Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bra_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N ASP 173.A OD1 no hydrogen 3.428 N/A MET 7.A N PHE 4.A O no hydrogen 2.847 N/A ASP 9.A N SER 166.A OG no hydrogen 2.763 N/A ASN 10.A N MET 7.A O no hydrogen 3.311 N/A ASN 10.A ND2 HIS 94.A O no hydrogen 3.089 N/A ASN 10.A ND2 MET 167.A O no hydrogen 2.925 N/A LEU 11.A N GLY 165.A O no hydrogen 2.936 N/A ARG 12.A N TYR 20.A O no hydrogen 3.037 N/A ARG 12.A NH1 ASP 9.A OD1 no hydrogen 3.410 N/A ARG 12.A NH1 ASP 9.A OD2 no hydrogen 2.862 N/A ARG 12.A NH1 LEU 11.A O no hydrogen 2.989 N/A ARG 12.A NH2 ASP 9.A OD1 no hydrogen 2.851 N/A LYS 14.A NZ GLY 117.A O no hydrogen 3.554 N/A SER 15.A OG PRO 300.A O no hydrogen 3.565 N/A GLN 17.A N LYS 14.A O no hydrogen 2.838 N/A TYR 19.A OH GLU 323.A OE1 no hydrogen 2.652 N/A TYR 20.A N ARG 12.A O no hydrogen 2.742 N/A VAL 21.A N ILE 34.A O no hydrogen 2.734 N/A MET 23.A N LEU 32.A O no hydrogen 2.736 N/A THR 24.A N SER 91.A O no hydrogen 3.023 N/A VAL 25.A N GLN 30.A O no hydrogen 3.056 N/A GLY 26.A N LEU 89.A O no hydrogen 2.775 N/A SER 27.A N SER 62.A OG no hydrogen 3.223 N/A SER 27.A OG THR 64.A OG1 no hydrogen 2.786 N/A GLN 30.A N VAL 25.A O no hydrogen 3.039 N/A GLN 30.A NE2 GLN 58.A O no hydrogen 2.930 N/A LEU 32.A N MET 23.A O no hydrogen 2.810 N/A ASN 33.A N GLU 121.A OE2 no hydrogen 3.051 N/A ASN 33.A ND2 ASN 119.A O no hydrogen 3.193 N/A ILE 34.A N VAL 21.A O no hydrogen 2.685 N/A LEU 35.A N GLY 122.A O no hydrogen 3.050 N/A VAL 36.A N TYR 19.A O no hydrogen 2.796 N/A ASP 37.A N LEU 124.A O no hydrogen 3.179 N/A THR 38.A N SER 222.A OG no hydrogen 3.065 N/A THR 38.A OG1 VAL 220.A O no hydrogen 2.885 N/A GLY 39.A N ASP 37.A OD1 no hydrogen 3.036 N/A SER 40.A OG ASP 37.A OD2 no hydrogen 2.549 N/A SER 41.A OG TYR 128.A O no hydrogen 2.654 N/A ASN 42.A ND2 ARG 133.A O no hydrogen 2.917 N/A ALA 44.A N ILE 123.A O no hydrogen 2.915 N/A VAL 45.A N ALA 105.A O no hydrogen 2.988 N/A GLY 46.A N GLU 121.A O no hydrogen 2.715 N/A ALA 47.A N ILE 107.A O no hydrogen 3.041 N/A HIS 50.A N ALA 48.A O no hydrogen 2.756 N/A PHE 52.A N HIS 50.A ND1 no hydrogen 3.105 N/A LEU 53.A N HIS 50.A O no hydrogen 3.033 N/A ARG 55.A NE GLU 121.A OE2 no hydrogen 2.680 N/A ARG 55.A NH2 ASN 119.A O no hydrogen 3.105 N/A ARG 55.A NH2 ASN 119.A OD1 no hydrogen 2.984 N/A ARG 55.A NH2 GLU 121.A OE1 no hydrogen 2.691 N/A ARG 55.A NH2 GLU 121.A OE2 no hydrogen 3.563 N/A TYR 57.A N GLY 46.A O no hydrogen 2.793 N/A TYR 57.A OH ASP 88.A OD2 no hydrogen 2.525 N/A GLN 58.A N GLN 30.A OE1 no hydrogen 2.829 N/A ARG 59.A NH1 TYR 65.A OH no hydrogen 3.501 N/A ARG 59.A NH1 GLU 84.A OE2 no hydrogen 2.580 N/A ARG 59.A NH2 GLU 84.A OE2 no hydrogen 3.121 N/A GLN 60.A N GLN 60.A OE1 no hydrogen 2.931 N/A LEU 61.A N GLN 58.A O no hydrogen 3.013 N/A SER 62.A N ARG 59.A O no hydrogen 2.935 N/A SER 62.A OG ASP 88.A OD1 no hydrogen 3.316 N/A SER 62.A OG ASP 88.A OD2 no hydrogen 2.656 N/A SER 63.A N SER 27.A O no hydrogen 2.983 N/A SER 63.A OG SER 27.A O no hydrogen 3.533 N/A THR 64.A OG1 SER 27.A OG no hydrogen 2.786 N/A THR 64.A OG1 ASP 88.A OD1 no hydrogen 2.731 N/A ARG 66.A N THR 87.A O no hydrogen 2.881 N/A LEU 68.A N LEU 85.A O no hydrogen 3.063 N/A ARG 69.A N ASP 67.A OD1 no hydrogen 2.819 N/A VAL 72.A N GLY 83.A O no hydrogen 2.983 N/A VAL 74.A N TRP 81.A O no hydrogen 2.722 N/A TYR 76.A N GLY 79.A O no hydrogen 2.894 N/A GLN 78.A N GLN 78.A OE1 no hydrogen 2.579 N/A LYS 80.A N ASP 111.A O no hydrogen 2.871 N/A LYS 80.A NZ GLU 109.A OE1 no hydrogen 2.499 N/A TRP 81.A N VAL 74.A O no hydrogen 2.923 N/A GLU 82.A N GLU 109.A O no hydrogen 2.795 N/A GLY 83.A N VAL 72.A O no hydrogen 2.974 N/A GLU 84.A N ALA 106.A O no hydrogen 2.910 N/A LEU 85.A N LYS 70.A O no hydrogen 2.869 N/A GLY 86.A N ILE 104.A O no hydrogen 3.038 N/A THR 87.A N ARG 66.A O no hydrogen 2.907 N/A ASP 88.A N ALA 102.A O no hydrogen 3.206 N/A LEU 89.A N ASP 88.A OD1 no hydrogen 2.755 N/A VAL 90.A N VAL 100.A O no hydrogen 2.647 N/A SER 91.A N THR 24.A O no hydrogen 2.976 N/A SER 91.A OG VAL 98.A O no hydrogen 3.032 N/A GLY 95.A N ILE 92.A O no hydrogen 2.760 N/A VAL 98.A N PRO 96.A O no hydrogen 2.785 N/A THR 99.A OG1 SER 91.A OG no hydrogen 2.802 N/A VAL 100.A N VAL 90.A O no hydrogen 2.889 N/A ARG 101.A N GLN 148.A OE1 no hydrogen 2.890 N/A ARG 101.A NH1 THR 64.A O no hydrogen 3.009 N/A ARG 101.A NH1 THR 87.A OG1 no hydrogen 3.008 N/A ARG 101.A NH2 THR 64.A O no hydrogen 2.762 N/A ALA 102.A N ASP 88.A O no hydrogen 3.037 N/A ASN 103.A ND2 GLU 139.A O no hydrogen 2.930 N/A ILE 104.A N GLY 86.A O no hydrogen 2.847 N/A ALA 105.A N PHE 43.A O no hydrogen 2.892 N/A ALA 106.A N GLU 84.A O no hydrogen 2.852 N/A ILE 107.A N VAL 45.A O no hydrogen 2.893 N/A THR 108.A N GLU 82.A O no hydrogen 2.986 N/A GLU 109.A N GLU 82.A O no hydrogen 3.256 N/A ASP 111.A N LYS 80.A O no hydrogen 2.794 N/A SER 118.A N ILE 115.A O no hydrogen 3.212 N/A SER 118.A OG ILE 115.A O no hydrogen 3.179 N/A ASN 119.A ND2 TYR 20.A OH no hydrogen 3.166 N/A TRP 120.A NE1 GLN 17.A O no hydrogen 3.127 N/A GLU 121.A N ASN 33.A O no hydrogen 2.932 N/A ILE 123.A N ALA 44.A O no hydrogen 2.601 N/A LEU 124.A N LEU 35.A O no hydrogen 2.759 N/A GLY 125.A N ASN 42.A O no hydrogen 2.883 N/A LEU 126.A N ASP 37.A O no hydrogen 2.918 N/A ALA 127.A N SER 40.A O no hydrogen 2.837 N/A TYR 128.A N TRP 190.A O no hydrogen 3.017 N/A ILE 131.A N TYR 128.A O no hydrogen 3.255 N/A ALA 132.A N ALA 129.A O no hydrogen 2.912 N/A ARG 133.A N ASN 42.A OD1 no hydrogen 2.877 N/A SER 137.A N ASP 135.A OD2 no hydrogen 2.863 N/A SER 137.A OG ASP 135.A OD2 no hydrogen 2.492 N/A LEU 138.A N ASP 135.A O no hydrogen 3.211 N/A SER 144.A N PRO 140.A O no hydrogen 3.197 N/A SER 144.A OG GLU 139.A OE2 no hydrogen 2.644 N/A SER 144.A OG PRO 140.A O no hydrogen 3.509 N/A LEU 145.A N PHE 141.A O no hydrogen 2.997 N/A VAL 146.A N PHE 142.A O no hydrogen 3.060 N/A LYS 147.A N ASP 143.A O no hydrogen 2.864 N/A GLN 148.A N SER 144.A O no hydrogen 3.003 N/A GLN 148.A NE2 ARG 101.A O no hydrogen 2.881 N/A THR 149.A N LEU 145.A O no hydrogen 3.054 N/A THR 149.A OG1 LEU 145.A O no hydrogen 2.877 N/A VAL 151.A N THR 149.A OG1 no hydrogen 3.213 N/A LEU 154.A N PRO 152.A O no hydrogen 2.882 N/A PHE 155.A N PHE 329.A O no hydrogen 3.303 N/A SER 156.A N ILE 168.A O no hydrogen 2.844 N/A SER 156.A OG GLY 171.A O no hydrogen 2.897 N/A SER 156.A OG TYR 326.A OH no hydrogen 2.538 N/A LEU 157.A N VAL 327.A O no hydrogen 2.729 N/A GLN 158.A N SER 166.A O no hydrogen 2.924 N/A GLN 158.A NE2 LEU 176.A O no hydrogen 3.143 N/A CYS 160.A N GLY 164.A O no hydrogen 2.850 N/A CYS 160.A SG GLN 158.A OE1 no hydrogen 3.576 N/A VAL 163.A N GLY 13.A O no hydrogen 3.394 N/A GLY 164.A N CYS 160.A O no hydrogen 3.404 N/A SER 166.A N GLN 158.A O no hydrogen 2.812 N/A MET 167.A N ASN 10.A OD1 no hydrogen 2.713 N/A ILE 168.A N SER 156.A O no hydrogen 2.989 N/A GLY 170.A N LEU 154.A O no hydrogen 2.796 N/A ASP 173.A N TYR 326.A OH no hydrogen 2.944 N/A HIS 174.A N GLY 2.A O no hydrogen 3.183 N/A HIS 174.A ND1 TYR 177.A OH no hydrogen 2.725 N/A SER 175.A N ASP 173.A OD2 no hydrogen 2.917 N/A SER 175.A OG ASP 173.A OD2 no hydrogen 2.710 N/A LEU 176.A N ASP 173.A O no hydrogen 2.993 N/A TYR 177.A OH HIS 174.A ND1 no hydrogen 2.725 N/A THR 178.A N VAL 340.A O no hydrogen 3.071 N/A SER 180.A OG LEU 181.A O no hydrogen 3.246 N/A TRP 182.A N PHE 338.A O no hydrogen 2.823 N/A THR 184.A N ILE 336.A O no hydrogen 2.898 N/A THR 184.A OG1 MET 280.A O no hydrogen 2.638 N/A ILE 186.A N LYS 334.A O no hydrogen 2.814 N/A ARG 187.A N GLU 193.A O no hydrogen 2.748 N/A ARG 187.A NH1 GLU 193.A OE2 no hydrogen 3.273 N/A ARG 187.A NH1 TYR 368.A O no hydrogen 2.656 N/A ARG 187.A NH2 TYR 368.A O no hydrogen 3.098 N/A TRP 190.A N ARG 188.A O no hydrogen 3.137 N/A TRP 190.A N TYR 191.A O no hydrogen 3.203 N/A TRP 190.A NE1 GLU 193.A OE1 no hydrogen 2.955 N/A TYR 192.A OH LEU 126.A O no hydrogen 2.632 N/A VAL 194.A N SER 218.A O no hydrogen 2.895 N/A ILE 196.A N ASN 214.A OD1 no hydrogen 2.737 N/A VAL 197.A N TYR 278.A O no hydrogen 2.770 N/A ARG 198.A NE GLU 200.A OE2 no hydrogen 3.085 N/A ARG 198.A NH2 GLU 200.A OE2 no hydrogen 2.894 N/A GLU 200.A N SER 276.A O no hydrogen 2.894 N/A ILE 201.A N GLN 204.A O no hydrogen 2.883 N/A ASN 202.A N VAL 274.A O no hydrogen 2.875 N/A GLN 204.A N ILE 201.A O no hydrogen 3.034 N/A LEU 206.A N VAL 199.A O no hydrogen 3.286 N/A LYS 207.A N ASP 205.A OD1 no hydrogen 3.183 N/A LYS 211.A N ASP 209.A OD1 no hydrogen 3.179 N/A LYS 211.A NZ ASP 365.A O no hydrogen 2.926 N/A GLU 212.A N ASP 209.A O no hydrogen 3.022 N/A TYR 213.A N CYS 210.A O no hydrogen 2.940 N/A ASN 214.A ND2 ILE 196.A O no hydrogen 2.758 N/A ASN 214.A ND2 CYS 210.A O no hydrogen 3.243 N/A ASN 214.A ND2 CYS 366.A O no hydrogen 2.996 N/A TYR 215.A N GLU 212.A O no hydrogen 3.005 N/A LYS 217.A NZ ASP 216.A OD1 no hydrogen 3.451 N/A LYS 217.A NZ ASP 216.A OD2 no hydrogen 3.551 N/A LYS 217.A NZ THR 313.A O no hydrogen 2.697 N/A SER 218.A OG ASN 214.A OD1 no hydrogen 2.706 N/A ILE 219.A N THR 315.A O no hydrogen 3.006 N/A VAL 220.A N TYR 192.A O no hydrogen 3.059 N/A ASP 221.A N MET 317.A O no hydrogen 3.042 N/A SER 222.A N THR 38.A OG1 no hydrogen 2.954 N/A SER 222.A OG VAL 36.A O no hydrogen 2.832 N/A GLY 223.A N ASP 221.A OD1 no hydrogen 2.766 N/A THR 224.A OG1 ASP 221.A OD2 no hydrogen 2.658 N/A THR 225.A OG1 GLY 16.A O no hydrogen 3.322 N/A LEU 227.A N ALA 307.A O no hydrogen 2.889 N/A ARG 228.A N VAL 316.A O no hydrogen 2.836 N/A LEU 229.A N SER 309.A O no hydrogen 2.819 N/A PHE 234.A N PRO 230.A O no hydrogen 2.612 N/A GLU 235.A N LYS 231.A O no hydrogen 2.820 N/A ALA 236.A N LYS 232.A O no hydrogen 3.240 N/A ALA 237.A N VAL 233.A O no hydrogen 2.685 N/A VAL 238.A N PHE 234.A O no hydrogen 2.836 N/A ALA 239.A N GLU 235.A O no hydrogen 3.281 N/A SER 240.A N ALA 236.A O no hydrogen 3.117 N/A ILE 241.A N ALA 237.A O no hydrogen 2.908 N/A LYS 242.A N VAL 238.A O no hydrogen 2.573 N/A ALA 243.A N ALA 239.A O no hydrogen 3.168 N/A ALA 244.A N SER 240.A O no hydrogen 2.842 N/A SER 245.A OG ILE 241.A O no hydrogen 2.622 N/A SER 245.A OG LYS 242.A O no hydrogen 3.447 N/A LEU 255.A N GLY 252.A O no hydrogen 3.089 N/A GLY 256.A N PHE 253.A O no hydrogen 3.244 N/A GLU 257.A N GLY 252.A O no hydrogen 2.797 N/A VAL 260.A N TYR 304.A O no hydrogen 3.438 N/A TRP 262.A N ASP 302.A O no hydrogen 3.002 N/A GLN 263.A NE2 ALA 264.A O no hydrogen 3.252 N/A GLY 265.A N ASP 302.A OD1 no hydrogen 3.282 N/A THR 266.A N GLN 263.A O no hydrogen 3.036 N/A THR 266.A OG1 GLN 263.A O no hydrogen 2.522 N/A THR 267.A OG1 TYR 304.A OH no hydrogen 2.713 N/A PHE 272.A N TRP 269.A O no hydrogen 2.951 N/A ILE 275.A N ILE 292.A O no hydrogen 3.142 N/A SER 276.A N GLU 200.A O no hydrogen 2.875 N/A SER 276.A OG THR 291.A OG1 no hydrogen 2.581 N/A LEU 277.A N ILE 290.A O no hydrogen 2.890 N/A TYR 278.A N ARG 198.A O no hydrogen 2.749 N/A TYR 278.A OH GLU 200.A OE1 no hydrogen 3.170 N/A TYR 278.A OH GLU 200.A OE2 no hydrogen 2.781 N/A LEU 279.A N PHE 288.A O no hydrogen 2.888 N/A MET 280.A N ILE 195.A O no hydrogen 3.072 N/A GLY 281.A N GLN 286.A O no hydrogen 2.839 N/A VAL 283.A N GLN 286.A OE1 no hydrogen 3.124 N/A GLN 286.A N VAL 283.A O no hydrogen 2.821 N/A GLN 286.A NE2 SER 287.A O no hydrogen 3.163 N/A SER 287.A N PHE 358.A O no hydrogen 2.905 N/A SER 287.A OG THR 360.A OG1 no hydrogen 2.724 N/A PHE 288.A N LEU 279.A O no hydrogen 3.179 N/A ARG 289.A N GLU 355.A O no hydrogen 2.754 N/A ARG 289.A NE GLU 355.A OE2 no hydrogen 3.031 N/A ARG 289.A NH1 TYR 278.A OH no hydrogen 3.004 N/A ARG 289.A NH2 GLU 355.A OE2 no hydrogen 2.809 N/A ILE 290.A N LEU 277.A O no hydrogen 2.903 N/A THR 291.A N ALA 353.A O no hydrogen 2.739 N/A THR 291.A OG1 SER 276.A OG no hydrogen 2.581 N/A ILE 292.A N ILE 275.A O no hydrogen 2.948 N/A LEU 293.A N GLN 296.A OE1 no hydrogen 2.880 N/A GLN 295.A N GLN 295.A OE1 no hydrogen 2.572 N/A GLN 296.A N LEU 293.A O no hydrogen 2.950 N/A TYR 297.A N LEU 293.A O no hydrogen 3.427 N/A TYR 297.A OH PRO 273.A O no hydrogen 2.561 N/A LEU 298.A N PRO 294.A O no hydrogen 2.703 N/A ARG 299.A N LYS 305.A O no hydrogen 3.269 N/A VAL 301.A N CYS 303.A O no hydrogen 2.822 N/A TYR 304.A N VAL 260.A O no hydrogen 3.073 N/A TYR 304.A OH THR 267.A OG1 no hydrogen 2.713 N/A LYS 305.A N ARG 299.A O no hydrogen 2.835 N/A LYS 305.A NZ GLY 256.A O no hydrogen 3.372 N/A ALA 307.A N TYR 297.A O no hydrogen 2.779 N/A SER 309.A N LEU 227.A O no hydrogen 3.261 N/A SER 311.A OG THR 313.A OG1 no hydrogen 3.261 N/A SER 311.A OG GLY 314.A O no hydrogen 2.764 N/A THR 313.A N SER 311.A OG no hydrogen 2.807 N/A THR 313.A OG1 SER 311.A OG no hydrogen 3.261 N/A THR 315.A N LYS 217.A O no hydrogen 2.604 N/A THR 315.A OG1 TYR 213.A O no hydrogen 2.549 N/A THR 315.A OG1 SER 218.A OG no hydrogen 3.325 N/A VAL 316.A N ARG 228.A O no hydrogen 2.774 N/A MET 317.A N ILE 219.A O no hydrogen 2.925 N/A ALA 319.A N THR 224.A O no hydrogen 2.882 N/A VAL 320.A N THR 225.A O no hydrogen 3.092 N/A MET 322.A N GLY 318.A O no hydrogen 2.938 N/A GLU 323.A N ALA 319.A O no hydrogen 2.841 N/A GLY 324.A N ILE 321.A O no hydrogen 3.040 N/A PHE 325.A N MET 322.A O no hydrogen 3.097 N/A TYR 326.A N ALA 339.A O no hydrogen 2.766 N/A VAL 327.A N LEU 157.A O no hydrogen 2.976 N/A VAL 328.A N GLY 337.A O no hydrogen 2.913 N/A PHE 329.A N PHE 155.A O no hydrogen 2.748 N/A ASP 330.A N ARG 335.A O no hydrogen 2.944 N/A ARG 331.A N PHE 329.A O no hydrogen 2.987 N/A ARG 331.A NE ASN 153.A OD1 no hydrogen 3.035 N/A ARG 331.A NH1 TYR 192.A OH no hydrogen 2.920 N/A ARG 331.A NH2 ASP 143.A OD2 no hydrogen 3.329 N/A ALA 332.A N ASN 153.A O no hydrogen 3.003 N/A ARG 333.A N ASP 330.A O no hydrogen 3.272 N/A ARG 333.A N ASP 330.A OD1 no hydrogen 3.404 N/A ARG 333.A NE ASP 330.A OD2 no hydrogen 2.951 N/A ARG 333.A NH2 ASP 330.A OD2 no hydrogen 2.971 N/A LYS 334.A N ARG 331.A O no hydrogen 3.247 N/A ARG 335.A N ASP 330.A O no hydrogen 3.120 N/A ARG 335.A NE ASP 330.A OD2 no hydrogen 2.936 N/A ARG 335.A NH1 GLU 282.A OE2 no hydrogen 2.647 N/A ARG 335.A NH2 ASP 330.A OD2 no hydrogen 3.306 N/A ILE 336.A N THR 184.A O no hydrogen 2.816 N/A GLY 337.A N VAL 328.A O no hydrogen 2.864 N/A PHE 338.A N TRP 182.A O no hydrogen 2.728 N/A ALA 339.A N TYR 326.A O no hydrogen 3.100 N/A SER 341.A N GLY 324.A O no hydrogen 3.230 N/A ALA 342.A N LEU 176.A O no hydrogen 3.056 N/A CYS 343.A N SER 341.A OG no hydrogen 3.164 N/A CYS 343.A SG SER 341.A OG no hydrogen 3.221 N/A HIS 344.A ND1 SER 341.A O no hydrogen 2.931 N/A HIS 346.A ND1 ASP 347.A O no hydrogen 3.056 N/A PHE 349.A N ASP 347.A OD1 no hydrogen 2.880 N/A ARG 350.A N ASP 347.A OD1 no hydrogen 2.772 N/A ARG 350.A NH1 PHE 272.A O no hydrogen 2.778 N/A ARG 350.A NH2 TRP 269.A O no hydrogen 2.971 N/A ARG 350.A NH2 PHE 272.A O no hydrogen 2.865 N/A ALA 352.A N HIS 344.A NE2 no hydrogen 3.235 N/A ALA 353.A N THR 291.A O no hydrogen 3.139 N/A GLU 355.A N ARG 289.A O no hydrogen 2.801 N/A PHE 358.A N SER 287.A O no hydrogen 2.900 N/A THR 360.A N ASN 285.A O no hydrogen 2.969 N/A THR 360.A OG1 SER 287.A OG no hydrogen 2.724 N/A ASP 365.A N ASP 362.A O no hydrogen 3.011 N/A CYS 366.A N MET 363.A O no hydrogen 3.176 N/A CYS 366.A SG ASP 362.A O no hydrogen 3.934 N/A GLY 367.A N GLU 364.A O no hydrogen 3.007 N/A