Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hbg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N ASP 2.A OD2 no hydrogen 2.935 N/A ALA 5.A N ASP 2.A O no hydrogen 3.197 N/A ASP 7.A N PHE 4.A O no hydrogen 3.080 N/A ARG 10.A NE ASP 189.A OD2 no hydrogen 2.691 N/A ARG 10.A NH2 ASP 7.A OD2 no hydrogen 2.979 N/A ARG 10.A NH2 ASP 189.A OD1 no hydrogen 2.822 N/A ARG 15.A N GLU 25.A O no hydrogen 2.771 N/A ARG 15.A NH1 PRO 110.A O no hydrogen 3.481 N/A ARG 15.A NH2 PRO 110.A O no hydrogen 3.510 N/A ASN 17.A N ASN 23.A O no hydrogen 2.773 N/A ASN 17.A ND2 GLU 25.A OE2 no hydrogen 3.258 N/A SER 18.A N ASN 23.A O no hydrogen 3.066 N/A SER 18.A OG PRO 21.A O no hydrogen 2.689 N/A LYS 20.A NZ ASP 2.A OD1 no hydrogen 2.966 N/A ASN 23.A N SER 18.A O no hydrogen 2.857 N/A ASN 23.A ND2 PRO 21.A O no hydrogen 3.115 N/A ASN 23.A ND2 ASN 46.A O no hydrogen 3.004 N/A ALA 24.A N THR 44.A O no hydrogen 2.972 N/A GLU 25.A N ARG 15.A O no hydrogen 2.927 N/A LEU 30.A N PRO 27.A O no hydrogen 3.078 N/A LEU 31.A N ALA 28.A O no hydrogen 3.265 N/A GLU 33.A N LEU 30.A O no hydrogen 3.205 N/A THR 37.A N THR 118.A O no hydrogen 2.761 N/A THR 37.A OG1 THR 118.A O no hydrogen 3.472 N/A ASN 39.A ND2 MET 181.A O no hydrogen 3.028 N/A GLU 40.A N GLU 40.A OE1 no hydrogen 2.812 N/A LEU 41.A N PRO 38.A O no hydrogen 2.836 N/A PHE 42.A N PRO 38.A O no hydrogen 2.977 N/A PHE 43.A N SER 117.A OG no hydrogen 3.008 N/A THR 44.A N ALA 24.A O no hydrogen 2.855 N/A THR 44.A OG1 PHE 42.A O no hydrogen 3.417 N/A ARG 45.A NH1 ASN 23.A OD1 no hydrogen 2.809 N/A ASN 46.A N PHE 22.A O no hydrogen 3.108 N/A ASN 46.A ND2 ASP 189.A OD1 no hydrogen 3.200 N/A VAL 50.A N ASP 7.A OD1 no hydrogen 2.930 N/A SER 56.A N GLU 54.A OE1 no hydrogen 3.174 N/A SER 56.A OG GLU 54.A OE1 no hydrogen 2.964 N/A SER 56.A OG GLU 54.A OE2 no hydrogen 2.757 N/A SER 57.A N GLU 54.A OE2 no hydrogen 3.045 N/A SER 57.A OG GLU 54.A O no hydrogen 3.488 N/A SER 57.A OG GLU 54.A OE2 no hydrogen 3.081 N/A TYR 58.A N GLU 54.A O no hydrogen 3.291 N/A TYR 58.A OH LEU 210.A O no hydrogen 2.609 N/A ARG 59.A NH1 SER 56.A O no hydrogen 3.011 N/A ARG 59.A NH1 TYR 58.A O no hydrogen 2.926 N/A LEU 60.A N LEU 72.A O no hydrogen 2.771 N/A ARG 61.A N ARG 211.A O no hydrogen 2.997 N/A ARG 61.A NE ASP 63.A OD2 no hydrogen 2.657 N/A ARG 61.A NH2 ASP 63.A OD2 no hydrogen 3.308 N/A VAL 62.A N LEU 70.A O no hydrogen 2.985 N/A ASP 63.A N VAL 213.A O no hydrogen 2.957 N/A GLY 67.A N GLY 64.A O no hydrogen 3.014 N/A LEU 70.A N VAL 62.A O no hydrogen 2.844 N/A LEU 72.A N LEU 60.A O no hydrogen 2.877 N/A GLU 76.A N SER 73.A OG no hydrogen 3.048 N/A LEU 77.A N SER 73.A O no hydrogen 2.927 N/A ARG 78.A N LEU 74.A O no hydrogen 3.010 N/A SER 79.A N ALA 75.A O no hydrogen 3.030 N/A SER 79.A N GLU 76.A O no hydrogen 3.336 N/A SER 79.A OG ALA 75.A O no hydrogen 3.071 N/A ARG 80.A N GLU 76.A O no hydrogen 2.897 N/A LYS 83.A NZ GLU 180.A OE2 no hydrogen 2.737 N/A HIS 84.A N GLY 123.A O no hydrogen 2.804 N/A VAL 86.A N TRP 121.A O no hydrogen 2.836 N/A ALA 88.A N ALA 119.A O no hydrogen 3.016 N/A THR 89.A N TRP 295.A O no hydrogen 3.026 N/A THR 89.A OG1 THR 118.A OG1 no hydrogen 2.554 N/A LEU 90.A N SER 117.A O no hydrogen 2.913 N/A SER 92.A N ALA 115.A O no hydrogen 3.045 N/A GLY 94.A N SER 92.A OG no hydrogen 2.963 N/A ASN 95.A N SER 92.A O no hydrogen 3.063 N/A ASN 95.A ND2 GLN 91.A OE1 no hydrogen 2.981 N/A ASN 95.A ND2 TYR 257.A OH no hydrogen 3.097 N/A ARG 96.A N ASP 112.A O no hydrogen 2.878 N/A ARG 96.A NE GLU 99.A OE2 no hydrogen 2.881 N/A ARG 96.A NH1 GLN 235.A OE1 no hydrogen 2.890 N/A ARG 96.A NH1 ALA 343.A O no hydrogen 2.771 N/A ARG 96.A NH2 GLU 99.A OE1 no hydrogen 2.683 N/A ARG 96.A NH2 GLU 99.A OE2 no hydrogen 3.451 N/A ARG 96.A NH2 ALA 343.A O no hydrogen 2.909 N/A ARG 97.A N GLY 94.A O no hydrogen 2.900 N/A ARG 97.A NE ARG 337.A O no hydrogen 2.959 N/A ARG 97.A NH1 LEU 109.A O no hydrogen 2.876 N/A ARG 97.A NH2 ARG 337.A O no hydrogen 2.971 N/A SER 98.A N TRP 111.A O no hydrogen 2.918 N/A SER 98.A OG.A TRP 111.A O no hydrogen 3.097 N/A SER 98.A OG.B PRO 110.A O no hydrogen 2.677 N/A SER 98.A OG.B TRP 111.A O no hydrogen 2.881 N/A GLU 99.A N ARG 96.A O no hydrogen 3.259 N/A SER 101.A N ARG 97.A O no hydrogen 2.912 N/A SER 101.A OG ARG 97.A O no hydrogen 3.492 N/A ARG 102.A N SER 98.A O no hydrogen 3.092 N/A VAL 103.A N MET 100.A O no hydrogen 3.087 N/A ARG 104.A N MET 100.A O no hydrogen 3.229 N/A LYS 107.A N LEU 336.A O no hydrogen 2.940 N/A TRP 111.A N LEU 109.A O no hydrogen 2.829 N/A ASP 112.A N GLU 25.A OE2 no hydrogen 2.903 N/A GLY 114.A N GLU 25.A OE1 no hydrogen 2.803 N/A ALA 115.A N ASN 95.A OD1 no hydrogen 3.097 N/A SER 117.A N LEU 90.A O no hydrogen 3.106 N/A SER 117.A OG ILE 116.A O no hydrogen 2.660 N/A THR 118.A N THR 37.A OG1 no hydrogen 3.004 N/A THR 118.A OG1 THR 89.A OG1 no hydrogen 2.554 N/A ALA 119.A N ALA 88.A O no hydrogen 3.299 N/A ARG 120.A N ASN 182.A OD1 no hydrogen 2.879 N/A TRP 121.A N VAL 86.A O no hydrogen 2.760 N/A TRP 121.A NE1 ALA 88.A O no hydrogen 3.132 N/A GLY 122.A N GLU 180.A O no hydrogen 2.894 N/A GLY 123.A N HIS 84.A O no hydrogen 3.023 N/A ALA 124.A N LEU 177.A O no hydrogen 3.098 N/A LEU 126.A N VAL 175.A O no hydrogen 3.028 N/A ARG 127.A NH1 GLU 137.A OE1 no hydrogen 3.120 N/A ARG 127.A NH1 GLU 137.A OE2 no hydrogen 3.466 N/A ARG 127.A NH1 LEU 169.A O no hydrogen 2.789 N/A ARG 127.A NH2 GLU 137.A OE2 no hydrogen 2.791 N/A VAL 129.A N ARG 125.A O no hydrogen 3.172 N/A LEU 130.A N LEU 126.A O no hydrogen 2.910 N/A LEU 131.A N ARG 127.A O no hydrogen 2.947 N/A HIS 132.A N ASP 128.A O no hydrogen 3.099 N/A ALA 133.A N VAL 129.A O no hydrogen 3.026 N/A GLY 134.A N LEU 131.A O no hydrogen 2.980 N/A PHE 135.A N LEU 130.A O no hydrogen 3.094 N/A TRP 143.A NE1 GLN 140.A O no hydrogen 3.057 N/A HIS 144.A N SER 216.A O no hydrogen 2.791 N/A HIS 144.A ND1 ASP 218.A OD1 no hydrogen 2.730 N/A VAL 145.A N ILE 163.A O no hydrogen 2.847 N/A CYS 146.A N ALA 214.A O no hydrogen 2.673 N/A CYS 146.A SG ALA 161.A O no hydrogen 3.688 N/A PHE 147.A N ALA 161.A O no hydrogen 2.797 N/A GLU 148.A N ARG 212.A O no hydrogen 2.957 N/A GLY 149.A N TYR 159.A O no hydrogen 2.760 N/A LEU 150.A N TRP 209.A O no hydrogen 2.754 N/A ASP 153.A N ALA 157.A O no hydrogen 2.758 N/A GLY 155.A N ASP 153.A OD1 no hydrogen 2.817 N/A GLY 156.A N ASP 153.A O no hydrogen 2.831 N/A TYR 159.A N ASP 151.A O no hydrogen 2.899 N/A TYR 159.A OH ALA 204.A O no hydrogen 2.666 N/A ALA 161.A N PHE 147.A O no hydrogen 3.102 N/A SER 162.A N ASP 223.A OD2 no hydrogen 2.975 N/A ILE 163.A N VAL 145.A O no hydrogen 2.977 N/A TYR 165.A N TRP 143.A O no hydrogen 3.013 N/A TYR 165.A OH PRO 136.A O no hydrogen 2.642 N/A ARG 167.A N PRO 164.A O no hydrogen 3.129 N/A ARG 167.A NH2 GLU 231.A OE2 no hydrogen 3.408 N/A ALA 168.A N PRO 164.A O no hydrogen 3.266 N/A LEU 169.A N TYR 165.A O no hydrogen 3.048 N/A SER 170.A N GLY 166.A O no hydrogen 2.983 N/A ALA 173.A N SER 170.A O no hydrogen 3.322 N/A ALA 173.A N SER 170.A OG no hydrogen 3.170 N/A LEU 176.A N VAL 197.A O no hydrogen 3.072 N/A LEU 177.A N ALA 124.A O no hydrogen 2.747 N/A ALA 178.A N ARG 195.A O no hydrogen 2.741 N/A TYR 179.A N GLY 122.A O no hydrogen 2.885 N/A GLU 180.A N GLY 122.A O no hydrogen 2.976 N/A MET 181.A N THR 184.A O no hydrogen 2.803 N/A ASN 182.A N ARG 120.A O no hydrogen 2.811 N/A ASN 182.A ND2 ASN 39.A OD1 no hydrogen 2.941 N/A THR 184.A N MET 181.A O no hydrogen 3.201 N/A THR 184.A OG1 MET 181.A O no hydrogen 3.413 N/A LEU 186.A N TYR 179.A O no hydrogen 3.314 N/A ARG 188.A NH1 GLY 6.A O no hydrogen 2.806 N/A ARG 188.A NH2 GLY 6.A O no hydrogen 3.148 N/A ARG 188.A NH2 PRO 51.A O no hydrogen 3.153 N/A HIS 190.A N PRO 187.A O no hydrogen 3.022 N/A GLY 191.A N ARG 188.A O no hydrogen 3.199 N/A PHE 192.A N PRO 187.A O no hydrogen 3.173 N/A ARG 195.A N ALA 178.A O no hydrogen 3.050 N/A ARG 195.A NE VAL 196.A O no hydrogen 3.273 N/A ARG 195.A NH2 SER 206.A O no hydrogen 2.897 N/A VAL 196.A N VAL 207.A O no hydrogen 2.852 N/A VAL 197.A N LEU 176.A O no hydrogen 2.861 N/A VAL 198.A N SER 206.A OG no hydrogen 2.884 N/A VAL 202.A N GLN 230.A O no hydrogen 2.781 N/A GLY 203.A N GLN 91.A O no hydrogen 2.927 N/A ARG 205.A N VAL 202.A O no hydrogen 3.160 N/A ARG 205.A NE ILE 229.A O no hydrogen 3.130 N/A ARG 205.A NH1 ASP 225.A OD1 no hydrogen 3.294 N/A ARG 205.A NH2 ASP 225.A OD2 no hydrogen 3.046 N/A ARG 205.A NH2 ILE 229.A O no hydrogen 2.895 N/A SER 206.A N GLY 203.A O no hydrogen 2.932 N/A VAL 207.A N ARG 205.A O no hydrogen 3.008 N/A LYS 208.A NZ ARG 45.A O no hydrogen 2.890 N/A LYS 208.A NZ ASN 46.A OD1 no hydrogen 2.723 N/A LYS 208.A NZ ASP 189.A O no hydrogen 3.046 N/A TRP 209.A N GLY 191.A O no hydrogen 3.250 N/A TRP 209.A NE1 ARG 188.A O no hydrogen 2.710 N/A LEU 210.A N VAL 194.A O no hydrogen 2.900 N/A ARG 211.A N GLU 148.A O no hydrogen 2.769 N/A ARG 212.A N GLU 148.A O no hydrogen 3.350 N/A ARG 212.A NE ASP 63.A OD2 no hydrogen 2.976 N/A ARG 212.A NH2 ASP 63.A OD1 no hydrogen 3.231 N/A VAL 213.A N ARG 61.A O no hydrogen 2.759 N/A ALA 214.A N CYS 146.A O no hydrogen 2.863 N/A VAL 215.A N ASP 63.A O no hydrogen 3.097 N/A SER 216.A N HIS 144.A O no hydrogen 2.977 N/A ASP 218.A N GLU 142.A O no hydrogen 2.858 N/A CYS 221.A SG GLU 148.A OE2 no hydrogen 3.809 N/A TRP 224.A N GLY 160.A O no hydrogen 3.080 N/A TRP 224.A NE1 PRO 158.A O no hydrogen 2.753 N/A ASP 225.A N ASP 223.A OD1 no hydrogen 3.049 N/A THR 226.A N ASP 223.A O no hydrogen 3.167 N/A THR 226.A OG1 ASP 223.A O no hydrogen 2.919 N/A GLN 230.A NE2 SER 162.A O no hydrogen 3.160 N/A GLN 235.A N TRP 259.A O no hydrogen 2.797 N/A GLN 235.A NE2 GLN 91.A OE1 no hydrogen 3.015 N/A GLN 235.A NE2 SER 341.A O no hydrogen 2.979 N/A SER 236.A N GLN 235.A OE1 no hydrogen 3.086 N/A SER 236.A OG GLN 326.A OE1 no hydrogen 2.641 N/A ALA 237.A N TYR 257.A O no hydrogen 3.132 N/A VAL 238.A N HIS 345.A ND1 no hydrogen 2.865 N/A THR 239.A N LYS 255.A O no hydrogen 2.815 N/A THR 239.A OG1 LYS 255.A O no hydrogen 3.309 N/A GLN 240.A N LYS 255.A O no hydrogen 3.178 N/A GLN 240.A NE2 THR 253.A O no hydrogen 3.332 N/A ARG 242.A NH2 ASP 112.A OD2 no hydrogen 3.461 N/A GLY 244.A N ARG 348.A O no hydrogen 2.870 N/A ALA 245.A N ARG 242.A O no hydrogen 3.079 N/A VAL 247.A N SER 350.A O no hydrogen 2.814 N/A GLY 250.A N VAL 306.A O no hydrogen 3.074 N/A LEU 252.A N VAL 304.A O no hydrogen 2.749 N/A THR 253.A OG1 THR 303.A OG1 no hydrogen 3.107 N/A VAL 254.A N LEU 302.A O no hydrogen 2.748 N/A LYS 255.A N GLN 240.A O no hydrogen 2.923 N/A GLY 256.A N TRP 300.A O no hydrogen 3.063 N/A TYR 257.A N ALA 237.A O no hydrogen 3.110 N/A TYR 257.A OH ILE 113.A O no hydrogen 2.661 N/A ALA 258.A N ALA 298.A O no hydrogen 2.839 N/A TRP 259.A N GLN 235.A O no hydrogen 2.937 N/A TRP 259.A NE1 TRP 295.A O no hydrogen 2.933 N/A SER 260.A OG ASP 320.A OD2 no hydrogen 2.701 N/A GLY 262.A N GLY 200.A O no hydrogen 2.776 N/A ARG 264.A N GLY 261.A O no hydrogen 3.139 N/A ARG 264.A NE ASP 320.A OD2 no hydrogen 3.149 N/A ARG 264.A NH1 GLU 231.A OE1 no hydrogen 2.763 N/A ARG 264.A NH2 GLU 231.A OE1 no hydrogen 3.129 N/A GLU 265.A N SER 321.A OG no hydrogen 2.991 N/A VAL 267.A N VAL 319.A O no hydrogen 2.877 N/A ARG 268.A NE ASP 270.A OD1 no hydrogen 2.727 N/A ARG 268.A NE ASP 270.A OD2 no hydrogen 3.432 N/A ARG 268.A NH2 ASP 270.A OD1 no hydrogen 3.509 N/A ARG 268.A NH2 ASP 270.A OD2 no hydrogen 2.771 N/A ASP 270.A N LYS 317.A O no hydrogen 2.812 N/A VAL 271.A N LYS 280.A O no hydrogen 2.777 N/A SER 272.A N VAL 315.A O no hydrogen 2.810 N/A SER 272.A OG THR 278.A O no hydrogen 2.817 N/A ASP 274.A N SER 272.A OG no hydrogen 3.197 N/A GLY 275.A N GLU 313.A O no hydrogen 2.925 N/A GLY 276.A N SER 272.A OG no hydrogen 2.927 N/A ARG 277.A N ASP 274.A OD1 no hydrogen 3.119 N/A THR 278.A N ASP 274.A OD1 no hydrogen 2.994 N/A THR 278.A OG1 ASP 274.A OD1 no hydrogen 3.405 N/A THR 278.A OG1 ASP 274.A OD2 no hydrogen 2.677 N/A LYS 280.A N VAL 271.A O no hydrogen 2.788 N/A ALA 282.A N VAL 269.A O no hydrogen 2.885 N/A ARG 283.A N GLU 301.A O no hydrogen 2.946 N/A MET 285.A N LEU 299.A O no hydrogen 2.721 N/A ARG 293.A N PRO 290.A O no hydrogen 2.965 N/A ARG 293.A NE ASP 174.A OD2 no hydrogen 3.039 N/A ARG 293.A NH2 ASP 174.A OD1 no hydrogen 2.746 N/A ARG 293.A NH2 ASP 174.A OD2 no hydrogen 3.196 N/A ALA 294.A N GLY 263.A O no hydrogen 2.955 N/A TRP 295.A N ARG 293.A O no hydrogen 3.015 N/A TRP 295.A NE1 ASP 174.A OD2 no hydrogen 2.788 N/A TRP 297.A N THR 89.A OG1 no hydrogen 2.868 N/A TRP 297.A NE1 PHE 35.A O no hydrogen 2.913 N/A ALA 298.A N ALA 258.A O no hydrogen 2.771 N/A LEU 299.A N MET 285.A O no hydrogen 2.865 N/A TRP 300.A N GLY 256.A O no hydrogen 2.917 N/A TRP 300.A NE1 TYR 257.A O no hydrogen 3.060 N/A GLU 301.A N ARG 283.A O no hydrogen 3.021 N/A LEU 302.A N VAL 254.A O no hydrogen 2.819 N/A THR 303.A OG1 THR 253.A OG1 no hydrogen 3.107 N/A VAL 304.A N LEU 252.A O no hydrogen 2.909 N/A VAL 306.A N GLY 250.A O no hydrogen 2.640 N/A GLY 309.A N VAL 351.A O no hydrogen 3.211 N/A GLY 309.A N GLN 352.A O no hydrogen 3.229 N/A THR 310.A N GLU 307.A O no hydrogen 3.388 N/A THR 310.A OG1 GLU 307.A O no hydrogen 2.717 N/A LEU 312.A N VAL 349.A O no hydrogen 2.859 N/A GLU 313.A N LEU 273.A O no hydrogen 3.021 N/A ILE 314.A N VAL 347.A O no hydrogen 2.760 N/A VAL 315.A N SER 272.A O no hydrogen 2.929 N/A CYS 316.A N HIS 345.A O no hydrogen 3.282 N/A CYS 316.A SG SER 236.A OG no hydrogen 3.401 N/A LYS 317.A N ASP 270.A O no hydrogen 3.040 N/A LYS 317.A NZ ASP 270.A OD2 no hydrogen 2.749 N/A ALA 318.A N GLN 326.A OE1 no hydrogen 2.828 N/A VAL 319.A N ARG 268.A O no hydrogen 2.984 N/A ASP 320.A N ASN 324.A O no hydrogen 3.133 N/A SER 322.A N ASP 320.A OD1 no hydrogen 2.918 N/A TYR 323.A N ASP 320.A O no hydrogen 2.811 N/A ASN 324.A N ASP 320.A OD1 no hydrogen 2.981 N/A ASN 324.A ND2 ASP 320.A OD2 no hydrogen 3.190 N/A GLN 326.A NE2 THR 342.A O no hydrogen 2.914 N/A SER 329.A OG ASP 328.A OD1 no hydrogen 3.239 N/A ILE 333.A N VAL 330.A O no hydrogen 2.907 N/A TRP 334.A N ALA 331.A O no hydrogen 3.311 N/A TRP 334.A NE1 ARG 104.A O no hydrogen 2.878 N/A ASN 335.A ND2 ILE 333.A O no hydrogen 3.301 N/A ASN 335.A ND2 VAL 339.A O no hydrogen 2.829 N/A GLY 338.A N ASN 335.A O no hydrogen 2.882 N/A VAL 339.A N ASN 335.A OD1 no hydrogen 3.127 N/A LEU 340.A N ALA 93.A O no hydrogen 3.032 N/A SER 341.A OG ARG 96.A O no hydrogen 2.835 N/A TRP 344.A N PRO 327.A O no hydrogen 3.138 N/A TRP 344.A NE1 GLN 326.A O no hydrogen 3.078 N/A ARG 346.A NH1 GLY 275.A O no hydrogen 3.042 N/A ARG 346.A NH1 GLU 313.A OE2 no hydrogen 3.142 N/A VAL 347.A N ILE 314.A O no hydrogen 2.725 N/A VAL 349.A N LEU 312.A O no hydrogen 3.098 N/A SER 350.A N ALA 245.A O no hydrogen 3.029 N/A SER 350.A OG GLU 311.A OE1 no hydrogen 2.707 N/A SER 350.A OG GLU 311.A OE2 no hydrogen 3.458 N/A VAL 351.A N THR 310.A O no hydrogen 2.869 N/A GLN 352.A N VAL 247.A O no hydrogen 2.788 N/A GLN 352.A NE2 ALA 246.A O no hydrogen 2.923 N/A