Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xdp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 LYS 6.A O no hydrogen 3.108 N/A ASN 2.A ND2 GLY 31.A O no hydrogen 3.175 N/A CYS 5.A N ASN 2.A O no hydrogen 3.038 N/A CYS 5.A SG PRO 3.A O no hydrogen 4.049 N/A LYS 6.A N ASN 2.A OD1 no hydrogen 3.364 N/A ILE 7.A N ASP 251.A OD2 no hydrogen 2.943 N/A PHE 10.A N LYS 39.A O no hydrogen 2.793 N/A SER 13.A N GLU 16.A OE1 no hydrogen 3.134 N/A GLU 16.A N SER 13.A OG no hydrogen 3.109 N/A PHE 17.A N SER 13.A O no hydrogen 2.876 N/A ARG 18.A N MET 14.A O no hydrogen 3.098 N/A ASN 21.A ND2 LEU 146.A O no hydrogen 3.431 N/A TYR 23.A N GLU 19.A O no hydrogen 3.040 N/A LEU 24.A N PHE 20.A O no hydrogen 2.787 N/A ALA 25.A N ASN 21.A O no hydrogen 3.222 N/A TYR 26.A N LYS 22.A O no hydrogen 2.964 N/A MET 27.A N TYR 23.A O no hydrogen 2.861 N/A GLU 28.A N LEU 24.A O no hydrogen 2.943 N/A SER 29.A N ALA 25.A O no hydrogen 2.949 N/A SER 29.A OG TYR 26.A O no hydrogen 2.683 N/A LYS 30.A N TYR 26.A O no hydrogen 3.144 N/A LYS 30.A N MET 27.A O no hydrogen 3.111 N/A GLY 31.A N GLU 28.A O no hydrogen 2.926 N/A ALA 32.A N MET 27.A O no hydrogen 3.070 N/A HIS 33.A NE2 THR 337.A O no hydrogen 3.069 N/A ARG 34.A N GLY 31.A O no hydrogen 3.142 N/A ARG 34.A NE GLU 207.A OE1 no hydrogen 3.516 N/A ARG 34.A NH1 LEU 1.A O no hydrogen 3.139 N/A ARG 34.A NH2 GLU 207.A OE1 no hydrogen 3.505 N/A ARG 34.A NH2 GLU 207.A OE2 no hydrogen 3.310 N/A ALA 35.A N ALA 32.A O no hydrogen 3.344 N/A GLY 36.A N HIS 33.A O no hydrogen 3.048 N/A ALA 38.A N ILE 262.A O no hydrogen 2.887 N/A LYS 39.A N MET 8.A O no hydrogen 2.958 N/A LYS 39.A NZ THR 254.A O no hydrogen 2.829 N/A LYS 39.A NZ GLU 259.A OE1 no hydrogen 2.906 N/A VAL 40.A N PHE 260.A O no hydrogen 2.900 N/A ILE 41.A N PHE 10.A O no hydrogen 2.970 N/A GLU 45.A N GLU 45.A OE1 no hydrogen 2.942 N/A TRP 46.A N PRO 43.A O no hydrogen 3.221 N/A TRP 46.A NE1 GLU 140.A OE1 no hydrogen 2.962 N/A ARG 49.A NE CYS 51.A O no hydrogen 2.855 N/A ARG 49.A NH1 ILE 133.A O no hydrogen 2.962 N/A GLN 50.A N ASP 135.A OD2 no hydrogen 2.762 N/A TYR 52.A OH HIS 194.A ND1 no hydrogen 2.812 N/A ILE 55.A N TYR 52.A O no hydrogen 3.005 N/A ASP 56.A N ASP 53.A O no hydrogen 3.366 N/A ASN 57.A N ASP 54.A O no hydrogen 3.034 N/A ASN 57.A ND2 ASP 54.A OD1 no hydrogen 3.263 N/A LEU 58.A N ILE 55.A O no hydrogen 3.047 N/A ILE 60.A N MET 85.A O no hydrogen 2.749 N/A ILE 64.A N TYR 125.A O no hydrogen 2.713 N/A GLN 65.A N ILE 80.A O no hydrogen 2.910 N/A GLN 66.A N PRO 123.A O no hydrogen 2.828 N/A GLN 66.A NE2 THR 177.A O no hydrogen 2.787 N/A MET 67.A N TYR 78.A O no hydrogen 2.793 N/A THR 69.A N THR 76.A O no hydrogen 2.720 N/A GLN 71.A N LEU 74.A O no hydrogen 3.083 N/A GLN 71.A NE2 GLN 71.A O no hydrogen 2.963 N/A LEU 74.A N GLN 71.A O no hydrogen 3.133 N/A PHE 75.A N LEU 237.A O no hydrogen 3.104 N/A THR 76.A N THR 69.A O no hydrogen 2.791 N/A GLN 77.A N MET 235.A O no hydrogen 2.988 N/A TYR 78.A N MET 67.A O no hydrogen 2.881 N/A ILE 80.A N GLN 65.A O no hydrogen 3.001 N/A LYS 82.A N PRO 63.A O no hydrogen 2.880 N/A MET 85.A N ILE 60.A O no hydrogen 3.147 N/A THR 86.A N GLU 89.A OE1 no hydrogen 2.958 N/A VAL 87.A N LEU 58.A O no hydrogen 2.912 N/A LYS 88.A N ASP 56.A O no hydrogen 3.100 N/A GLU 89.A N THR 86.A OG1 no hydrogen 3.164 N/A PHE 90.A N THR 86.A O no hydrogen 2.875 N/A ARG 91.A N VAL 87.A O no hydrogen 2.765 N/A ARG 91.A NH1 ASP 56.A OD2 no hydrogen 3.136 N/A ARG 91.A NH2 ASP 56.A OD2 no hydrogen 2.876 N/A GLN 92.A N LYS 88.A O no hydrogen 3.031 N/A LEU 93.A N GLU 89.A O no hydrogen 2.891 N/A ALA 94.A N PHE 90.A O no hydrogen 2.818 N/A ASN 95.A N ARG 91.A O no hydrogen 2.905 N/A SER 96.A N LEU 93.A O no hydrogen 2.960 N/A SER 96.A OG LEU 93.A O no hydrogen 2.608 N/A TYR 99.A N SER 96.A O no hydrogen 3.061 N/A CYS 100.A N SER 96.A O no hydrogen 2.754 N/A CYS 100.A SG GLY 97.A O no hydrogen 3.985 N/A CYS 100.A SG THR 101.A O no hydrogen 3.737 N/A THR 101.A OG1 HIS 274.A O no hydrogen 2.510 N/A LEU 105.A N ASP 109.A OD2 no hydrogen 2.987 N/A TYR 107.A OH GLU 256.A OE2 no hydrogen 2.429 N/A ASP 109.A N ASP 106.A OD1 no hydrogen 2.848 N/A LEU 110.A N ASP 106.A O no hydrogen 3.055 N/A GLU 111.A N TYR 107.A O no hydrogen 2.942 N/A ARG 112.A N GLU 108.A O no hydrogen 3.120 N/A LYS 113.A N ASP 109.A O no hydrogen 3.057 N/A LYS 113.A NZ ARG 103.A O no hydrogen 3.141 N/A TYR 114.A N LEU 110.A O no hydrogen 2.887 N/A TYR 114.A OH THR 177.A OG1 no hydrogen 2.530 N/A TRP 115.A N GLU 111.A O no hydrogen 3.312 N/A TRP 115.A NE1 TYR 202.A OH no hydrogen 2.979 N/A LYS 116.A N ARG 112.A O no hydrogen 3.067 N/A ASN 117.A N TYR 114.A O no hydrogen 3.359 N/A ASN 117.A ND2 LYS 113.A O no hydrogen 2.771 N/A PHE 120.A N ASN 117.A O no hydrogen 3.122 N/A TYR 125.A N ILE 64.A O no hydrogen 2.860 N/A GLY 126.A N PHE 171.A O no hydrogen 2.976 N/A ILE 129.A N LEU 169.A O no hydrogen 3.365 N/A GLY 131.A N PRO 167.A O no hydrogen 2.955 N/A SER 132.A OG GLU 280.A OE1 no hydrogen 3.454 N/A SER 132.A OG GLU 280.A OE2 no hydrogen 2.471 N/A ILE 133.A N GLU 280.A OE1 no hydrogen 3.111 N/A TYR 134.A N SER 132.A OG no hydrogen 3.336 N/A TYR 134.A OH TRP 141.A O no hydrogen 2.617 N/A ASP 135.A N PRO 48.A O no hydrogen 2.897 N/A GLU 136.A N GLU 136.A OE1 no hydrogen 2.542 N/A TRP 141.A NE1 PHE 17.A O no hydrogen 2.609 N/A ASN 142.A ND2 VAL 138.A O no hydrogen 2.701 N/A ALA 144.A N ASN 142.A OD1 no hydrogen 3.144 N/A ARG 145.A N ASN 142.A O no hydrogen 2.940 N/A ARG 145.A NH2 ASP 139.A OD1 no hydrogen 2.980 N/A THR 148.A N ASP 151.A OD2 no hydrogen 2.939 N/A LEU 150.A N THR 148.A OG1 no hydrogen 3.415 N/A ASP 151.A N THR 148.A O no hydrogen 2.906 N/A VAL 152.A N THR 148.A O no hydrogen 3.150 N/A VAL 153.A N VAL 149.A O no hydrogen 3.290 N/A GLU 154.A N LEU 150.A O no hydrogen 3.306 N/A GLU 155.A N ASP 151.A O no hydrogen 2.869 N/A GLU 156.A N VAL 152.A O no hydrogen 2.864 N/A CYS 157.A N VAL 153.A O no hydrogen 2.887 N/A GLY 158.A N GLU 154.A O no hydrogen 2.913 N/A ILE 159.A N VAL 153.A O no hydrogen 3.393 N/A SER 160.A OG GLU 162.A OE2 no hydrogen 2.760 N/A GLU 162.A N SER 160.A OG no hydrogen 3.107 N/A VAL 164.A N ILE 161.A O no hydrogen 3.216 N/A ASN 165.A ND2 ASP 151.A OD1 no hydrogen 2.765 N/A ASN 165.A ND2 GLU 154.A OE1 no hydrogen 2.848 N/A THR 166.A OG1 GLY 163.A O no hydrogen 2.731 N/A TYR 168.A N SER 281.A O no hydrogen 2.789 N/A TYR 168.A OH GLY 163.A O no hydrogen 2.807 N/A LEU 169.A N ILE 129.A O no hydrogen 2.766 N/A TYR 170.A N ALA 279.A O no hydrogen 2.824 N/A TYR 170.A OH.A ASP 128.A OD1 no hydrogen 3.227 N/A TYR 170.A OH.B THR 176.A OG1 no hydrogen 3.366 N/A PHE 171.A N GLY 126.A O no hydrogen 2.687 N/A GLY 172.A N ASN 277.A O no hydrogen 3.120 N/A GLY 172.A N ASN 277.A OD1 no hydrogen 3.120 N/A LYS 175.A N ASN 273.A O no hydrogen 3.013 N/A LYS 175.A NZ ASN 117.A O no hydrogen 2.893 N/A LYS 175.A NZ VAL 121.A O no hydrogen 2.691 N/A THR 176.A N MET 173.A O no hydrogen 3.141 N/A THR 176.A OG1 TYR 170.A OH.B no hydrogen 3.366 N/A THR 176.A OG1 MET 173.A O no hydrogen 2.856 N/A THR 177.A N GLN 66.A OE1 no hydrogen 2.792 N/A THR 177.A OG1 TYR 114.A OH no hydrogen 2.530 N/A PHE 178.A N GLY 271.A O no hydrogen 2.945 N/A TRP 180.A N THR 236.A O no hydrogen 3.143 N/A TRP 180.A NE1 ILE 238.A O no hydrogen 2.902 N/A HIS 181.A N HIS 269.A O no hydrogen 3.034 N/A HIS 181.A ND1 ALA 179.A O no hydrogen 2.909 N/A THR 182.A OG1 ASP 186.A OD1 no hydrogen 2.714 N/A ASP 186.A N GLU 183.A O no hydrogen 2.816 N/A LEU 187.A N ASP 184.A O no hydrogen 3.056 N/A TYR 188.A N PHE 284.A O no hydrogen 3.106 N/A TYR 188.A OH GLU 28.A OE2 no hydrogen 2.541 N/A TYR 188.A OH THR 286.A OG1 no hydrogen 2.843 N/A SER 189.A N THR 263.A O no hydrogen 3.143 N/A SER 189.A OG THR 263.A OG1 no hydrogen 2.320 N/A ILE 190.A N THR 282.A O no hydrogen 3.089 N/A ASN 191.A N MET 261.A O no hydrogen 2.819 N/A TYR 192.A N GLU 280.A O no hydrogen 2.876 N/A LEU 193.A N GLU 259.A O no hydrogen 3.260 N/A HIS 194.A N CYS 278.A O no hydrogen 2.793 N/A HIS 194.A ND1 TYR 52.A OH no hydrogen 2.812 N/A HIS 194.A NE2 GLU 280.A OE1 no hydrogen 2.811 N/A GLU 197.A N PHE 276.A O no hydrogen 2.708 N/A LYS 199.A N GLN 255.A O no hydrogen 3.018 N/A LYS 199.A NZ ASN 273.A OD1 no hydrogen 2.736 N/A SER 200.A N PHE 272.A O no hydrogen 3.010 N/A SER 200.A OG THR 254.A OG1 no hydrogen 3.062 N/A SER 200.A OG HIS 274.A NE2 no hydrogen 2.667 N/A TRP 201.A N ILE 253.A O no hydrogen 2.818 N/A TRP 201.A NE1 GLN 255.A OE1 no hydrogen 2.961 N/A TYR 202.A N ALA 270.A O no hydrogen 2.762 N/A TYR 202.A OH GLU 111.A OE2 no hydrogen 2.610 N/A ALA 203.A N ASP 251.A O no hydrogen 2.981 N/A ILE 204.A N TYR 268.A O no hydrogen 2.891 N/A HIS 208.A N PRO 205.A O no hydrogen 2.849 N/A GLY 209.A N PRO 206.A O no hydrogen 3.060 N/A ARG 211.A N HIS 208.A O no hydrogen 3.098 N/A ARG 211.A NH2 GLY 247.A O no hydrogen 2.467 N/A LEU 212.A N HIS 208.A O no hydrogen 3.211 N/A GLU 213.A N GLY 209.A O no hydrogen 3.035 N/A ARG 214.A N LYS 210.A O no hydrogen 3.080 N/A LEU 215.A N ARG 211.A O no hydrogen 3.101 N/A ALA 216.A N LEU 212.A O no hydrogen 2.857 N/A GLN 217.A N GLU 213.A O no hydrogen 2.893 N/A GLY 218.A N ARG 214.A O no hydrogen 3.097 N/A PHE 219.A N LEU 215.A O no hydrogen 3.059 N/A PHE 220.A N ALA 216.A O no hydrogen 2.708 N/A SER 224.A N PHE 220.A O no hydrogen 3.043 N/A GLN 225.A N PRO 221.A O no hydrogen 2.805 N/A GLN 225.A NE2 PRO 221.A O no hydrogen 3.569 N/A GLY 226.A N SER 222.A O no hydrogen 3.141 N/A CYS 227.A N SER 223.A O no hydrogen 3.165 N/A CYS 227.A SG HIS 233.A NE2 no hydrogen 3.428 N/A PHE 230.A N CYS 227.A O no hydrogen 3.222 N/A ARG 232.A N ALA 229.A O no hydrogen 2.940 N/A ARG 232.A NE LYS 297.A O no hydrogen 2.696 N/A ARG 232.A NH1 GLU 183.A O no hydrogen 2.965 N/A ARG 232.A NH1 ASP 186.A OD1 no hydrogen 3.514 N/A ARG 232.A NH2 ASP 186.A OD1 no hydrogen 2.811 N/A ARG 232.A NH2 LYS 297.A O no hydrogen 2.919 N/A HIS 233.A N PHE 230.A O no hydrogen 2.717 N/A LYS 234.A N LEU 231.A O no hydrogen 2.908 N/A LEU 237.A N PHE 75.A O no hydrogen 2.932 N/A SER 239.A N GLY 73.A O no hydrogen 2.953 N/A LEU 243.A N SER 239.A O no hydrogen 3.144 N/A LYS 244.A N PRO 240.A O no hydrogen 2.993 N/A LYS 245.A N SER 241.A O no hydrogen 3.166 N/A TYR 246.A N VAL 242.A O no hydrogen 3.058 N/A TYR 246.A N LEU 243.A O no hydrogen 3.288 N/A GLY 247.A N LYS 244.A O no hydrogen 3.264 N/A ILE 248.A N LEU 243.A O no hydrogen 2.961 N/A ASP 251.A N ALA 203.A O no hydrogen 2.967 N/A LYS 252.A N ASP 251.A OD1 no hydrogen 2.852 N/A LYS 252.A NZ GLU 111.A OE1 no hydrogen 2.691 N/A ILE 253.A N TRP 201.A O no hydrogen 3.047 N/A THR 254.A OG1 SER 200.A OG no hydrogen 3.062 N/A GLN 255.A N LYS 199.A O no hydrogen 2.687 N/A GLN 255.A NE2 ASN 191.A O no hydrogen 3.257 N/A GLN 255.A NE2 ASN 191.A OD1 no hydrogen 3.021 N/A GLN 255.A NE2 GLU 259.A O no hydrogen 2.925 N/A GLU 256.A N GLU 259.A OE1 no hydrogen 2.911 N/A GLY 258.A N LEU 193.A O no hydrogen 2.714 N/A GLU 259.A N GLU 256.A O no hydrogen 3.026 N/A PHE 260.A N VAL 40.A O no hydrogen 2.892 N/A MET 261.A N ASN 191.A O no hydrogen 2.880 N/A ILE 262.A N ALA 38.A O no hydrogen 2.850 N/A THR 263.A N SER 189.A O no hydrogen 2.952 N/A THR 263.A OG1 SER 189.A OG no hydrogen 2.320 N/A PHE 264.A N GLY 36.A O no hydrogen 2.945 N/A TYR 266.A OH GLU 213.A OE2 no hydrogen 2.637 N/A GLY 267.A N PHE 264.A O no hydrogen 2.902 N/A TYR 268.A OH GLU 213.A OE2 no hydrogen 2.558 N/A HIS 269.A N HIS 181.A O no hydrogen 2.907 N/A HIS 269.A ND1 GLY 267.A O no hydrogen 2.948 N/A ALA 270.A N TYR 202.A O no hydrogen 3.151 N/A GLY 271.A N PHE 178.A O no hydrogen 2.981 N/A PHE 272.A N SER 200.A O no hydrogen 3.031 N/A ASN 273.A N THR 176.A O no hydrogen 2.981 N/A ASN 273.A ND2 THR 176.A OG1 no hydrogen 2.711 N/A HIS 274.A N PRO 198.A O no hydrogen 2.849 N/A HIS 274.A NE2 SER 200.A OG no hydrogen 2.667 N/A ASN 277.A N GLY 172.A O no hydrogen 3.106 N/A ASN 277.A ND2 GLU 197.A O no hydrogen 2.930 N/A ASN 277.A ND2 ASN 273.A OD1 no hydrogen 2.802 N/A CYS 278.A N PHE 195.A O no hydrogen 2.996 N/A ALA 279.A N TYR 170.A O no hydrogen 2.980 N/A GLU 280.A N TYR 192.A O no hydrogen 3.000 N/A SER 281.A N TYR 168.A O no hydrogen 2.839 N/A THR 282.A N ILE 190.A O no hydrogen 3.265 N/A THR 282.A OG1 VAL 164.A O no hydrogen 3.171 N/A THR 282.A OG1 THR 166.A O no hydrogen 2.834 N/A ASN 283.A N VAL 164.A O no hydrogen 2.921 N/A ASN 283.A ND2 GLU 183.A OE1 no hydrogen 3.021 N/A ASN 283.A ND2 TYR 188.A O no hydrogen 2.965 N/A PHE 284.A N TYR 188.A O no hydrogen 3.157 N/A ALA 285.A N THR 148.A OG1 no hydrogen 3.270 N/A THR 286.A OG1 TYR 188.A OH no hydrogen 2.843 N/A ARG 288.A NE GLU 28.A OE1 no hydrogen 3.075 N/A ARG 288.A NH2 GLU 28.A OE2 no hydrogen 3.297 N/A ARG 288.A NH2 TYR 188.A OH no hydrogen 3.490 N/A TRP 289.A N THR 286.A O no hydrogen 3.120 N/A TRP 289.A NE1 MET 185.A O no hydrogen 2.913 N/A ILE 290.A N VAL 287.A O no hydrogen 3.070 N/A TYR 292.A OH HIS 336.A ND1 no hydrogen 2.810 N/A GLY 293.A N TRP 289.A O no hydrogen 2.950 N/A LYS 294.A N ILE 290.A O no hydrogen 2.999 N/A LYS 294.A NZ ASP 291.A OD1 no hydrogen 2.700 N/A LYS 294.A NZ GLN 318.A OE1 no hydrogen 2.786 N/A LYS 294.A NZ ASP 330.A OD2 no hydrogen 2.755 N/A VAL 295.A N TYR 292.A O no hydrogen 2.977 N/A ALA 296.A N GLY 293.A O no hydrogen 3.352 N/A LYS 297.A NZ GLU 213.A OE1 no hydrogen 3.031 N/A LYS 297.A NZ ASP 228.A O no hydrogen 3.053 N/A CYS 299.A SG HIS 233.A NE2 no hydrogen 3.666 N/A CYS 301.A SG HIS 233.A NE2 no hydrogen 3.289 N/A VAL 314.A N MET 310.A O no hydrogen 3.075 N/A ARG 315.A N.A ASP 311.A O no hydrogen 2.965 N/A ARG 315.A N.B ASP 311.A O no hydrogen 2.971 N/A LYS 316.A N ILE 312.A O no hydrogen 2.904 N/A PHE 317.A N PHE 313.A O no hydrogen 2.996 N/A GLN 318.A N VAL 314.A O no hydrogen 2.843 N/A GLN 318.A NE2 ASP 291.A OD1 no hydrogen 2.996 N/A ARG 321.A N GLN 318.A O no hydrogen 2.865 N/A ARG 321.A NE ASP 330.A OD1 no hydrogen 3.373 N/A ARG 321.A NH1 ASP 291.A OD2 no hydrogen 2.928 N/A ARG 321.A NH2 ASP 291.A OD2 no hydrogen 3.483 N/A ARG 321.A NH2 ASP 330.A OD1 no hydrogen 3.027 N/A TYR 322.A OH ASP 311.A OD1 no hydrogen 2.418 N/A TRP 325.A N ARG 321.A O no hydrogen 2.850 N/A LYS 326.A N TYR 322.A O no hydrogen 2.865 N/A LYS 326.A NZ TYR 322.A OH no hydrogen 3.184 N/A GLN 327.A N GLN 323.A O no hydrogen 2.887 N/A GLY 328.A N TRP 325.A O no hydrogen 2.803 N/A LYS 329.A N LEU 324.A O no hydrogen 2.922 N/A TYR 332.A OH ASP 291.A O no hydrogen 2.755 N/A HIS 336.A ND1 TYR 292.A OH no hydrogen 2.810 N/A THR 337.A N ASP 335.A OD1 no hydrogen 3.096 N/A THR 337.A OG1 ASP 335.A OD1 no hydrogen 2.826 N/A LYS 338.A N ASP 335.A O no hydrogen 3.426 N/A