Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3n4u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N LYS 49.A O no hydrogen 2.747 N/A TYR 4.A OH PRO 48.A O no hydrogen 2.725 N/A THR 5.A N GLN 8.A OE1 no hydrogen 2.964 N/A GLN 8.A N THR 5.A OG1 no hydrogen 3.202 N/A VAL 9.A N THR 5.A O no hydrogen 3.181 N/A GLU 10.A N PHE 6.A O no hydrogen 2.941 N/A LYS 11.A N ASP 7.A O no hydrogen 2.843 N/A LYS 11.A NZ ASP 7.A OD1 no hydrogen 2.422 N/A ALA 12.A N GLN 8.A O no hydrogen 3.044 N/A ILE 13.A N VAL 9.A O no hydrogen 3.157 N/A GLU 14.A N GLU 10.A O no hydrogen 2.976 N/A GLN 15.A N LYS 11.A O no hydrogen 2.952 N/A LEU 16.A N ILE 13.A O no hydrogen 3.140 N/A TYR 17.A N ILE 13.A O no hydrogen 2.689 N/A TYR 17.A OH THR 81.A O no hydrogen 3.162 N/A PHE 20.A N TYR 17.A O no hydrogen 3.137 N/A ASN 23.A N ASN 40.A OD1 no hydrogen 2.701 N/A THR 24.A N ASN 40.A OD1 no hydrogen 3.163 N/A GLU 26.A N GLU 38.A O no hydrogen 3.037 N/A SER 28.A N ALA 36.A O no hydrogen 2.745 N/A GLY 31.A N CYS 34.A O no hydrogen 3.082 N/A ILE 35.A N PHE 47.A O no hydrogen 2.971 N/A ALA 36.A N GLY 29.A O no hydrogen 2.956 N/A TYR 37.A N PHE 45.A O no hydrogen 2.849 N/A GLU 38.A N GLU 26.A O no hydrogen 2.840 N/A ILE 39.A N PHE 43.A O no hydrogen 3.078 N/A ASN 40.A N THR 24.A O no hydrogen 2.949 N/A ASN 40.A ND2 THR 21.A O no hydrogen 2.721 N/A ASP 42.A N ILE 39.A O no hydrogen 3.260 N/A PHE 43.A N ILE 39.A O no hydrogen 3.211 N/A ILE 44.A N PHE 95.A O no hydrogen 2.743 N/A PHE 45.A N TYR 37.A O no hydrogen 2.872 N/A LYS 46.A N ALA 93.A O no hydrogen 2.829 N/A LYS 46.A NZ GLU 60.A OE1 no hydrogen 3.227 N/A LYS 46.A NZ GLU 60.A OE2 no hydrogen 3.116 N/A LYS 46.A NZ ASP 217.A OD1 no hydrogen 2.806 N/A PHE 47.A N ILE 35.A O no hydrogen 3.007 N/A LYS 49.A N ASP 33.A O no hydrogen 2.748 N/A LYS 49.A NZ GLU 30.A OE2 no hydrogen 2.968 N/A LYS 49.A NZ GLY 31.A O no hydrogen 2.745 N/A HIS 50.A NE2 ASN 32.A O no hydrogen 2.469 N/A GLY 53.A N HIS 50.A ND1 no hydrogen 2.927 N/A SER 54.A N HIS 50.A O no hydrogen 2.791 N/A SER 54.A OG MET 90.A O no hydrogen 2.844 N/A THR 55.A N SER 51.A O no hydrogen 2.890 N/A THR 55.A OG1 SER 51.A O no hydrogen 3.137 N/A THR 55.A OG1 GLN 89.A OE1 no hydrogen 3.002 N/A ASN 56.A N ARG 52.A O no hydrogen 2.942 N/A ASN 56.A ND2 ASP 33.A OD2 no hydrogen 2.870 N/A LEU 57.A N GLY 53.A O no hydrogen 3.020 N/A PHE 58.A N SER 54.A O no hydrogen 2.955 N/A ASN 59.A N THR 55.A O no hydrogen 2.835 N/A GLU 60.A N ASN 56.A O no hydrogen 2.798 N/A VAL 61.A N LEU 57.A O no hydrogen 2.936 N/A ASN 62.A N PHE 58.A O no hydrogen 3.059 N/A ILE 63.A N ASN 59.A O no hydrogen 2.846 N/A LEU 64.A N GLU 60.A O no hydrogen 2.791 N/A LYS 65.A N VAL 61.A O no hydrogen 3.015 N/A ARG 66.A N ASN 62.A O no hydrogen 3.047 N/A ILE 67.A N ILE 63.A O no hydrogen 3.010 N/A LYS 70.A N ILE 67.A O no hydrogen 2.996 N/A VAL 79.A N GLY 94.A O no hydrogen 2.833 N/A PHE 80.A N GLY 94.A O no hydrogen 3.082 N/A THR 81.A N TYR 17.A OH no hydrogen 3.045 N/A GLY 82.A N PHE 92.A O no hydrogen 2.734 N/A MET 83.A N SER 91.A OG no hydrogen 2.989 N/A SER 85.A N TYR 88.A O no hydrogen 2.725 N/A TYR 88.A N SER 85.A O no hydrogen 2.752 N/A TYR 88.A OH LYS 49.A O no hydrogen 3.397 N/A MET 90.A N SER 54.A OG no hydrogen 2.934 N/A SER 91.A N MET 83.A O no hydrogen 2.731 N/A ALA 93.A N LYS 46.A O no hydrogen 3.117 N/A GLY 94.A N PHE 80.A O no hydrogen 2.679 N/A PHE 95.A N ILE 44.A O no hydrogen 2.810 N/A THR 96.A N GLU 77.A O no hydrogen 2.997 N/A LYS 97.A N ASP 42.A O no hydrogen 2.736 N/A LYS 97.A NZ GLU 38.A OE1 no hydrogen 2.827 N/A LYS 97.A NZ GLU 38.A OE2 no hydrogen 3.401 N/A VAL 101.A N PHE 205.A O no hydrogen 3.080 N/A LEU 103.A N ILE 203.A O no hydrogen 2.972 N/A LEU 107.A N THR 104.A OG1 no hydrogen 2.978 N/A LEU 108.A N THR 104.A O no hydrogen 2.646 N/A ASN 109.A N PRO 105.A O no hydrogen 2.783 N/A ASN 110.A N LEU 106.A O no hydrogen 3.113 N/A LEU 111.A N LEU 108.A O no hydrogen 3.096 N/A GLN 116.A N PRO 112.A O no hydrogen 3.039 N/A ASN 117.A N LYS 113.A O no hydrogen 3.076 N/A GLN 118.A N GLN 114.A O no hydrogen 3.069 N/A GLN 118.A NE2 ASP 122.A OD1 no hydrogen 2.952 N/A ALA 119.A N SER 115.A O no hydrogen 3.183 N/A ALA 120.A N GLN 116.A O no hydrogen 3.301 N/A LYS 121.A N ASN 117.A O no hydrogen 3.104 N/A ASP 122.A N GLN 118.A O no hydrogen 2.836 N/A LEU 123.A N ALA 119.A O no hydrogen 3.022 N/A ALA 124.A N ALA 120.A O no hydrogen 3.037 N/A ARG 125.A N LYS 121.A O no hydrogen 2.950 N/A PHE 126.A N ASP 122.A O no hydrogen 2.932 N/A LEU 127.A N LEU 123.A O no hydrogen 2.972 N/A SER 128.A N ALA 124.A O no hydrogen 2.934 N/A GLU 129.A N ARG 125.A O no hydrogen 3.212 N/A LEU 130.A N PHE 126.A O no hydrogen 2.989 N/A HIS 131.A N LEU 127.A O no hydrogen 2.809 N/A HIS 131.A ND1 TYR 252.A OH no hydrogen 2.702 N/A HIS 131.A NE2 ASP 229.A OD1 no hydrogen 2.973 N/A SER 132.A N GLU 129.A O no hydrogen 3.181 N/A SER 132.A OG.B SER 128.A O no hydrogen 3.361 N/A SER 132.A OG.B GLU 129.A O no hydrogen 2.770 N/A ILE 133.A N LEU 130.A O no hydrogen 3.219 N/A SER 136.A N ASN 134.A OD1 no hydrogen 2.859 N/A SER 136.A OG ASN 134.A OD1 no hydrogen 2.832 N/A PHE 138.A N ILE 135.A O no hydrogen 3.422 N/A LEU 142.A N LYS 139.A O no hydrogen 3.094 N/A VAL 143.A N SER 140.A O no hydrogen 3.027 N/A LEU 144.A N ILE 223.A O no hydrogen 2.821 N/A ARG 147.A N ASP 145.A OD1 no hydrogen 3.020 N/A ARG 147.A NH1 LEU 181.A O no hydrogen 3.199 N/A LYS 149.A N ASP 145.A O no hydrogen 3.067 N/A ILE 150.A N PHE 146.A O no hydrogen 2.791 N/A ASN 151.A N ARG 147.A O no hydrogen 2.972 N/A GLU 152.A N GLU 148.A O no hydrogen 3.048 N/A ASP 153.A N LYS 149.A O no hydrogen 2.938 N/A ASN 154.A N ILE 150.A O no hydrogen 2.963 N/A ASN 154.A ND2 ASP 174.A OD2 no hydrogen 2.960 N/A LYS 155.A N ASN 151.A O no hydrogen 3.224 N/A LYS 156.A N GLU 152.A O no hydrogen 2.882 N/A ILE 157.A N ASP 153.A O no hydrogen 2.921 N/A LYS 158.A N ASN 154.A O no hydrogen 3.180 N/A LYS 158.A NZ ASP 174.A OD1 no hydrogen 3.066 N/A LYS 158.A NZ ASP 174.A OD2 no hydrogen 3.416 N/A LYS 159.A N LYS 155.A O no hydrogen 3.136 N/A LEU 160.A N LYS 156.A O no hydrogen 2.742 N/A LEU 161.A N ILE 157.A O no hydrogen 2.760 N/A SER 162.A N LYS 159.A O no hydrogen 3.193 N/A SER 162.A OG LYS 159.A O no hydrogen 3.275 N/A GLU 164.A N LEU 161.A O no hydrogen 3.057 N/A LEU 165.A N LEU 161.A O no hydrogen 2.991 N/A GLN 169.A N LYS 166.A O no hydrogen 2.960 N/A MET 170.A N LYS 166.A O no hydrogen 2.977 N/A LYS 171.A N GLY 167.A O no hydrogen 3.039 N/A LYS 172.A N GLN 169.A O no hydrogen 3.073 N/A LYS 172.A NZ GLN 169.A OE1 no hydrogen 2.901 N/A LYS 172.A NZ ARG 296.A O no hydrogen 3.280 N/A LYS 172.A NZ ILE 298.A O no hydrogen 2.823 N/A VAL 173.A N MET 170.A O no hydrogen 3.003 N/A ASP 174.A N MET 170.A O no hydrogen 3.448 N/A ASP 175.A N LYS 171.A O no hydrogen 2.916 N/A PHE 176.A N LYS 172.A O no hydrogen 2.948 N/A TYR 177.A N VAL 173.A O no hydrogen 3.186 N/A ARG 178.A N ASP 174.A O no hydrogen 2.945 N/A ASP 179.A N ASP 175.A O no hydrogen 2.985 N/A ILE 180.A N PHE 176.A O no hydrogen 3.245 N/A LEU 181.A N TYR 177.A O no hydrogen 2.882 N/A GLU 182.A N ARG 178.A O no hydrogen 3.080 N/A GLU 182.A N ASP 179.A O no hydrogen 3.274 N/A ASN 183.A N ILE 180.A O no hydrogen 3.059 N/A ILE 185.A N ASN 183.A OD1 no hydrogen 3.356 N/A TYR 186.A N ASN 183.A O no hydrogen 3.317 N/A PHE 187.A N GLU 184.A O no hydrogen 2.750 N/A LYS 188.A N GLU 184.A O no hydrogen 2.817 N/A CYS 192.A N SER 224.A O no hydrogen 2.882 N/A CYS 192.A SG.A LEU 193.A O no hydrogen 3.687 N/A CYS 192.A SG.B HIS 131.A O no hydrogen 2.995 N/A CYS 192.A SG.B TYR 190.A O no hydrogen 3.956 N/A CYS 192.A SG.B PRO 191.A O no hydrogen 3.220 N/A ILE 194.A N ALA 222.A O no hydrogen 2.730 N/A HIS 195.A N ASP 229.A OD1 no hydrogen 2.983 N/A HIS 195.A NE2 ILE 216.A O no hydrogen 2.764 N/A ASN 196.A N ASP 229.A OD2 no hydrogen 2.872 N/A ASN 196.A ND2 ASP 220.A O no hydrogen 2.832 N/A ASP 197.A N HIS 195.A ND1 no hydrogen 3.230 N/A SER 200.A N GLU 239.A OE1 no hydrogen 3.106 N/A SER 200.A OG GLU 239.A OE1 no hydrogen 3.046 N/A HIS 202.A N SER 199.A O no hydrogen 2.733 N/A HIS 202.A ND1 ASP 217.A OD2 no hydrogen 2.788 N/A ILE 203.A N SER 200.A O no hydrogen 3.335 N/A LEU 204.A N GLY 214.A O no hydrogen 2.939 N/A PHE 205.A N VAL 101.A O no hydrogen 2.705 N/A ASP 206.A N THR 211.A O no hydrogen 2.747 N/A GLU 208.A N ASP 206.A OD1 no hydrogen 2.897 N/A LYS 209.A N ASP 206.A OD1 no hydrogen 3.043 N/A THR 211.A N ASP 206.A O no hydrogen 3.281 N/A CYS 213.A N LEU 204.A O no hydrogen 2.841 N/A CYS 213.A SG LYS 99.A O no hydrogen 3.071 N/A ILE 215.A N PRO 74.A O no hydrogen 2.935 N/A ILE 216.A N HIS 202.A O no hydrogen 3.010 N/A PHE 218.A N GLU 60.A OE1 no hydrogen 2.718 N/A ALA 221.A N PHE 218.A O no hydrogen 3.074 N/A ALA 222.A N ILE 194.A O no hydrogen 3.082 N/A ILE 223.A N LEU 142.A O no hydrogen 2.827 N/A SER 224.A N CYS 192.A O no hydrogen 2.817 N/A ASP 227.A N ASP 225.A OD2 no hydrogen 3.137 N/A ASN 228.A N ASP 225.A O no hydrogen 3.071 N/A ASP 229.A N PRO 226.A O no hydrogen 3.147 N/A PHE 230.A N ASP 227.A O no hydrogen 3.208 N/A ILE 231.A N ASP 227.A O no hydrogen 3.198 N/A SER 232.A N ASN 228.A O no hydrogen 3.272 N/A SER 232.A OG PHE 198.A O no hydrogen 2.815 N/A SER 232.A OG ASN 228.A O no hydrogen 2.843 N/A LEU 233.A N PHE 230.A O no hydrogen 3.001 N/A MET 234.A N ILE 231.A O no hydrogen 3.299 N/A ASP 237.A N GLU 235.A OE2 no hydrogen 2.975 N/A GLU 238.A N GLU 235.A OE1 no hydrogen 2.511 N/A GLU 239.A N GLU 235.A O no hydrogen 2.917 N/A TYR 240.A N LEU 233.A O no hydrogen 2.865 N/A TYR 240.A OH LEU 103.A O no hydrogen 2.494 N/A VAL 245.A N GLY 241.A O no hydrogen 3.135 N/A SER 246.A N MET 242.A O no hydrogen 2.855 N/A SER 246.A OG MET 242.A O no hydrogen 2.618 N/A ILE 248.A N PHE 244.A O no hydrogen 3.249 N/A LEU 249.A N VAL 245.A O no hydrogen 2.877 N/A ASN 250.A N SER 246.A O no hydrogen 2.976 N/A HIS 251.A N LYS 247.A O no hydrogen 3.004 N/A TYR 252.A N ILE 248.A O no hydrogen 2.874 N/A TYR 252.A OH HIS 131.A ND1 no hydrogen 2.702 N/A LYS 253.A N ASN 250.A O no hydrogen 3.034 N/A HIS 254.A N LEU 249.A O no hydrogen 3.122 N/A HIS 254.A NE2 ASP 227.A OD1 no hydrogen 2.643 N/A ASP 256.A N HIS 254.A ND1 no hydrogen 2.957 N/A THR 259.A N ASP 256.A O no hydrogen 3.060 N/A THR 259.A N ASP 256.A OD1 no hydrogen 3.401 N/A THR 259.A OG1 ASP 256.A OD2 no hydrogen 2.374 N/A VAL 260.A N ASP 256.A O no hydrogen 3.349 N/A LEU 261.A N ILE 257.A O no hydrogen 2.939 N/A GLU 262.A N PRO 258.A O no hydrogen 3.068 N/A LYS 263.A N THR 259.A O no hydrogen 3.015 N/A LYS 263.A NZ ASP 225.A OD1 no hydrogen 2.649 N/A LYS 263.A NZ ASP 225.A OD2 no hydrogen 3.505 N/A LYS 263.A NZ ASP 227.A OD2 no hydrogen 2.844 N/A TYR 264.A N VAL 260.A O no hydrogen 2.988 N/A ARG 265.A N LEU 261.A O no hydrogen 3.067 N/A MET 266.A N GLU 262.A O no hydrogen 3.025 N/A LYS 267.A N LYS 263.A O no hydrogen 2.891 N/A GLU 268.A N TYR 264.A O no hydrogen 2.883 N/A TYR 270.A N MET 266.A O no hydrogen 2.938 N/A TYR 270.A OH ASP 153.A OD2 no hydrogen 2.713 N/A TRP 271.A N LYS 267.A O no hydrogen 2.640 N/A SER 272.A OG GLU 268.A O no hydrogen 3.337 N/A PHE 273.A N TYR 270.A O no hydrogen 3.019 N/A GLU 274.A N TYR 270.A O no hydrogen 3.052 N/A LYS 275.A N TRP 271.A O no hydrogen 2.818 N/A ILE 276.A N PHE 273.A O no hydrogen 3.005 N/A ILE 277.A N GLU 274.A O no hydrogen 2.780 N/A GLY 279.A N LYS 275.A O no hydrogen 2.703 N/A LYS 280.A N ILE 276.A O no hydrogen 2.900 N/A LYS 280.A NZ LEU 160.A O no hydrogen 3.366 N/A GLU 281.A N ILE 277.A O no hydrogen 3.138 N/A TYR 282.A N TYR 278.A O no hydrogen 2.596 N/A TYR 284.A N GLY 279.A O no hydrogen 3.021 N/A TYR 288.A N TYR 284.A O no hydrogen 3.158 N/A GLU 289.A N MET 285.A O no hydrogen 2.934 N/A GLU 290.A N ASP 286.A O no hydrogen 3.097 N/A GLY 291.A N TRP 287.A O no hydrogen 3.316 N/A LEU 292.A N TYR 288.A O no hydrogen 3.025 N/A ASN 293.A N GLU 289.A O no hydrogen 2.770 N/A GLU 294.A N GLU 290.A O no hydrogen 2.828 N/A ILE 295.A N GLY 291.A O no hydrogen 3.037 N/A ARG 296.A N LEU 292.A O no hydrogen 3.216 N/A ARG 296.A NH1 GLU 164.A OE2 no hydrogen 3.432 N/A ARG 296.A NH2 GLU 164.A OE2 no hydrogen 2.958 N/A SER 297.A N ASN 293.A O no hydrogen 3.088 N/A SER 297.A OG GLU 294.A O no hydrogen 2.648 N/A ILE 298.A N ILE 295.A O no hydrogen 3.018 N/A LYS 299.A NZ ILE 300.A O no hydrogen 3.244 N/A