Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3au7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 2.A N VAL 50.A O no hydrogen 2.646 N/A ARG 3.A NH1 GLU 74.A OE2 no hydrogen 2.761 N/A VAL 4.A N VAL 48.A O no hydrogen 2.811 N/A TRP 5.A N VAL 72.A O no hydrogen 2.561 N/A VAL 6.A N PHE 46.A O no hydrogen 2.876 N/A GLY 7.A N VAL 70.A O no hydrogen 2.784 N/A ILE 8.A N VAL 44.A O no hydrogen 2.814 N/A ASP 9.A N GLY 68.A O no hydrogen 2.779 N/A THR 10.A OG1 TYR 138.A OH no hydrogen 2.850 N/A VAL 14.A N THR 10.A O no hydrogen 3.023 N/A LEU 15.A N TYR 11.A O no hydrogen 2.970 N/A ALA 16.A N LEU 12.A O no hydrogen 2.852 N/A MET 17.A N ALA 13.A O no hydrogen 2.744 N/A GLU 18.A N VAL 14.A O no hydrogen 3.053 N/A ARG 19.A N LEU 15.A O no hydrogen 3.299 N/A ARG 19.A NH1 GLU 62.A OE1 no hydrogen 3.391 N/A ARG 19.A NH2 GLU 23.A OE1 no hydrogen 3.337 N/A ARG 19.A NH2 GLU 62.A OE1 no hydrogen 3.239 N/A VAL 20.A N ALA 16.A O no hydrogen 3.017 N/A GLU 21.A N MET 17.A O no hydrogen 2.781 N/A ARG 22.A N ARG 19.A O no hydrogen 3.222 N/A GLU 23.A N ARG 19.A O no hydrogen 2.688 N/A GLU 23.A N VAL 20.A O no hydrogen 3.299 N/A LEU 24.A N VAL 20.A O no hydrogen 3.004 N/A GLY 25.A N VAL 20.A O no hydrogen 2.883 N/A VAL 27.A N GLU 21.A OE1 no hydrogen 3.027 N/A ILE 28.A N LEU 47.A O no hydrogen 2.925 N/A ARG 32.A N SER 45.A O no hydrogen 2.665 N/A ARG 32.A NE SER 45.A OG no hydrogen 3.351 N/A ARG 32.A NH1 ALA 126.A O no hydrogen 3.305 N/A ARG 32.A NH2 ALA 123.A O no hydrogen 2.793 N/A ARG 32.A NH2 ALA 126.A O no hydrogen 2.925 N/A LEU 33.A N VAL 218.A O no hydrogen 2.810 N/A ILE 34.A N ALA 43.A O no hydrogen 2.716 N/A ARG 35.A N ASN 220.A OD1 no hydrogen 2.877 N/A ARG 35.A NE HIS 221.A NE2 no hydrogen 2.833 N/A LEU 36.A N ASN 41.A O no hydrogen 2.859 N/A ASN 37.A N ALA 87.A O no hydrogen 3.061 N/A ASN 37.A ND2 ASP 90.A O no hydrogen 2.775 N/A ASN 37.A ND2 TYR 239.A O no hydrogen 2.849 N/A THR 39.A N ASN 37.A OD1 no hydrogen 3.040 N/A THR 39.A OG1 ASN 37.A OD1 no hydrogen 2.603 N/A ILE 40.A N ASN 37.A O no hydrogen 3.325 N/A VAL 44.A N ILE 8.A O no hydrogen 3.206 N/A SER 45.A N ARG 32.A O no hydrogen 2.883 N/A SER 45.A OG ALA 123.A O no hydrogen 2.811 N/A PHE 46.A N VAL 6.A O no hydrogen 3.022 N/A VAL 48.A N VAL 4.A O no hydrogen 2.810 N/A GLU 49.A N LYS 26.A O no hydrogen 3.364 N/A GLU 55.A N ASP 52.A O no hydrogen 2.611 N/A LEU 56.A N ASP 52.A O no hydrogen 3.039 N/A VAL 57.A N VAL 53.A O no hydrogen 3.026 N/A ASP 58.A N GLY 54.A O no hydrogen 3.196 N/A VAL 59.A N GLU 55.A O no hydrogen 3.029 N/A VAL 60.A N LEU 56.A O no hydrogen 3.419 N/A ASN 61.A N VAL 57.A O no hydrogen 3.233 N/A GLU 62.A N ASP 58.A O no hydrogen 3.258 N/A VAL 63.A N VAL 59.A O no hydrogen 3.116 N/A ILE 64.A N VAL 60.A O no hydrogen 2.822 N/A ILE 65.A N GLU 62.A O no hydrogen 2.684 N/A ALA 69.A N LEU 109.A O no hydrogen 3.299 N/A VAL 70.A N GLY 7.A O no hydrogen 2.776 N/A PHE 71.A N PRO 107.A O no hydrogen 3.084 N/A VAL 72.A N TRP 5.A O no hydrogen 3.016 N/A ALA 77.A N ASP 73.A O no hydrogen 2.968 N/A VAL 78.A N GLU 75.A O no hydrogen 3.340 N/A LYS 79.A N LEU 76.A O no hydrogen 2.645 N/A LEU 80.A N LEU 76.A O no hydrogen 3.121 N/A LYS 81.A N VAL 78.A O no hydrogen 3.405 N/A LYS 81.A NZ ASP 85.A OD1 no hydrogen 2.618 N/A ALA 84.A N LEU 80.A O no hydrogen 2.936 N/A ASP 85.A N LYS 81.A O no hydrogen 3.168 N/A LYS 86.A N PRO 82.A O no hydrogen 3.040 N/A LYS 86.A NZ GLU 96.A OE1 no hydrogen 2.733 N/A LYS 86.A NZ GLU 96.A OE2 no hydrogen 3.552 N/A ALA 87.A N PHE 83.A O no hydrogen 3.047 N/A ILE 88.A N ALA 84.A O no hydrogen 3.032 N/A ILE 88.A N ASP 85.A O no hydrogen 3.296 N/A LYS 89.A N ASP 85.A O no hydrogen 2.931 N/A LYS 89.A NZ LEU 227.A O no hydrogen 3.461 N/A ASP 90.A N LYS 86.A O no hydrogen 2.909 N/A VAL 91.A N ASP 90.A OD1 no hydrogen 2.495 N/A GLN 93.A N GLU 96.A OE2 no hydrogen 2.937 N/A GLU 96.A N GLN 93.A O no hydrogen 3.006 N/A ALA 97.A N ILE 94.A O no hydrogen 3.224 N/A LEU 98.A N ILE 94.A O no hydrogen 3.075 N/A PHE 99.A N ASP 95.A O no hydrogen 2.863 N/A VAL 100.A N GLU 96.A O no hydrogen 3.394 N/A ILE 101.A N ALA 97.A O no hydrogen 3.019 N/A GLY 102.A N LEU 98.A O no hydrogen 2.983 N/A LYS 103.A N PHE 99.A O no hydrogen 2.672 N/A TYR 104.A N VAL 100.A O no hydrogen 3.115 N/A PHE 105.A N GLY 102.A O no hydrogen 3.463 N/A ILE 106.A N ILE 101.A O no hydrogen 2.957 N/A LEU 109.A N ALA 69.A O no hydrogen 2.989 N/A ARG 110.A NE LYS 112.A O no hydrogen 3.198 N/A LEU 117.A N GLY 114.A O no hydrogen 3.003 N/A ALA 120.A N GLY 116.A O no hydrogen 3.019 N/A LEU 121.A N LEU 117.A O no hydrogen 2.997 N/A ALA 122.A N ILE 118.A O no hydrogen 2.978 N/A ALA 123.A N GLY 119.A O no hydrogen 2.787 N/A VAL 124.A N ALA 120.A O no hydrogen 3.432 N/A GLY 125.A N LEU 121.A O no hydrogen 2.929 N/A ALA 126.A N ALA 122.A O no hydrogen 2.997 N/A PHE 131.A N ASP 130.A OD1 no hydrogen 2.664 N/A THR 132.A N THR 219.A O no hydrogen 3.044 N/A THR 132.A OG1 HIS 221.A O no hydrogen 2.653 N/A LEU 133.A N GLY 193.A O no hydrogen 2.965 N/A GLU 134.A N PHE 217.A O no hydrogen 3.012 N/A LEU 135.A N ILE 191.A O no hydrogen 2.694 N/A ILE 136.A N MET 215.A O no hydrogen 2.867 N/A ALA 137.A N TYR 189.A O no hydrogen 2.891 N/A TYR 138.A N ARG 213.A O no hydrogen 2.786 N/A TYR 138.A OH THR 10.A OG1 no hydrogen 2.850 N/A ARG 139.A N PRO 186.A O no hydrogen 2.977 N/A ARG 139.A NE GLU 209.A OE1 no hydrogen 3.000 N/A ARG 139.A NH1 THR 146.A O no hydrogen 3.004 N/A ARG 139.A NH2 GLU 209.A OE1 no hydrogen 3.525 N/A ARG 143.A N TYR 140.A O no hydrogen 2.826 N/A PHE 144.A N PRO 141.A O no hydrogen 2.914 N/A THR 146.A N ARG 143.A O no hydrogen 3.066 N/A THR 146.A OG1 ARG 143.A O no hydrogen 2.782 N/A ARG 148.A NE VAL 187.A O no hydrogen 2.813 N/A ARG 148.A NH1 THR 183.A O no hydrogen 3.111 N/A ARG 148.A NH2 THR 183.A O no hydrogen 2.746 N/A ARG 148.A NH2 VAL 187.A O no hydrogen 2.747 N/A GLU 149.A N GLU 209.A OE2 no hydrogen 3.126 N/A ASP 151.A N LYS 207.A O no hydrogen 2.898 N/A SER 154.A N ASP 151.A O no hydrogen 2.852 N/A SER 154.A OG ASP 151.A O no hydrogen 2.563 N/A PHE 155.A N GLU 152.A O no hydrogen 3.137 N/A PHE 156.A N GLU 152.A O no hydrogen 3.400 N/A ASP 157.A N GLU 153.A O no hydrogen 2.882 N/A MET 158.A N SER 154.A O no hydrogen 2.904 N/A ASP 159.A N PHE 155.A O no hydrogen 2.974 N/A TYR 160.A N PHE 156.A O no hydrogen 3.079 N/A GLU 161.A N ASP 157.A O no hydrogen 3.041 N/A GLU 161.A N MET 158.A O no hydrogen 3.147 N/A LEU 162.A N MET 158.A O no hydrogen 2.881 N/A TYR 163.A N ASP 159.A O no hydrogen 2.897 N/A GLN 165.A N LEU 162.A O no hydrogen 2.715 N/A PHE 167.A N ARG 192.A O no hydrogen 2.933 N/A ASN 169.A ND2 ARG 192.A O no hydrogen 3.278 N/A ASP 171.A N VAL 176.A O no hydrogen 2.621 N/A TRP 172.A N ARG 355.A O no hydrogen 2.965 N/A TRP 172.A NE1 ASP 159.A OD1 no hydrogen 2.945 N/A CYS 173.A N ARG 355.A OXT no hydrogen 3.083 N/A ASN 174.A N ASP 171.A OD1 no hydrogen 2.860 N/A ASN 174.A ND2 ASP 171.A OD1 no hydrogen 3.320 N/A ASN 174.A ND2 ASP 171.A OD2 no hydrogen 3.032 N/A ASN 174.A ND2 GLN 281.A OE1 no hydrogen 2.536 N/A ASP 175.A N TRP 172.A O no hydrogen 2.978 N/A VAL 176.A N ASP 171.A O no hydrogen 2.885 N/A CYS 179.A N ASN 169.A O no hydrogen 2.943 N/A CYS 179.A SG ASN 169.A O no hydrogen 3.613 N/A CYS 185.A SG THR 183.A O no hydrogen 3.734 N/A CYS 185.A SG THR 183.A OG1 no hydrogen 2.915 N/A LEU 188.A N ALA 137.A O no hydrogen 2.832 N/A TYR 189.A N ALA 137.A O no hydrogen 3.465 N/A GLY 190.A N CYS 179.A O no hydrogen 2.892 N/A ILE 191.A N LEU 135.A O no hydrogen 2.888 N/A ARG 192.A N ASN 169.A OD1 no hydrogen 2.911 N/A ARG 192.A NE GLU 134.A OE1 no hydrogen 2.946 N/A ARG 192.A NH2 HIS 338.A ND1 no hydrogen 2.999 N/A GLY 193.A N LEU 133.A O no hydrogen 2.906 N/A GLU 194.A N GLN 165.A O no hydrogen 2.767 N/A ALA 198.A N SER 195.A OG no hydrogen 3.312 N/A LEU 199.A N SER 195.A O no hydrogen 3.036 N/A TYR 200.A N VAL 196.A O no hydrogen 2.737 N/A LYS 201.A N GLU 197.A O no hydrogen 2.978 N/A ALA 202.A N ALA 198.A O no hydrogen 2.817 N/A MET 203.A N LEU 199.A O no hydrogen 2.881 N/A GLU 204.A N TYR 200.A O no hydrogen 3.256 N/A GLU 204.A N LYS 201.A O no hydrogen 3.051 N/A SER 205.A N LYS 201.A O no hydrogen 3.150 N/A SER 205.A N ALA 202.A O no hydrogen 2.941 N/A SER 205.A OG ALA 202.A O no hydrogen 2.992 N/A VAL 206.A N ALA 202.A O no hydrogen 3.107 N/A LYS 207.A N SER 154.A OG no hydrogen 3.054 N/A THR 208.A OG1 GLU 209.A O no hydrogen 2.672 N/A GLU 209.A N GLU 149.A O no hydrogen 3.024 N/A ASP 212.A N TYR 138.A O no hydrogen 2.955 N/A ARG 213.A NE GLU 18.A OE1 no hydrogen 3.002 N/A ARG 213.A NE GLU 18.A OE2 no hydrogen 3.088 N/A MET 215.A N ILE 136.A O no hydrogen 3.026 N/A PHE 217.A N GLU 134.A O no hydrogen 2.662 N/A VAL 218.A N PRO 31.A O no hydrogen 3.022 N/A THR 219.A N THR 132.A O no hydrogen 2.940 N/A THR 219.A OG1 THR 132.A O no hydrogen 3.365 N/A ASN 220.A ND2 ARG 35.A O no hydrogen 3.228 N/A HIS 221.A N THR 219.A OG1 no hydrogen 3.053 N/A HIS 221.A ND1 GLU 134.A OE1 no hydrogen 2.831 N/A ALA 222.A N HIS 338.A O no hydrogen 2.722 N/A THR 223.A OG1 ASN 220.A O no hydrogen 2.683 N/A ASP 224.A N LEU 339.A O no hydrogen 2.851 N/A MET 225.A N THR 223.A OG1 no hydrogen 3.308 N/A LEU 227.A N ASP 224.A O no hydrogen 3.165 N/A ILE 228.A N SER 241.A O no hydrogen 2.831 N/A GLY 229.A N GLU 232.A OE2 no hydrogen 2.773 N/A GLU 232.A N GLY 229.A O no hydrogen 3.266 N/A GLU 237.A N TYR 242.A OH no hydrogen 2.846 N/A ASN 238.A ND2 ASP 304.A OD1 no hydrogen 2.903 N/A TYR 239.A N MET 301.A O no hydrogen 2.832 N/A ARG 240.A NE TYR 239.A O no hydrogen 3.273 N/A ARG 240.A NH1 GLU 237.A OE1 no hydrogen 3.202 N/A SER 241.A OG HIS 226.A ND1 no hydrogen 3.382 N/A SER 241.A OG SER 300.A OG no hydrogen 2.931 N/A TYR 242.A N GLY 299.A O no hydrogen 2.903 N/A TYR 242.A OH GLU 237.A O no hydrogen 3.222 N/A ARG 243.A N ILE 228.A O no hydrogen 3.259 N/A ARG 243.A NH1 GLU 231.A OE2 no hydrogen 3.478 N/A ARG 243.A NH1 GLU 296.A OE2 no hydrogen 3.189 N/A ARG 243.A NH2 GLU 231.A OE1 no hydrogen 3.338 N/A ARG 243.A NH2 GLU 231.A OE2 no hydrogen 3.298 N/A LEU 244.A N VAL 297.A O no hydrogen 2.988 N/A ARG 245.A N GLU 230.A OE2 no hydrogen 2.885 N/A GLY 246.A N VAL 295.A O no hydrogen 2.853 N/A ARG 247.A N ASP 265.A O no hydrogen 3.060 N/A VAL 248.A N ASP 293.A O no hydrogen 2.889 N/A THR 249.A N GLU 263.A O no hydrogen 2.914 N/A THR 249.A OG1 GLU 263.A O no hydrogen 3.501 N/A TYR 253.A N PHE 261.A O no hydrogen 3.099 N/A ILE 255.A N HIS 259.A O no hydrogen 2.920 N/A GLY 258.A N ILE 255.A O no hydrogen 3.178 N/A VAL 260.A N ALA 275.A O no hydrogen 3.017 N/A PHE 261.A N TYR 253.A O no hydrogen 3.066 N/A PHE 262.A N CYS 273.A O no hydrogen 3.222 N/A GLU 263.A N LEU 250.A O no hydrogen 3.205 N/A ILE 264.A N VAL 271.A O no hydrogen 2.856 N/A ASP 265.A N ARG 247.A O no hydrogen 2.723 N/A THR 266.A N GLY 269.A O no hydrogen 2.820 N/A THR 266.A OG1 GLY 269.A O no hydrogen 2.864 N/A LYS 267.A NZ GLU 230.A O no hydrogen 2.942 N/A PHE 268.A N THR 266.A OG1 no hydrogen 3.099 N/A GLY 269.A N THR 266.A O no hydrogen 2.749 N/A VAL 271.A N ILE 264.A O no hydrogen 2.764 N/A CYS 273.A N PHE 262.A O no hydrogen 2.833 N/A ALA 274.A N ILE 306.A O no hydrogen 2.888 N/A ALA 275.A N VAL 260.A O no hydrogen 2.849 N/A GLU 277.A N HIS 259.A ND1 no hydrogen 2.858 N/A THR 279.A N PHE 276.A O no hydrogen 2.887 N/A THR 279.A OG1 PHE 276.A O no hydrogen 2.642 N/A LYS 280.A N GLU 277.A O no hydrogen 3.080 N/A LYS 280.A NZ GLU 277.A OE1 no hydrogen 2.658 N/A PHE 282.A N THR 279.A O no hydrogen 3.115 N/A ARG 283.A N LYS 280.A O no hydrogen 2.933 N/A ARG 283.A NE GLY 258.A O no hydrogen 2.792 N/A ARG 283.A NH1 LYS 280.A O no hydrogen 3.531 N/A ARG 283.A NH2 GLY 258.A O no hydrogen 2.877 N/A ASN 284.A N GLN 281.A O no hydrogen 2.746 N/A ILE 286.A N PHE 282.A O no hydrogen 3.248 N/A ARG 287.A N ARG 283.A O no hydrogen 2.803 N/A ARG 287.A NE ASP 254.A OD1 no hydrogen 3.178 N/A ARG 287.A NE ASP 254.A OD2 no hydrogen 2.828 N/A ARG 287.A NH2 ASP 254.A OD2 no hydrogen 2.710 N/A LEU 288.A N VAL 285.A O no hydrogen 3.001 N/A LEU 289.A N ILE 286.A O no hydrogen 3.066 N/A ARG 290.A N ASP 293.A OD2 no hydrogen 2.622 N/A ARG 290.A NH2 ARG 287.A O no hydrogen 3.206 N/A ARG 290.A NH2 LEU 289.A O no hydrogen 2.542 N/A LYS 291.A N GLU 251.A OE2 no hydrogen 2.598 N/A GLY 292.A N VAL 248.A O no hydrogen 2.974 N/A ASP 293.A N ARG 290.A O no hydrogen 2.975 N/A VAL 294.A N GLU 315.A O no hydrogen 2.842 N/A VAL 295.A N GLY 246.A O no hydrogen 2.816 N/A GLU 296.A N GLN 312.A O no hydrogen 3.042 N/A VAL 297.A N LEU 244.A O no hydrogen 2.740 N/A TYR 298.A N LYS 310.A O no hydrogen 3.076 N/A GLY 299.A N TYR 242.A O no hydrogen 3.043 N/A SER 300.A OG SER 241.A OG no hydrogen 2.931 N/A MET 301.A N ARG 240.A O no hydrogen 2.851 N/A LYS 302.A N THR 305.A O no hydrogen 3.127 N/A LYS 302.A NZ THR 39.A O no hydrogen 3.275 N/A ASP 304.A N ASN 238.A OD1 no hydrogen 2.685 N/A THR 305.A N LYS 302.A O no hydrogen 2.946 N/A THR 305.A OG1 LYS 303.A O no hydrogen 3.330 N/A ILE 306.A N LYS 272.A O no hydrogen 2.825 N/A ASN 307.A N SER 300.A O no hydrogen 2.766 N/A ASN 307.A ND2 LEU 308.A O no hydrogen 3.456 N/A LEU 308.A N ALA 274.A O no hydrogen 3.163 N/A GLU 309.A N TYR 298.A O no hydrogen 2.910 N/A LYS 310.A NZ ASP 224.A OD2 no hydrogen 2.987 N/A LYS 310.A NZ LYS 341.A O no hydrogen 3.100 N/A ILE 311.A N TYR 329.A O no hydrogen 2.902 N/A GLN 312.A N GLU 296.A O no hydrogen 3.008 N/A ILE 313.A N GLY 327.A O no hydrogen 2.978 N/A VAL 314.A N VAL 294.A O no hydrogen 2.964 N/A GLU 315.A N VAL 294.A O no hydrogen 3.211 N/A ALA 317.A N ASP 293.A OD1 no hydrogen 2.623 N/A ARG 322.A NH1 ASP 293.A OD1 no hydrogen 2.691 N/A ARG 322.A NH2 LEU 288.A O no hydrogen 3.278 N/A ARG 322.A NH2 ASP 293.A OD1 no hydrogen 3.089 N/A ARG 322.A NH2 ASP 293.A OD2 no hydrogen 2.565 N/A GLN 325.A NE2 GLU 323.A O no hydrogen 2.862 N/A GLY 327.A N ILE 313.A O no hydrogen 3.048 N/A PHE 328.A N GLY 350.A O no hydrogen 2.613 N/A TYR 329.A N ILE 311.A O no hydrogen 2.854 N/A TYR 329.A OH GLN 325.A O no hydrogen 2.521 N/A VAL 331.A N GLU 309.A O no hydrogen 3.245 N/A SER 334.A N ASP 171.A OD2 no hydrogen 3.085 N/A SER 334.A OG ASP 171.A OD2 no hydrogen 2.796 N/A ALA 335.A N PRO 332.A O no hydrogen 2.918 N/A ARG 336.A N PRO 333.A O no hydrogen 3.143 N/A ARG 336.A NH1 ASP 168.A OD1 no hydrogen 2.823 N/A SER 340.A N ARG 337.A O no hydrogen 3.030 N/A SER 340.A OG GLU 309.A OE1 no hydrogen 2.589 N/A LYS 341.A N ASP 224.A OD1 no hydrogen 3.114 N/A LEU 343.A N GLU 330.A OE1 no hydrogen 2.704 N/A ARG 345.A N PRO 342.A O no hydrogen 2.835 N/A ARG 345.A NE GLU 194.A OE2 no hydrogen 2.576 N/A ARG 345.A NH1 ASP 130.A OD2 no hydrogen 2.920 N/A ARG 345.A NH1 ALA 222.A O no hydrogen 3.090 N/A ARG 345.A NH2 ASP 130.A OD1 no hydrogen 3.319 N/A ARG 345.A NH2 GLU 194.A OE1 no hydrogen 3.515 N/A ARG 345.A NH2 GLU 194.A OE2 no hydrogen 3.423 N/A MET 346.A N LEU 343.A O no hydrogen 3.049 N/A VAL 348.A N MET 346.A O no hydrogen 2.952 N/A ARG 351.A NH1 LEU 343.A O no hydrogen 2.797 N/A HIS 352.A N PHE 328.A O no hydrogen 2.882 N/A HIS 352.A ND1 PHE 328.A O no hydrogen 3.030 N/A ARG 355.A NH2 ASP 159.A OD1 no hydrogen 2.888 N/A