Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2hhf_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N SER 110.A OG no hydrogen 2.847 N/A SER 4.A OG PHE 5.A O no hydrogen 3.048 N/A ALA 7.A N GLU 115.A OE1 no hydrogen 2.877 N/A ASP 9.A N LYS 6.A O no hydrogen 3.172 N/A LEU 10.A N ALA 7.A O no hydrogen 3.440 N/A GLU 13.A N ILE 53.A O no hydrogen 2.993 N/A THR 15.A N HIS 37.A NE2 no hydrogen 2.940 N/A GLN 16.A NE2 MET 14.A O no hydrogen 3.138 N/A HIS 19.A N ASP 36.A OD1 no hydrogen 2.771 N/A GLY 25.A N GLY 23.A O no hydrogen 2.796 N/A GLU 26.A N GLY 23.A O no hydrogen 3.286 N/A LYS 32.A N VAL 29.A O no hydrogen 3.483 N/A THR 35.A N LEU 166.A O no hydrogen 3.105 N/A THR 35.A OG1 HIS 37.A O no hydrogen 3.407 N/A THR 35.A OG1 ASP 127.A OD1 no hydrogen 2.871 N/A HIS 37.A N ASP 127.A OD1 no hydrogen 2.951 N/A HIS 37.A ND1 ASP 127.A OD2 no hydrogen 2.867 N/A MET 38.A N GLN 54.A O no hydrogen 3.057 N/A LEU 39.A N VAL 164.A O no hydrogen 3.069 N/A VAL 41.A N LEU 162.A O no hydrogen 2.649 N/A TRP 43.A N ALA 160.A O no hydrogen 2.867 N/A ASN 44.A N GLY 47.A O no hydrogen 3.076 N/A LYS 46.A N ASN 44.A OD1 no hydrogen 3.202 N/A GLY 47.A N ASN 44.A O no hydrogen 3.205 N/A TRP 48.A NE1 SER 110.A O no hydrogen 2.845 N/A GLY 49.A N GLU 42.A O no hydrogen 2.855 N/A GLN 50.A NE2 GLN 11.A OE1 no hydrogen 3.339 N/A ARG 52.A N.B MET 40.A O no hydrogen 2.674 N/A ARG 52.A NH1.B GLU 42.A OE2 no hydrogen 2.974 N/A GLN 54.A N MET 38.A O no hydrogen 3.166 N/A PHE 56.A N ASP 36.A O no hydrogen 2.810 N/A GLN 57.A NE2 PRO 55.A O no hydrogen 3.224 N/A ALA 64.A N HIS 62.A ND1 no hydrogen 3.107 N/A SER 65.A N HIS 62.A O no hydrogen 2.974 N/A SER 65.A OG SER 67.A OG no hydrogen 2.889 N/A SER 65.A OG GLY 147.A O no hydrogen 3.524 N/A SER 65.A OG ASN 148.A OD1 no hydrogen 2.771 N/A SER 66.A N GLU 149.A O no hydrogen 3.186 N/A SER 67.A OG SER 65.A OG no hydrogen 2.889 N/A LEU 68.A N SER 65.A O no hydrogen 2.937 N/A HIS 69.A NE2 PRO 63.A O no hydrogen 2.628 N/A TYR 70.A N SER 66.A O no hydrogen 3.109 N/A TYR 70.A OH LEU 152.A O no hydrogen 2.642 N/A LEU 72.A N SER 66.A O no hydrogen 3.458 N/A LEU 74.A N LEU 145.A O no hydrogen 3.026 N/A PHE 75.A N LYS 201.A O no hydrogen 3.124 N/A GLU 76.A N PRO 143.A O no hydrogen 2.989 N/A GLY 77.A N GLU 76.A OE2 no hydrogen 3.357 N/A MET 78.A N VAL 141.A O no hydrogen 3.221 N/A LYS 79.A NZ THR 312.A O.A no hydrogen 2.957 N/A LYS 79.A NZ ALA 313.A O no hydrogen 3.187 N/A ALA 80.A N LEU 139.A O no hydrogen 2.897 N/A PHE 81.A N ARG 89.A O no hydrogen 2.803 N/A LYS 82.A NZ LYS 128.A O no hydrogen 3.215 N/A LYS 82.A NZ VAL 131.A O no hydrogen 2.809 N/A GLY 83.A N GLN 87.A O no hydrogen 3.020 N/A GLN 86.A N GLY 83.A O no hydrogen 3.086 N/A ARG 89.A N PHE 81.A O no hydrogen 2.896 N/A LEU 90.A N PHE 362.A O no hydrogen 2.805 N/A ARG 92.A N TRP 360.A O no hydrogen 2.905 N/A ARG 92.A NH1 SER 272.A OG no hydrogen 3.048 N/A ARG 92.A NH1 ASP 275.A OD1 no hydrogen 3.124 N/A ARG 92.A NH2 ASP 275.A OD1 no hydrogen 3.460 N/A LEU 95.A N ARG 92.A O no hydrogen 3.038 N/A ASN 96.A ND2 ARG 92.A O no hydrogen 3.477 N/A MET 97.A N PRO 93.A O no hydrogen 2.915 N/A ASP 98.A N TRP 94.A O no hydrogen 2.771 N/A ARG 99.A N LEU 95.A O no hydrogen 2.824 N/A ARG 99.A NE GLU 76.A OE1 no hydrogen 2.882 N/A ARG 99.A NH1 PRO 266.A O no hydrogen 2.986 N/A ARG 99.A NH2 GLU 76.A OE2 no hydrogen 2.729 N/A MET 100.A N ASN 96.A O no hydrogen 2.792 N/A LEU 101.A N.B MET 97.A O no hydrogen 2.849 N/A SER 103.A N ARG 99.A O no hydrogen 3.348 N/A SER 103.A N MET 100.A O no hydrogen 2.582 N/A SER 103.A OG ARG 99.A O no hydrogen 3.094 N/A ALA 104.A N MET 100.A O no hydrogen 3.452 N/A MET 105.A N LEU 101.A O.A no hydrogen 2.708 N/A ARG 106.A N ARG 102.A O no hydrogen 3.123 N/A ARG 106.A NH1 ARG 106.A O no hydrogen 2.723 N/A ASP 112.A N SER 4.A OG no hydrogen 3.000 N/A LEU 114.A N ASP 112.A OD1 no hydrogen 3.101 N/A GLU 115.A N ASP 112.A O no hydrogen 3.126 N/A LEU 116.A N ASP 112.A O no hydrogen 3.186 N/A LEU 117.A N LYS 113.A O no hydrogen 3.079 N/A GLU 118.A N LEU 114.A O no hydrogen 3.138 N/A CYS 119.A N GLU 115.A O no hydrogen 3.148 N/A CYS 119.A SG GLU 115.A O no hydrogen 3.323 N/A ILE 120.A N LEU 116.A O no hydrogen 2.868 N/A ARG 121.A N LEU 117.A O no hydrogen 2.881 N/A ARG 121.A NE GLU 118.A OE2 no hydrogen 3.144 N/A ARG 121.A NH1 GLU 125.A OE1 no hydrogen 3.423 N/A ARG 121.A NH1 GLU 125.A OE2 no hydrogen 3.424 N/A ARG 121.A NH1 VAL 364.A OXT no hydrogen 2.777 N/A ARG 121.A NH2 GLU 118.A OE2 no hydrogen 3.053 N/A ARG 122.A N GLU 118.A O no hydrogen 3.009 N/A LEU 123.A N CYS 119.A O no hydrogen 3.074 N/A ILE 124.A N ILE 120.A O no hydrogen 2.991 N/A GLU 125.A N ARG 121.A O no hydrogen 3.023 N/A VAL 126.A N ARG 122.A O no hydrogen 2.942 N/A ASP 127.A N LEU 123.A O no hydrogen 3.181 N/A LYS 128.A N GLU 125.A O no hydrogen 3.289 N/A TRP 130.A N ASP 127.A O no hydrogen 3.035 N/A TRP 130.A NE1 ASP 36.A OD2 no hydrogen 2.973 N/A VAL 131.A N LYS 128.A O no hydrogen 3.092 N/A THR 137.A N ALA 134.A O no hydrogen 3.054 N/A THR 137.A OG1 ALA 134.A O no hydrogen 2.734 N/A SER 138.A N VAL 169.A O no hydrogen 3.207 N/A LEU 139.A N ALA 80.A O no hydrogen 2.940 N/A TYR 140.A N CYS 167.A O no hydrogen 2.784 N/A VAL 141.A N MET 78.A O no hydrogen 2.739 N/A ARG 142.A N ILE 165.A O no hydrogen 2.963 N/A ARG 142.A NE GLU 76.A O no hydrogen 2.944 N/A ARG 142.A NH2 TYR 140.A OH no hydrogen 2.721 N/A VAL 144.A N PHE 163.A O no hydrogen 2.749 N/A LEU 145.A N LEU 74.A O no hydrogen 3.061 N/A ILE 146.A N LEU 161.A O no hydrogen 2.877 N/A GLY 147.A N LEU 72.A O no hydrogen 2.770 N/A ASN 148.A N ARG 159.A O no hydrogen 2.765 N/A GLU 149.A N SER 66.A OG no hydrogen 3.407 N/A ARG 158.A N GLU 149.A OE1 no hydrogen 2.773 N/A ARG 159.A NH2 GLU 42.A OE1 no hydrogen 3.143 N/A ALA 160.A N TRP 43.A O no hydrogen 2.834 N/A LEU 161.A N ILE 146.A O no hydrogen 2.892 N/A LEU 162.A N VAL 41.A O no hydrogen 2.771 N/A PHE 163.A N VAL 144.A O no hydrogen 2.856 N/A VAL 164.A N LEU 39.A O no hydrogen 3.000 N/A ILE 165.A N ARG 142.A O no hydrogen 3.108 N/A CYS 167.A N TYR 140.A O no hydrogen 3.050 N/A CYS 167.A SG TYR 140.A O no hydrogen 4.025 N/A VAL 169.A N SER 138.A O no hydrogen 2.907 N/A SER 177.A OG PRO 174.A O no hydrogen 3.324 N/A VAL 181.A N PRO 318.A O no hydrogen 2.921 N/A LEU 183.A N ARG 321.A O no hydrogen 2.732 N/A LEU 184.A N GLN 223.A O no hydrogen 3.294 N/A ALA 185.A N LEU 323.A O no hydrogen 2.917 N/A ALA 188.A N ASP 186.A OD1 no hydrogen 3.110 N/A PHE 189.A N ASP 186.A O no hydrogen 3.514 N/A ARG 191.A NH2 GLY 198.A O no hydrogen 3.009 N/A ARG 191.A NH2 VAL 263.A O no hydrogen 2.910 N/A VAL 194.A N TYR 228.A OH no hydrogen 3.145 N/A GLY 196.A N TRP 193.A O no hydrogen 2.832 N/A TYR 200.A N VAL 197.A O no hydrogen 3.198 N/A GLY 203.A N GLN 73.A O no hydrogen 3.364 N/A ASN 205.A N LEU 202.A O no hydrogen 3.124 N/A TYR 206.A N GLY 203.A O no hydrogen 3.108 N/A THR 209.A N TYR 206.A O no hydrogen 3.087 N/A THR 209.A OG1 TYR 206.A O no hydrogen 2.650 N/A VAL 210.A N GLY 207.A O no hydrogen 3.266 N/A GLN 213.A N THR 209.A O no hydrogen 2.916 N/A GLN 214.A N VAL 210.A O no hydrogen 3.001 N/A GLU 215.A N LEU 211.A O no hydrogen 2.958 N/A ALA 216.A N VAL 212.A O no hydrogen 2.948 N/A ALA 216.A N GLN 213.A O no hydrogen 3.210 N/A LEU 217.A N GLN 213.A O no hydrogen 3.083 N/A LYS 218.A N GLN 214.A O no hydrogen 3.071 N/A ARG 219.A N GLU 215.A O no hydrogen 3.220 N/A GLY 220.A N LEU 217.A O no hydrogen 3.055 N/A CYS 221.A N ALA 216.A O no hydrogen 2.688 N/A GLU 222.A N.A SER 182.A OG no hydrogen 3.024 N/A LEU 225.A N LEU 184.A O no hydrogen 2.881 N/A TRP 226.A N GLU 236.A O no hydrogen 2.906 N/A TYR 228.A N GLN 233.A O no hydrogen 2.907 N/A HIS 232.A N GLY 229.A O no hydrogen 3.109 N/A HIS 232.A ND1 TYR 324.A OH no hydrogen 2.666 N/A GLN 233.A N TYR 228.A O no hydrogen 2.808 N/A LEU 234.A N ILE 290.A O no hydrogen 2.781 N/A THR 235.A N TRP 226.A O no hydrogen 2.945 N/A THR 235.A OG1 TRP 226.A O no hydrogen 2.729 N/A VAL 237.A N MET 240.A O no hydrogen 2.698 N/A GLY 238.A N VAL 224.A O no hydrogen 2.727 N/A MET 240.A N VAL 237.A O no hydrogen 2.798 N/A ASN 241.A N SER 310.A O no hydrogen 2.916 N/A ASN 241.A ND2 LEU 265.A O no hydrogen 3.430 N/A PHE 243.A N PHE 308.A O no hydrogen 2.827 N/A VAL 244.A N VAL 256.A O no hydrogen 2.911 N/A TYR 245.A N GLU 306.A O no hydrogen 2.708 N/A TRP 246.A N GLU 254.A O no hydrogen 3.090 N/A TRP 246.A NE1 GLU 254.A OE2 no hydrogen 2.903 N/A THR 247.A N ARG 303.A O no hydrogen 3.003 N/A HIS 248.A N VAL 252.A O no hydrogen 2.807 N/A GLY 251.A N HIS 248.A O no hydrogen 2.845 N/A VAL 252.A N ASP 250.A OD1 no hydrogen 3.251 N/A GLU 254.A N TRP 246.A O no hydrogen 2.816 N/A LEU 255.A N ARG 284.A O no hydrogen 2.938 N/A VAL 256.A N VAL 244.A O no hydrogen 2.906 N/A THR 257.A N VAL 286.A O no hydrogen 3.329 N/A THR 257.A OG1 ILE 242.A O no hydrogen 2.745 N/A ASN 261.A N PRO 259.A O no hydrogen 3.081 N/A VAL 263.A N ASN 261.A OD1 no hydrogen 3.471 N/A LEU 265.A N GLU 236.A OE1 no hydrogen 2.952 N/A ARG 270.A NH2 PRO 258.A O no hydrogen 2.976 N/A ARG 270.A NH2 GLU 287.A OE1 no hydrogen 2.687 N/A GLN 271.A N GLY 267.A O no hydrogen 3.088 N/A SER 272.A N VAL 268.A O no hydrogen 3.044 N/A SER 272.A OG VAL 268.A O no hydrogen 2.829 N/A LEU 273.A N VAL 269.A O no hydrogen 2.855 N/A LEU 274.A N ARG 270.A O no hydrogen 3.180 N/A ASP 275.A N GLN 271.A O no hydrogen 2.953 N/A MET 276.A N SER 272.A O no hydrogen 2.901 N/A ALA 277.A N LEU 273.A O no hydrogen 2.959 N/A GLN 278.A N LEU 274.A O no hydrogen 3.047 N/A THR 279.A N ASP 275.A O no hydrogen 3.084 N/A THR 279.A OG1 ASP 275.A O no hydrogen 2.721 N/A TRP 280.A N MET 276.A O no hydrogen 3.297 N/A GLY 281.A N ALA 277.A O no hydrogen 3.369 N/A ARG 284.A N LEU 253.A O no hydrogen 3.324 N/A ARG 284.A NH1 ASP 250.A OD1 no hydrogen 3.460 N/A ARG 284.A NH1 ASP 250.A OD2 no hydrogen 3.255 N/A ARG 284.A NH1 GLU 254.A OE1 no hydrogen 2.821 N/A ARG 284.A NH2 ASP 250.A OD2 no hydrogen 2.600 N/A VAL 286.A N LEU 255.A O no hydrogen 3.098 N/A ARG 288.A N THR 257.A O no hydrogen 3.037 N/A ARG 288.A NH1 GLU 254.A OE2 no hydrogen 2.867 N/A ARG 288.A NH2 GLU 254.A OE1 no hydrogen 2.830 N/A ARG 288.A NH2 GLU 254.A OE2 no hydrogen 3.559 N/A MET 292.A N HIS 232.A O no hydrogen 3.137 N/A GLN 294.A N THR 291.A OG1 no hydrogen 3.263 N/A GLN 294.A NE2 THR 289.A O no hydrogen 3.522 N/A LEU 295.A N THR 291.A O no hydrogen 3.015 N/A LEU 296.A N MET 292.A O no hydrogen 2.809 N/A ARG 297.A N LYS 293.A O no hydrogen 3.137 N/A ARG 297.A NE GLU 301.A OE2 no hydrogen 3.125 N/A ALA 298.A N GLN 294.A O no hydrogen 2.986 N/A LEU 299.A N LEU 295.A O no hydrogen 2.917 N/A GLU 300.A N LEU 296.A O no hydrogen 3.232 N/A GLU 301.A N ARG 297.A O no hydrogen 3.193 N/A GLY 302.A N LEU 299.A O no hydrogen 3.187 N/A ARG 303.A N ALA 298.A O no hydrogen 2.821 N/A ARG 303.A NE GLU 301.A OE1 no hydrogen 2.788 N/A ARG 303.A NH1 THR 247.A O no hydrogen 2.754 N/A ARG 303.A NH2 GLU 301.A OE1 no hydrogen 2.981 N/A ARG 305.A N TYR 245.A O no hydrogen 2.935 N/A GLU 306.A N TYR 245.A O no hydrogen 3.055 N/A VAL 307.A N THR 333.A OG1 no hydrogen 2.903 N/A PHE 308.A N PHE 243.A O no hydrogen 2.969 N/A GLY 309.A N CYS 317.A O no hydrogen 2.790 N/A SER 310.A N ASN 241.A O no hydrogen 2.816 N/A GLY 311.A N GLN 315.A O no hydrogen 3.337 N/A THR 312.A OG1.B THR 239.A O no hydrogen 3.018 N/A CYS 314.A N GLY 311.A O no hydrogen 3.007 N/A CYS 314.A SG VAL 316.A O no hydrogen 3.262 N/A GLN 315.A N GLY 311.A O no hydrogen 3.169 N/A GLN 315.A NE2 THR 312.A O.A no hydrogen 3.392 N/A VAL 316.A N CYS 314.A O no hydrogen 2.814 N/A CYS 317.A N GLY 309.A O no hydrogen 2.838 N/A VAL 319.A N VAL 307.A O no hydrogen 2.925 N/A HIS 320.A N VAL 181.A O no hydrogen 2.973 N/A ARG 321.A NH1 ASN 328.A OD1 no hydrogen 2.622 N/A ARG 321.A NH2 GLY 220.A O no hydrogen 2.966 N/A ILE 322.A N LEU 329.A O no hydrogen 2.985 N/A LEU 323.A N LEU 183.A O no hydrogen 2.717 N/A TYR 324.A N ARG 327.A O no hydrogen 3.007 N/A TYR 324.A OH HIS 232.A ND1 no hydrogen 2.666 N/A ARG 327.A N TYR 324.A O no hydrogen 3.021 N/A LEU 329.A N ILE 322.A O no hydrogen 2.910 N/A ILE 331.A N HIS 320.A O no hydrogen 2.858 N/A THR 333.A OG1 VAL 307.A O no hydrogen 3.471 N/A THR 333.A OG1 VAL 319.A O no hydrogen 2.972 N/A ASN 336.A ND2 ARG 305.A O no hydrogen 2.981 N/A ASN 336.A ND2 PRO 332.A O no hydrogen 3.063 N/A GLY 337.A N MET 334.A O no hydrogen 3.255 N/A GLU 339.A N ASN 336.A O no hydrogen 3.065 N/A LEU 340.A N GLU 306.A OE1 no hydrogen 2.969 N/A ILE 341.A N GLU 306.A OE2 no hydrogen 2.959 N/A LEU 342.A N PRO 338.A O no hydrogen 2.949 N/A ARG 343.A N GLU 339.A O no hydrogen 3.042 N/A ARG 343.A NH1 GLU 282.A OE1 no hydrogen 2.730 N/A ARG 343.A NH1 GLU 282.A OE2 no hydrogen 3.407 N/A ARG 343.A NH2 GLU 282.A OE2 no hydrogen 2.892 N/A PHE 344.A N LEU 340.A O no hydrogen 2.860 N/A GLN 345.A N ILE 341.A O no hydrogen 2.817 N/A GLN 345.A NE2 GLY 176.A O no hydrogen 3.589 N/A LYS 346.A N LEU 342.A O no hydrogen 2.991 N/A LYS 346.A NZ GLU 350.A OE1 no hydrogen 3.351 N/A LYS 346.A NZ GLU 350.A OE2 no hydrogen 3.042 N/A GLU 347.A N ARG 343.A O no hydrogen 3.134 N/A LEU 348.A N PHE 344.A O no hydrogen 2.926 N/A LYS 349.A N GLN 345.A O no hydrogen 2.886 N/A GLU 350.A N LYS 346.A O no hydrogen 2.920 N/A ILE 351.A N GLU 347.A O no hydrogen 2.983 N/A GLN 352.A N LEU 348.A O no hydrogen 2.792 N/A GLN 352.A NE2 GLN 315.A OE1 no hydrogen 2.875 N/A TYR 353.A N LYS 349.A O no hydrogen 3.110 N/A TYR 353.A OH THR 137.A O no hydrogen 2.671 N/A GLY 354.A N ILE 351.A O no hydrogen 3.158 N/A ARG 356.A N GLU 350.A O no hydrogen 2.857 N/A TRP 360.A N HIS 358.A ND1 no hydrogen 3.277 N/A MET 361.A N HIS 358.A O no hydrogen 3.122 N/A PHE 362.A N LEU 90.A O no hydrogen 2.904 N/A VAL 364.A N VAL 88.A O no hydrogen 2.977 N/A