 N/A SER 284.A N VAL 280.A O no hydrogen 2.770 N/A ARG 285.A N LYS 281.A O no hydrogen 2.969 N/A PHE 286.A N ILE 282.A O no hydrogen 3.061 N/A LEU 287.A N VAL 283.A O no hydrogen 2.784 N/A