Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fls_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE PRO 85.A O no hydrogen 3.364 N/A ARG 2.A NH2 PRO 85.A O no hydrogen 3.001 N/A TYR 6.A N VAL 17.A O no hydrogen 3.092 N/A TYR 6.A OH TYR 21.A O no hydrogen 2.588 N/A LEU 10.A N THR 13.A O no hydrogen 3.205 N/A THR 13.A OG1 ASN 11.A O no hydrogen 3.437 N/A TRP 15.A N GLN 8.A O no hydrogen 2.658 N/A GLU 16.A N TYR 96.A OH no hydrogen 3.037 N/A VAL 17.A N TYR 6.A O no hydrogen 3.272 N/A GLU 19.A N THR 4.A O no hydrogen 2.908 N/A ARG 20.A NE ASP 36.A OD1 no hydrogen 2.985 N/A ARG 20.A NH2 ASP 36.A OD1 no hydrogen 3.267 N/A ARG 20.A NH2 ASP 36.A OD2 no hydrogen 2.642 N/A TYR 21.A N PRO 18.A O no hydrogen 3.289 N/A TYR 21.A OH ASP 81.A OD1 no hydrogen 2.774 N/A GLN 22.A N PHE 35.A O no hydrogen 2.964 N/A GLN 22.A NE2 GLU 19.A O no hydrogen 2.733 N/A SER 25.A N ALA 33.A O no hydrogen 2.821 N/A VAL 27.A N VAL 31.A O no hydrogen 3.028 N/A VAL 31.A N GLY 28.A O no hydrogen 2.985 N/A CYS 32.A N VAL 45.A O no hydrogen 2.961 N/A ALA 33.A N SER 25.A O no hydrogen 2.704 N/A ALA 34.A N VAL 43.A O no hydrogen 3.019 N/A PHE 35.A N GLN 22.A O no hydrogen 2.730 N/A ASP 36.A N LEU 41.A O no hydrogen 2.860 N/A THR 37.A N ARG 20.A O no hydrogen 3.087 N/A THR 37.A OG1 ARG 20.A O no hydrogen 2.709 N/A LYS 38.A N ASP 36.A OD1 no hydrogen 3.027 N/A THR 39.A N ASP 36.A O no hydrogen 3.025 N/A THR 39.A OG1 ASP 36.A OD2 no hydrogen 2.601 N/A GLY 40.A N ASP 36.A O no hydrogen 2.574 N/A VAL 43.A N ALA 34.A O no hydrogen 2.897 N/A ALA 44.A N THR 99.A O no hydrogen 2.815 N/A VAL 45.A N CYS 32.A O no hydrogen 2.926 N/A LYS 46.A N LEU 97.A O no hydrogen 2.766 N/A LYS 46.A NZ GLU 64.A OE1 no hydrogen 3.529 N/A LYS 46.A NZ GLU 64.A OE2 no hydrogen 2.480 N/A LYS 47.A N SER 30.A O no hydrogen 3.072 N/A LYS 47.A NZ ILE 14.A O no hydrogen 3.478 N/A LEU 48.A N VAL 95.A O no hydrogen 3.225 N/A SER 54.A OG HIS 57.A ND1 no hydrogen 2.915 N/A HIS 57.A N SER 54.A OG no hydrogen 3.429 N/A ALA 58.A N SER 54.A O no hydrogen 2.938 N/A LYS 59.A N ILE 55.A O no hydrogen 2.908 N/A LYS 59.A NZ GLU 319.A O no hydrogen 2.921 N/A LYS 59.A NZ ARG 321.A O no hydrogen 3.557 N/A ARG 60.A N ILE 56.A O no hydrogen 2.880 N/A THR 61.A N HIS 57.A O no hydrogen 2.851 N/A THR 61.A OG1 PRO 51.A O no hydrogen 3.016 N/A THR 61.A OG1 HIS 57.A O no hydrogen 2.902 N/A TYR 62.A N ALA 58.A O no hydrogen 3.107 N/A ARG 63.A N LYS 59.A O no hydrogen 2.728 N/A ARG 63.A NE GLU 319.A OE1 no hydrogen 3.225 N/A ARG 63.A NE GLU 319.A OE2 no hydrogen 2.764 N/A ARG 63.A NH1 GLU 319.A OE1 no hydrogen 2.703 N/A GLU 64.A N ARG 60.A O no hydrogen 2.851 N/A LEU 65.A N THR 61.A O no hydrogen 3.049 N/A ARG 66.A N TYR 62.A O no hydrogen 2.843 N/A ARG 66.A NH1 TYR 62.A OH no hydrogen 2.967 N/A ARG 66.A NH2 ASP 315.A O no hydrogen 2.658 N/A LEU 67.A N ARG 63.A O no hydrogen 2.857 N/A LEU 68.A N GLU 64.A O no hydrogen 3.014 N/A LYS 69.A N LEU 65.A O no hydrogen 3.100 N/A LYS 69.A NZ GLU 335.A O no hydrogen 2.722 N/A LYS 69.A NZ GLU 335.A OE1 no hydrogen 2.596 N/A HIS 70.A N ARG 66.A O no hydrogen 3.329 N/A HIS 70.A NE2 ASP 312.A O no hydrogen 2.749 N/A MET 71.A N LEU 67.A O no hydrogen 3.283 N/A LYS 72.A N TYR 133.A OH no hydrogen 2.902 N/A LYS 72.A NZ LYS 69.A O no hydrogen 3.313 N/A ASN 75.A N HIS 73.A ND1 no hydrogen 3.096 N/A ASN 75.A ND2 GLN 126.A OE1 no hydrogen 3.533 N/A ASN 75.A ND2 LEU 157.A O no hydrogen 2.960 N/A VAL 76.A N HIS 73.A O no hydrogen 3.072 N/A ILE 77.A N ILE 159.A O no hydrogen 3.065 N/A LEU 80.A N VAL 98.A O no hydrogen 2.682 N/A ASP 81.A N VAL 98.A O no hydrogen 3.354 N/A PHE 83.A N TYR 96.A O no hydrogen 3.048 N/A THR 84.A OG1 ASP 94.A O no hydrogen 2.708 N/A GLU 91.A N SER 88.A O no hydrogen 3.330 N/A GLU 91.A N SER 88.A OG no hydrogen 3.330 N/A PHE 92.A N LEU 89.A O no hydrogen 3.255 N/A TYR 96.A N PHE 83.A O no hydrogen 3.073 N/A LEU 97.A N LYS 46.A O no hydrogen 2.884 N/A VAL 98.A N ASP 81.A O no hydrogen 2.765 N/A THR 99.A N ALA 44.A O no hydrogen 2.893 N/A THR 99.A OG1 GLY 78.A O no hydrogen 2.600 N/A LEU 101.A N ARG 42.A O no hydrogen 3.217 N/A ALA 104.A N VAL 151.A O no hydrogen 3.153 N/A LEU 106.A N PRO 146.A O no hydrogen 3.028 N/A LEU 106.A N LEU 149.A O no hydrogen 2.814 N/A ASN 108.A N ASP 105.A O no hydrogen 3.105 N/A ASN 108.A N ASP 105.A OD2 no hydrogen 3.106 N/A ILE 109.A N LEU 106.A O no hydrogen 3.260 N/A VAL 110.A N LEU 106.A O no hydrogen 3.117 N/A LYS 111.A N ASN 107.A O no hydrogen 3.213 N/A GLN 113.A N LYS 111.A O no hydrogen 2.592 N/A GLN 113.A NE2 VAL 110.A O no hydrogen 2.710 N/A THR 116.A OG1 HIS 119.A ND1 no hydrogen 2.724 N/A HIS 119.A N THR 116.A OG1 no hydrogen 3.410 N/A VAL 120.A N THR 116.A O no hydrogen 3.052 N/A GLN 121.A N ASP 117.A O no hydrogen 2.956 N/A PHE 122.A N ASP 118.A O no hydrogen 3.123 N/A LEU 123.A N HIS 119.A O no hydrogen 3.088 N/A ILE 124.A N VAL 120.A O no hydrogen 2.932 N/A TYR 125.A N GLN 121.A O no hydrogen 2.828 N/A TYR 125.A OH GLU 308.A OE2 no hydrogen 2.799 N/A GLN 126.A N PHE 122.A O no hydrogen 3.081 N/A GLN 126.A NE2 PHE 122.A O no hydrogen 3.215 N/A GLN 126.A NE2 CYS 155.A O no hydrogen 2.913 N/A ILE 127.A N LEU 123.A O no hydrogen 3.144 N/A LEU 128.A N ILE 124.A O no hydrogen 2.991 N/A ARG 129.A N TYR 125.A O no hydrogen 2.930 N/A ARG 129.A NE ASP 307.A O no hydrogen 2.760 N/A ARG 129.A NH1 ASP 307.A O no hydrogen 2.882 N/A ARG 129.A NH2 GLU 74.A OE2 no hydrogen 3.130 N/A ARG 129.A NH2 ASN 75.A OD1 no hydrogen 3.170 N/A GLY 130.A N GLN 126.A O no hydrogen 2.932 N/A LEU 131.A N ILE 127.A O no hydrogen 2.703 N/A LYS 132.A N LEU 128.A O no hydrogen 2.953 N/A LYS 132.A NZ GLU 308.A O no hydrogen 2.610 N/A TYR 133.A N ARG 129.A O no hydrogen 3.405 N/A TYR 133.A OH HIS 70.A O no hydrogen 3.372 N/A ILE 134.A N GLY 130.A O no hydrogen 3.064 N/A HIS 135.A N LEU 131.A O no hydrogen 2.769 N/A HIS 135.A NE2 ASP 196.A OD2 no hydrogen 2.892 N/A SER 136.A N LYS 132.A O no hydrogen 2.934 N/A SER 136.A OG LYS 132.A O no hydrogen 3.344 N/A SER 136.A OG TYR 133.A O no hydrogen 2.502 N/A ALA 137.A N ILE 134.A O no hydrogen 3.206 N/A ASP 138.A N HIS 135.A O no hydrogen 2.832 N/A ILE 139.A N ILE 134.A O no hydrogen 3.273 N/A HIS 141.A N ASP 196.A OD2 no hydrogen 2.772 N/A HIS 141.A NE2 LEU 160.A O no hydrogen 2.725 N/A ARG 142.A N ASP 196.A OD1 no hydrogen 2.943 N/A ARG 142.A NE ILE 140.A O no hydrogen 3.320 N/A ARG 142.A NH1 TYR 191.A OH no hydrogen 2.388 N/A ASP 143.A N HIS 141.A ND1 no hydrogen 3.078 N/A LYS 145.A NZ ASP 143.A OD2 no hydrogen 3.250 N/A ASN 148.A N LYS 145.A O no hydrogen 2.901 N/A ASN 148.A ND2 ASP 143.A O no hydrogen 2.608 N/A LEU 149.A N PRO 146.A O no hydrogen 3.217 N/A ALA 150.A N LYS 158.A O no hydrogen 2.983 N/A VAL 151.A N ALA 104.A O no hydrogen 2.722 N/A ASN 152.A N GLU 156.A O no hydrogen 2.973 N/A ASN 152.A ND2 GLU 156.A OE1 no hydrogen 3.120 N/A ASP 154.A N ASN 152.A OD1 no hydrogen 2.768 N/A GLU 156.A N ASN 152.A OD1 no hydrogen 3.022 N/A LEU 157.A N GLN 126.A OE1 no hydrogen 2.725 N/A LYS 158.A N ALA 150.A O no hydrogen 2.744 N/A LYS 158.A NZ GLU 74.A O no hydrogen 2.915 N/A ILE 159.A N ASN 75.A O no hydrogen 2.958 N/A LEU 160.A N ASN 148.A O no hydrogen 2.959 N/A GLY 163.A N HIS 141.A O no hydrogen 3.299 N/A THR 166.A N GLU 169.A OE1 no hydrogen 3.187 N/A THR 171.A N ASP 168.A O no hydrogen 3.023 N/A THR 171.A OG1 ASP 167.A O no hydrogen 2.708 N/A THR 171.A OG1 ASP 168.A O no hydrogen 3.323 N/A THR 176.A OG1 GLU 169.A O no hydrogen 2.609 N/A ARG 177.A N VAL 174.A O no hydrogen 3.212 N/A ARG 177.A NE GLN 222.A OE1 no hydrogen 2.969 N/A ARG 177.A NH1 MET 170.A O no hydrogen 2.867 N/A ARG 177.A NH1 GLY 172.A O no hydrogen 2.856 N/A ARG 177.A NH2 GLY 172.A O no hydrogen 3.190 N/A ARG 177.A NH2 GLY 216.A O no hydrogen 3.054 N/A ARG 177.A NH2 GLN 222.A OE1 no hydrogen 3.110 N/A TRP 178.A NE1 GLY 216.A O no hydrogen 3.115 N/A TYR 179.A OH GLU 206.A OE1 no hydrogen 2.495 N/A ARG 180.A N ARG 177.A O no hydrogen 3.235 N/A ARG 180.A NH1 ASP 143.A OD1 no hydrogen 3.499 N/A GLU 183.A N GLU 183.A OE2 no hydrogen 2.983 N/A ILE 184.A N ALA 181.A O no hydrogen 3.127 N/A MET 185.A N ALA 181.A O no hydrogen 2.932 N/A LEU 186.A N PRO 182.A O no hydrogen 2.922 N/A TRP 188.A N GLU 183.A O no hydrogen 2.715 N/A ASN 192.A ND2 SER 284.A OG no hydrogen 3.111 N/A GLN 193.A NE2 HIS 135.A O no hydrogen 2.750 N/A THR 194.A N ASN 192.A OD1 no hydrogen 3.364 N/A THR 194.A OG1 ASN 192.A OD1 no hydrogen 2.541 N/A THR 194.A OG1 SER 284.A O no hydrogen 2.850 N/A VAL 195.A N ASN 192.A O no hydrogen 3.477 N/A ASP 196.A N GLN 193.A O no hydrogen 3.228 N/A TRP 198.A N THR 194.A O no hydrogen 3.146 N/A SER 199.A N VAL 195.A O no hydrogen 3.347 N/A SER 199.A OG TYR 179.A O no hydrogen 2.687 N/A SER 199.A OG VAL 195.A O no hydrogen 3.464 N/A VAL 200.A N ASP 196.A O no hydrogen 3.047 N/A GLY 201.A N ILE 197.A O no hydrogen 3.077 N/A CYS 202.A N TRP 198.A O no hydrogen 3.114 N/A CYS 202.A SG TRP 178.A O no hydrogen 3.918 N/A CYS 202.A SG TRP 198.A O no hydrogen 3.404 N/A ILE 203.A N SER 199.A O no hydrogen 2.880 N/A MET 204.A N VAL 200.A O no hydrogen 2.669 N/A ALA 205.A N GLY 201.A O no hydrogen 3.038 N/A GLU 206.A N CYS 202.A O no hydrogen 3.120 N/A LEU 207.A N ILE 203.A O no hydrogen 2.903 N/A LEU 208.A N MET 204.A O no hydrogen 3.034 N/A LEU 208.A N ALA 205.A O no hydrogen 3.104 N/A THR 209.A N ALA 205.A O no hydrogen 3.021 N/A THR 209.A OG1 ALA 205.A O no hydrogen 3.046 N/A GLY 210.A N GLU 206.A O no hydrogen 2.668 N/A ARG 211.A N THR 209.A OG1 no hydrogen 3.182 N/A GLY 216.A N PHE 214.A O no hydrogen 2.856 N/A THR 217.A N ASP 221.A OD1 no hydrogen 2.962 N/A THR 217.A OG1 ASP 218.A OD2 no hydrogen 3.000 N/A HIS 219.A NE2 MET 170.A O no hydrogen 2.931 N/A ASP 221.A N ASP 218.A OD1 no hydrogen 3.010 N/A GLN 222.A N ASP 218.A O no hydrogen 2.828 N/A GLN 222.A NE2 ARG 177.A O no hydrogen 2.807 N/A LEU 223.A N HIS 219.A O no hydrogen 3.069 N/A LYS 224.A N ILE 220.A O no hydrogen 3.087 N/A LEU 225.A N ASP 221.A O no hydrogen 3.076 N/A ILE 226.A N GLN 222.A O no hydrogen 3.009 N/A LEU 227.A N LEU 223.A O no hydrogen 2.928 N/A ARG 228.A N LYS 224.A O no hydrogen 3.034 N/A LEU 229.A N LEU 225.A O no hydrogen 3.349 N/A VAL 230.A N ILE 226.A O no hydrogen 2.960 N/A GLY 231.A N LEU 227.A O no hydrogen 2.808 N/A THR 232.A N MET 256.A O no hydrogen 2.776 N/A THR 232.A OG1 MET 256.A O no hydrogen 3.061 N/A LEU 238.A N GLY 234.A O no hydrogen 3.349 N/A LYS 239.A N ALA 235.A O no hydrogen 3.314 N/A LYS 240.A N LEU 237.A O no hydrogen 2.974 N/A LYS 240.A NZ ASP 283.A OD1 no hydrogen 2.634 N/A LYS 240.A NZ ASP 283.A OD2 no hydrogen 3.233 N/A LYS 240.A NZ ASP 285.A OD1 no hydrogen 2.750 N/A ILE 241.A N LEU 237.A O no hydrogen 3.340 N/A SER 242.A N TRP 188.A O no hydrogen 2.892 N/A SER 242.A OG TRP 188.A O no hydrogen 2.937 N/A SER 243.A N TRP 188.A O no hydrogen 3.521 N/A ARG 247.A N SER 243.A O no hydrogen 3.088 N/A ARG 247.A NH2 GLU 244.A OE2 no hydrogen 3.046 N/A ASN 248.A N GLU 244.A O no hydrogen 2.844 N/A TYR 249.A N SER 245.A O no hydrogen 2.949 N/A ILE 250.A N ALA 246.A O no hydrogen 3.037 N/A GLN 251.A N ARG 247.A O no hydrogen 3.097 N/A SER 252.A N TYR 249.A O no hydrogen 2.969 N/A SER 252.A OG TYR 249.A O no hydrogen 2.422 N/A LEU 253.A N ILE 250.A O no hydrogen 2.787 N/A MET 256.A N THR 232.A OG1 no hydrogen 2.719 N/A LYS 258.A NZ MET 259.A O no hydrogen 2.801 N/A LYS 258.A NZ GLU 277.A OE2 no hydrogen 3.342 N/A MET 259.A N LEU 229.A O no hydrogen 2.805 N/A ASN 263.A N ASN 260.A O no hydrogen 3.063 N/A VAL 264.A N ASN 260.A O no hydrogen 3.212 N/A VAL 264.A N PHE 261.A O no hydrogen 3.038 N/A PHE 265.A N PHE 261.A O no hydrogen 2.871 N/A ALA 268.A N PHE 265.A O no hydrogen 3.262 N/A ASN 269.A ND2 ASP 117.A OD2 no hydrogen 2.975 N/A LEU 271.A N ASN 269.A OD1 no hydrogen 2.980 N/A VAL 273.A N ASN 269.A O no hydrogen 3.137 N/A ASP 274.A N PRO 270.A O no hydrogen 3.104 N/A LEU 275.A N LEU 271.A O no hydrogen 2.913 N/A LEU 276.A N ALA 272.A O no hydrogen 2.810 N/A GLU 277.A N VAL 273.A O no hydrogen 2.909 N/A LYS 278.A N ASP 274.A O no hydrogen 3.217 N/A LYS 278.A N LEU 275.A O no hydrogen 3.065 N/A MET 279.A N LEU 275.A O no hydrogen 3.047 N/A MET 279.A N LEU 276.A O no hydrogen 3.287 N/A LEU 280.A N LEU 276.A O no hydrogen 2.902 N/A ASP 285.A N ASP 283.A OD2 no hydrogen 3.457 N/A LYS 286.A N ASP 283.A O no hydrogen 2.983 N/A LYS 286.A NZ GLU 236.A OE1 no hydrogen 2.872 N/A ARG 287.A NE VAL 281.A O no hydrogen 2.699 N/A ARG 287.A NH1 GLU 183.A OE1 no hydrogen 3.092 N/A ARG 287.A NH1 GLU 183.A OE2 no hydrogen 2.693 N/A ARG 287.A NH1 VAL 281.A O no hydrogen 3.382 N/A ARG 287.A NH1 LEU 282.A O no hydrogen 2.930 N/A ARG 287.A NH2 GLU 183.A OE1 no hydrogen 2.635 N/A ARG 287.A NH2 THR 194.A O no hydrogen 3.023 N/A ILE 288.A N LYS 278.A O no hydrogen 3.109 N/A THR 289.A N GLN 292.A OE1 no hydrogen 3.364 N/A GLN 292.A N THR 289.A OG1 no hydrogen 3.285 N/A ALA 293.A N THR 289.A O no hydrogen 2.766 N/A LEU 294.A N ALA 290.A O no hydrogen 2.966 N/A ALA 295.A N GLN 292.A O no hydrogen 3.191 N/A HIS 296.A N ALA 293.A O no hydrogen 3.153 N/A HIS 296.A NE2 ASP 274.A OD2 no hydrogen 2.898 N/A TYR 298.A N HIS 296.A ND1 no hydrogen 2.987 N/A TYR 298.A OH ASP 117.A OD1 no hydrogen 2.750 N/A PHE 299.A N HIS 296.A O no hydrogen 3.271 N/A ALA 300.A N ALA 297.A O no hydrogen 3.081 N/A GLN 301.A NE2 ASP 118.A OD1 no hydrogen 3.375 N/A TYR 302.A N PHE 299.A O no hydrogen 2.932 N/A TYR 302.A OH ASP 118.A OD1 no hydrogen 3.293 N/A HIS 303.A N PHE 299.A O no hydrogen 2.834 N/A ASP 304.A N GLU 308.A OE2 no hydrogen 3.211 N/A ASP 307.A N ASP 304.A O no hydrogen 2.960 N/A ALA 311.A N SER 136.A OG no hydrogen 2.660 N/A GLN 316.A NE2 ASP 138.A O no hydrogen 2.979 N/A SER 317.A N ASP 315.A OD1 no hydrogen 2.845 N/A SER 317.A OG ASP 315.A OD1 no hydrogen 2.821 N/A GLU 319.A N GLN 316.A O no hydrogen 3.104 N/A SER 320.A OG SER 317.A O no hydrogen 3.544 N/A ARG 321.A N PHE 318.A O no hydrogen 2.959 N/A LEU 324.A N GLU 327.A OE1 no hydrogen 3.000 N/A TRP 328.A N LEU 324.A O no hydrogen 2.979 N/A LYS 329.A N ILE 325.A O no hydrogen 2.799 N/A LYS 329.A NZ LEU 89.A O no hydrogen 2.839 N/A SER 330.A N ASP 326.A O no hydrogen 2.963 N/A LEU 331.A N GLU 327.A O no hydrogen 3.066 N/A THR 332.A N TRP 328.A O no hydrogen 3.002 N/A THR 332.A OG1 TRP 328.A O no hydrogen 2.963 N/A TYR 333.A N LYS 329.A O no hydrogen 2.897 N/A ASP 334.A N SER 330.A O no hydrogen 3.123 N/A GLU 335.A N LEU 331.A O no hydrogen 3.233 N/A VAL 336.A N THR 332.A O no hydrogen 2.955 N/A ILE 337.A N TYR 333.A O no hydrogen 2.975 N/A SER 338.A N ASP 334.A O no hydrogen 3.077 N/A SER 338.A OG ASP 334.A O no hydrogen 2.797 N/A SER 338.A OG GLU 335.A O no hydrogen 3.369 N/A PHE 339.A N VAL 336.A O no hydrogen 3.351 N/A