Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3n3u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH PRO 85.A O no hydrogen 2.477 N/A GLN 4.A N ASN 2.A OD1 no hydrogen 3.293 N/A LEU 6.A N TYR 3.A O no hydrogen 2.959 N/A ASN 9.A N GLN 94.A OE1 no hydrogen 3.451 N/A LEU 10.A N ASP 8.A OD1 no hydrogen 3.098 N/A ASN 11.A ND2 GLU 206.A O no hydrogen 2.829 N/A LEU 12.A N ASP 8.A OD1 no hydrogen 3.061 N/A LYS 13.A N ASP 8.A OD2 no hydrogen 3.312 N/A LYS 13.A NZ GLN 4.A O no hydrogen 2.789 N/A LYS 13.A NZ LEU 6.A O no hydrogen 2.769 N/A GLY 14.A N ASN 11.A OD1 no hydrogen 3.012 N/A LEU 15.A N ASN 11.A O no hydrogen 3.030 N/A ILE 16.A N LEU 12.A O no hydrogen 2.856 N/A SER 17.A N LYS 13.A O no hydrogen 2.992 N/A LEU 18.A N GLY 14.A O no hydrogen 2.840 N/A GLU 19.A N LEU 15.A O no hydrogen 2.994 N/A ASP 20.A N ILE 16.A O no hydrogen 2.837 N/A ASP 21.A N SER 17.A O no hydrogen 3.050 N/A ARG 22.A N LEU 18.A O no hydrogen 3.053 N/A ARG 22.A NE GLU 19.A OE2 no hydrogen 3.020 N/A ARG 22.A NH1 ASN 78.A OD1 no hydrogen 2.786 N/A ARG 22.A NH2 GLU 19.A OE1 no hydrogen 2.960 N/A ARG 22.A NH2 GLU 19.A OE2 no hydrogen 3.531 N/A ARG 22.A NH2 THR 82.A OG1 no hydrogen 2.921 N/A ASN 23.A N GLU 19.A O no hydrogen 2.764 N/A ALA 24.A N ASP 20.A O no hydrogen 2.889 N/A ASN 25.A N ASP 21.A O no hydrogen 3.183 N/A ASN 25.A N ARG 22.A O no hydrogen 3.095 N/A PHE 26.A N ASN 23.A O no hydrogen 3.176 N/A ASN 29.A N ASN 25.A O no hydrogen 2.925 N/A VAL 30.A N PHE 26.A O no hydrogen 2.857 N/A LYS 32.A N GLU 27.A O no hydrogen 2.775 N/A LYS 32.A NZ GLU 27.A OE2 no hydrogen 3.158 N/A ASN 33.A N VAL 30.A O no hydrogen 2.984 N/A PHE 36.A N ASN 33.A OD1 no hydrogen 3.100 N/A LEU 37.A N ASN 33.A O no hydrogen 2.955 N/A ASP 38.A N GLU 34.A O no hydrogen 2.837 N/A GLU 39.A N LYS 35.A O no hydrogen 3.081 N/A ALA 40.A N PHE 36.A O no hydrogen 2.957 N/A ARG 41.A N LEU 37.A O no hydrogen 2.872 N/A ARG 41.A NE ASP 63.A O no hydrogen 2.894 N/A ARG 41.A NH1 GLU 34.A OE1 no hydrogen 3.072 N/A ARG 41.A NH1 ASP 38.A OD1 no hydrogen 2.947 N/A GLU 42.A N ASP 38.A O no hydrogen 2.891 N/A ILE 43.A N GLU 39.A O no hydrogen 2.785 N/A SER 44.A N ALA 40.A O no hydrogen 2.976 N/A SER 44.A OG ALA 40.A O no hydrogen 3.032 N/A SER 44.A OG LEU 66.A O no hydrogen 2.667 N/A LYS 45.A N ARG 41.A O no hydrogen 2.992 N/A LYS 46.A N ILE 43.A O no hydrogen 3.283 N/A SER 47.A N SER 44.A O no hydrogen 3.291 N/A MET 56.A N THR 52.A O no hydrogen 2.818 N/A SER 57.A N LYS 54.A O no hydrogen 3.124 N/A LEU 59.A N MET 56.A O no hydrogen 2.851 N/A GLU 61.A N GLU 61.A OE1 no hydrogen 2.988 N/A PHE 62.A N LEU 59.A O no hydrogen 3.037 N/A ASP 64.A N GLU 61.A O no hydrogen 2.837 N/A ILE 65.A N GLU 61.A O no hydrogen 2.915 N/A LEU 66.A N PHE 62.A O no hydrogen 3.104 N/A THR 67.A N ASP 64.A O no hydrogen 2.766 N/A THR 67.A OG1 ASP 64.A O no hydrogen 3.130 N/A LYS 71.A N THR 67.A O no hydrogen 3.022 N/A LYS 72.A N GLU 68.A O no hydrogen 3.093 N/A VAL 73.A N GLY 69.A O no hydrogen 3.046 N/A GLU 74.A N ALA 70.A O no hydrogen 3.128 N/A SER 75.A N LYS 71.A O no hydrogen 2.986 N/A SER 75.A OG LYS 71.A O no hydrogen 3.324 N/A ARG 76.A N LYS 72.A O no hydrogen 2.986 N/A ARG 76.A NH2 GLN 265.A O no hydrogen 2.619 N/A ILE 77.A N VAL 73.A O no hydrogen 2.972 N/A ASN 78.A N GLU 74.A O no hydrogen 2.833 N/A ASN 78.A ND2 ASN 23.A OD1 no hydrogen 2.832 N/A LYS 79.A N SER 75.A O no hydrogen 2.987 N/A ALA 80.A N ARG 76.A O no hydrogen 3.168 N/A ALA 80.A N ILE 77.A O no hydrogen 3.082 N/A ILE 81.A N ILE 77.A O no hydrogen 3.107 N/A THR 82.A N ASN 78.A O no hydrogen 3.056 N/A THR 82.A OG1 ASN 78.A O no hydrogen 2.630 N/A PHE 83.A N GLU 19.A OE1 no hydrogen 2.989 N/A ARG 84.A NH1 ASP 20.A OD2 no hydrogen 2.855 N/A ARG 84.A NH2 VAL 1.A O no hydrogen 2.788 N/A SER 86.A N GLU 89.A OE1 no hydrogen 2.698 N/A GLU 89.A N SER 86.A OG no hydrogen 3.196 N/A PHE 90.A N SER 86.A O no hydrogen 2.762 N/A SER 91.A N VAL 87.A O no hydrogen 3.100 N/A SER 91.A OG VAL 87.A O no hydrogen 3.102 N/A GLU 92.A N GLU 88.A O no hydrogen 3.056 N/A ILE 93.A N GLU 89.A O no hydrogen 2.936 N/A GLN 94.A N PHE 90.A O no hydrogen 3.188 N/A GLN 94.A NE2 ASP 8.A OD1 no hydrogen 2.718 N/A ASP 95.A N SER 91.A O no hydrogen 3.018 N/A LEU 96.A N GLU 92.A O no hydrogen 2.930 N/A VAL 97.A N ILE 93.A O no hydrogen 3.078 N/A THR 99.A N LEU 96.A O no hydrogen 3.106 N/A THR 99.A OG1 LEU 96.A O no hydrogen 2.713 N/A LEU 100.A N VAL 97.A O no hydrogen 3.242 N/A THR 103.A N GLY 247.A O no hydrogen 2.864 N/A VAL 105.A N THR 103.A OG1 no hydrogen 3.304 N/A THR 111.A N ASP 108.A OD1 no hydrogen 2.936 N/A THR 111.A OG1 ASP 108.A OD1 no hydrogen 2.674 N/A LYS 112.A N ASP 108.A O no hydrogen 2.979 N/A LYS 112.A NZ ASP 245.A OD1 no hydrogen 3.029 N/A THR 113.A N LEU 109.A O no hydrogen 2.673 N/A THR 113.A OG1 LEU 109.A O no hydrogen 2.791 N/A ASN 114.A N SER 110.A O no hydrogen 2.993 N/A GLU 115.A N THR 111.A O no hydrogen 3.036 N/A ILE 116.A N LYS 112.A O no hydrogen 3.014 N/A THR 117.A N THR 113.A O no hydrogen 3.009 N/A THR 117.A OG1 THR 113.A O no hydrogen 2.806 N/A GLU 118.A N ASN 114.A O no hydrogen 2.916 N/A ALA 119.A N GLU 115.A O no hydrogen 2.966 N/A LEU 120.A N ILE 116.A O no hydrogen 2.950 N/A ALA 121.A N THR 117.A O no hydrogen 2.932 N/A ALA 122.A N GLU 118.A O no hydrogen 3.029 N/A THR 123.A N LEU 120.A O no hydrogen 3.045 N/A THR 123.A OG1 LEU 120.A O no hydrogen 2.827 N/A SER 124.A N ALA 121.A O no hydrogen 3.351 N/A GLN 128.A N SER 124.A O no hydrogen 3.322 N/A GLN 128.A NE2 ALA 121.A O no hydrogen 2.845 N/A ARG 129.A N LYS 125.A O no hydrogen 3.006 N/A ARG 129.A N THR 126.A O no hydrogen 3.261 N/A THR 130.A N ILE 127.A O no hydrogen 3.347 N/A THR 130.A OG1 THR 126.A O no hydrogen 2.728 N/A LYS 134.A N THR 130.A O no hydrogen 3.100 N/A LYS 134.A NZ GLU 118.A OE1 no hydrogen 3.373 N/A LYS 134.A NZ GLU 118.A OE2 no hydrogen 3.106 N/A GLU 135.A N PRO 131.A O no hydrogen 2.973 N/A GLN 136.A N GLU 132.A O no hydrogen 3.277 N/A LEU 137.A N LEU 133.A O no hydrogen 2.975 N/A LYS 138.A N LYS 134.A O no hydrogen 2.935 N/A LYS 138.A NZ ASN 114.A OD1 no hydrogen 2.891 N/A THR 139.A N GLU 135.A O no hydrogen 3.130 N/A THR 139.A OG1 GLU 135.A O no hydrogen 3.369 N/A ALA 140.A N GLN 136.A O no hydrogen 3.195 N/A ILE 141.A N LEU 137.A O no hydrogen 2.968 N/A GLU 142.A N LYS 138.A O no hydrogen 2.887 N/A ASP 143.A N THR 139.A O no hydrogen 2.898 N/A PHE 144.A N ALA 140.A O no hydrogen 2.996 N/A LEU 145.A N ILE 141.A O no hydrogen 2.920 N/A GLN 146.A N GLU 142.A O no hydrogen 2.846 N/A ASN 147.A N ASP 143.A O no hydrogen 2.951 N/A SER 148.A N PHE 144.A O no hydrogen 3.121 N/A SER 148.A OG PHE 144.A O no hydrogen 2.799 N/A SER 148.A OG LEU 145.A O no hydrogen 3.495 N/A LYS 151.A N SER 148.A O no hydrogen 3.266 N/A LEU 153.A N ASN 201.A OD1 no hydrogen 2.929 N/A MET 157.A N THR 154.A OG1 no hydrogen 3.103 N/A ILE 158.A N THR 154.A O no hydrogen 3.333 N/A GLU 159.A N VAL 155.A O no hydrogen 2.827 N/A ASN 160.A N GLN 156.A O no hydrogen 2.972 N/A LEU 161.A N MET 157.A O no hydrogen 2.970 N/A ASN 162.A N ILE 158.A O no hydrogen 2.849 N/A ASN 162.A ND2 GLU 229.A O no hydrogen 2.950 N/A ASN 162.A ND2 GLY 230.A O no hydrogen 3.414 N/A HIS 163.A N GLU 159.A O no hydrogen 3.013 N/A GLY 164.A N ASN 160.A O no hydrogen 2.951 N/A LEU 165.A N LEU 161.A O no hydrogen 2.867 N/A LEU 165.A N ASN 162.A O no hydrogen 3.135 N/A ARG 166.A N HIS 163.A O no hydrogen 3.259 N/A ARG 166.A NE GLU 169.A OE1 no hydrogen 2.789 N/A ARG 166.A NH1 ASN 162.A OD1 no hydrogen 2.874 N/A ARG 166.A NH1 LEU 174.A O no hydrogen 2.960 N/A ARG 166.A NH1 LEU 175.A O no hydrogen 3.352 N/A ARG 166.A NH2 GLU 169.A OE1 no hydrogen 3.542 N/A ARG 166.A NH2 GLU 169.A OE2 no hydrogen 2.922 N/A ARG 166.A NH2 LEU 174.A O no hydrogen 2.843 N/A ASP 168.A N ASP 168.A OD2 no hydrogen 2.522 N/A GLU 169.A N ARG 166.A O no hydrogen 3.186 N/A GLY 172.A N GLU 171.A OE1 no hydrogen 3.269 N/A ARG 173.A NH1 GLY 170.A O no hydrogen 2.979 N/A ARG 173.A NH2 HIS 163.A O no hydrogen 2.992 N/A TYR 176.A OH GLU 159.A OE2 no hydrogen 2.582 N/A LYS 177.A N PRO 226.A O no hydrogen 3.073 N/A LYS 177.A NZ ASN 180.A OD1 no hydrogen 2.848 N/A LYS 177.A NZ SER 184.A O no hydrogen 2.678 N/A LYS 177.A NZ TYR 224.A O no hydrogen 3.254 N/A LYS 177.A NZ HIS 225.A O no hydrogen 2.815 N/A ASN 180.A ND2 SER 184.A O no hydrogen 2.802 N/A SER 184.A N ALA 223.A O no hydrogen 3.329 N/A SER 184.A OG GLU 74.A OE1 no hydrogen 2.927 N/A SER 185.A N GLU 74.A OE2 no hydrogen 2.740 N/A GLU 187.A N GLU 39.A OE1 no hydrogen 2.833 N/A ALA 188.A N SER 185.A OG no hydrogen 3.232 N/A ALA 189.A N SER 185.A O no hydrogen 2.835 N/A LYS 190.A N PRO 186.A O no hydrogen 3.054 N/A ILE 191.A N GLU 187.A O no hydrogen 2.913 N/A GLN 192.A N ALA 188.A O no hydrogen 3.046 N/A GLN 192.A NE2 ALA 188.A O no hydrogen 3.388 N/A LEU 193.A N ALA 189.A O no hydrogen 2.850 N/A ALA 194.A N LYS 190.A O no hydrogen 3.252 N/A GLU 195.A N ILE 191.A O no hydrogen 3.159 N/A THR 196.A N GLN 192.A O no hydrogen 2.953 N/A THR 196.A OG1 GLN 192.A O no hydrogen 2.720 N/A VAL 197.A N LEU 193.A O no hydrogen 3.032 N/A ASP 198.A N ALA 194.A O no hydrogen 3.054 N/A PHE 199.A N GLU 195.A O no hydrogen 2.802 N/A ILE 200.A N THR 196.A O no hydrogen 2.898 N/A ASN 201.A N VAL 197.A O no hydrogen 3.065 N/A ASN 201.A ND2 LEU 153.A O no hydrogen 2.919 N/A ARG 202.A N ASP 198.A O no hydrogen 2.885 N/A ARG 202.A NE GLU 206.A OE2 no hydrogen 2.880 N/A ALA 203.A N PHE 199.A O no hydrogen 2.843 N/A LYS 204.A N ILE 200.A O no hydrogen 3.234 N/A ASN 205.A N ASN 201.A O no hydrogen 3.019 N/A GLU 206.A N ARG 202.A O no hydrogen 2.949 N/A GLU 206.A N ALA 203.A O no hydrogen 3.312 N/A GLY 207.A N LYS 204.A O no hydrogen 3.047 N/A ILE 208.A N ALA 203.A O no hydrogen 2.872 N/A GLU 209.A N LEU 10.A O no hydrogen 2.914 N/A SER 211.A N GLU 209.A OE2 no hydrogen 3.141 N/A SER 211.A OG GLU 209.A OE2 no hydrogen 2.796 N/A VAL 212.A N GLU 209.A O no hydrogen 3.128 N/A VAL 213.A N GLU 209.A O no hydrogen 3.173 N/A GLY 214.A N PRO 210.A O no hydrogen 2.805 N/A ALA 215.A N SER 211.A O no hydrogen 3.221 N/A LEU 216.A N VAL 212.A O no hydrogen 3.019 N/A VAL 217.A N VAL 213.A O no hydrogen 2.845 N/A TYR 218.A N GLY 214.A O no hydrogen 2.909 N/A TYR 218.A OH GLU 259.A OE2 no hydrogen 3.064 N/A GLN 219.A N ALA 215.A O no hydrogen 3.175 N/A GLN 219.A NE2 ALA 80.A O no hydrogen 3.050 N/A GLN 219.A NE2 ILE 262.A O no hydrogen 2.853 N/A ARG 220.A N LEU 216.A O no hydrogen 3.127 N/A ARG 220.A NH1 GLU 19.A OE2 no hydrogen 3.075 N/A ARG 220.A NH2 GLU 19.A OE1 no hydrogen 2.984 N/A LEU 221.A N VAL 217.A O no hydrogen 2.983 N/A ILE 222.A N TYR 218.A O no hydrogen 3.243 N/A ALA 223.A N GLN 219.A O no hydrogen 2.947 N/A TYR 224.A N ARG 220.A O no hydrogen 2.789 N/A HIS 225.A N LEU 221.A O no hydrogen 2.924 N/A ALA 228.A N LEU 175.A O no hydrogen 2.942 N/A ARG 233.A NH1 LEU 165.A O no hydrogen 2.735 N/A ARG 233.A NH1 ASP 168.A OD1 no hydrogen 3.312 N/A ARG 233.A NH1 ASP 168.A OD2 no hydrogen 3.139 N/A ARG 233.A NH2 ASP 168.A OD1 no hydrogen 2.891 N/A MET 234.A N GLY 230.A O no hydrogen 3.037 N/A ALA 235.A N ASN 231.A O no hydrogen 2.931 N/A ARG 236.A N GLY 232.A O no hydrogen 3.150 N/A ARG 236.A NE THR 252.A O no hydrogen 3.300 N/A VAL 237.A N ARG 233.A O no hydrogen 3.186 N/A ILE 238.A N MET 234.A O no hydrogen 3.033 N/A VAL 239.A N ALA 235.A O no hydrogen 2.937 N/A ASN 240.A N ARG 236.A O no hydrogen 3.017 N/A ASN 240.A ND2 PHE 251.A O no hydrogen 2.889 N/A LYS 241.A N VAL 237.A O no hydrogen 2.972 N/A LYS 241.A NZ SER 148.A O no hydrogen 3.517 N/A LYS 241.A NZ SER 148.A OG no hydrogen 3.137 N/A LYS 241.A NZ ASP 245.A OD2 no hydrogen 2.989 N/A ILE 242.A N ILE 238.A O no hydrogen 3.225 N/A LEU 243.A N VAL 239.A O no hydrogen 2.948 N/A LEU 244.A N ASN 240.A O no hydrogen 2.807 N/A ASP 245.A N LYS 241.A O no hydrogen 2.902 N/A ALA 246.A N LEU 243.A O no hydrogen 2.934 N/A GLY 247.A N LEU 244.A O no hydrogen 3.045 N/A TYR 248.A N LEU 243.A O no hydrogen 3.020 N/A TYR 248.A OH GLU 209.A OE2 no hydrogen 2.538 N/A PHE 251.A N ASN 240.A OD1 no hydrogen 2.635 N/A LYS 253.A N THR 252.A OG1 no hydrogen 2.666 N/A PHE 254.A N GLU 259.A OE1 no hydrogen 3.048 N/A SER 255.A OG GLU 257.A OE2 no hydrogen 3.347 N/A PHE 258.A N SER 255.A O no hydrogen 3.224 N/A GLU 259.A N SER 255.A O no hydrogen 3.285 N/A GLN 261.A N PHE 258.A O no hydrogen 2.865 N/A ILE 262.A N GLU 259.A O no hydrogen 3.402 N/A ALA 273.A N GLN 261.A O no hydrogen 2.682 N/A THR 274.A N GLU 277.A OE1 no hydrogen 3.045 N/A SER 275.A OG ILE 81.A O no hydrogen 2.926 N/A SER 276.A OG GLU 89.A OE1 no hydrogen 3.265 N/A VAL 278.A N THR 274.A O no hydrogen 2.900 N/A VAL 279.A N SER 275.A O no hydrogen 3.051 N/A VAL 280.A N SER 276.A O no hydrogen 2.929 N/A GLU 281.A N GLU 277.A O no hydrogen 3.026 N/A PHE 282.A N VAL 278.A O no hydrogen 2.829 N/A LEU 283.A N VAL 279.A O no hydrogen 2.892 N/A LYS 284.A N VAL 280.A O no hydrogen 2.974 N/A GLU 285.A N GLU 281.A O no hydrogen 2.840 N/A LEU 286.A N PHE 282.A O no hydrogen 2.924 N/A ALA 287.A N LEU 283.A O no hydrogen 2.911 N/A LYS 288.A N GLU 285.A O no hydrogen 3.347 N/A LYS 289.A N LEU 286.A O no hydrogen 2.980 N/A SER 291.A OG LYS 288.A O no hydrogen 2.892 N/A