Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u8x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N PRO 88.A O no hydrogen 2.452 N/A VAL 4.A N GLY 15.A O no hydrogen 3.103 N/A CYS 5.A N LEU 90.A O no hydrogen 3.084 N/A ASP 6.A N LYS 13.A O no hydrogen 2.692 N/A ASN 7.A N THR 92.A OG1 no hydrogen 3.222 N/A GLY 8.A N ASP 6.A O no hydrogen 3.030 N/A SER 9.A OG ILE 57.A O no hydrogen 2.869 N/A VAL 12.A N PHE 26.A O no hydrogen 2.761 N/A LYS 13.A N ASP 6.A O no hydrogen 3.065 N/A LYS 13.A NZ LEU 11.A O no hydrogen 3.457 N/A ALA 14.A N ALA 24.A O no hydrogen 3.097 N/A ALA 17.A N ALA 2.A O no hydrogen 2.868 N/A GLY 18.A N SER 330.A O no hydrogen 3.393 N/A GLY 18.A N SER 330.A OG no hydrogen 3.116 N/A ASP 19.A N PHE 16.A O no hydrogen 3.099 N/A ALA 24.A N ALA 14.A O no hydrogen 3.178 N/A PHE 26.A N VAL 12.A O no hydrogen 3.180 N/A SER 28.A N GLY 10.A O no hydrogen 2.745 N/A SER 28.A OG GLY 8.A O no hydrogen 2.907 N/A ILE 29.A N PRO 27.A O no hydrogen 2.908 N/A VAL 30.A N LYS 54.A O no hydrogen 2.841 N/A GLY 31.A N TYR 39.A O no hydrogen 2.892 N/A ARG 32.A N THR 52.A O no hydrogen 3.054 N/A ARG 34.A NH1 GLY 49.A O no hydrogen 3.493 N/A TYR 39.A N GLY 31.A O no hydrogen 3.090 N/A GLY 41.A N ILE 29.A O no hydrogen 3.260 N/A GLN 45.A N ASP 42.A O no hydrogen 2.805 N/A SER 46.A N ASP 42.A O no hydrogen 2.807 N/A ARG 48.A N GLN 45.A O no hydrogen 2.918 N/A THR 52.A N ARG 32.A O no hydrogen 2.656 N/A LYS 54.A N VAL 30.A O no hydrogen 2.522 N/A GLU 58.A N TYR 55.A O no hydrogen 3.401 N/A GLY 60.A N ILE 57.A O no hydrogen 2.673 N/A THR 63.A N PRO 56.A O no hydrogen 2.692 N/A ASP 67.A N ASN 64.A OD1 no hydrogen 3.106 N/A MET 68.A N ASN 64.A O no hydrogen 3.130 N/A GLU 69.A N TRP 65.A O no hydrogen 2.749 N/A LYS 70.A N ASP 66.A O no hydrogen 3.126 N/A ILE 71.A N ASP 67.A O no hydrogen 2.960 N/A TRP 72.A N MET 68.A O no hydrogen 2.866 N/A HIS 73.A N GLU 69.A O no hydrogen 2.782 N/A HIS 74.A N LYS 70.A O no hydrogen 2.810 N/A THR 75.A N ILE 71.A O no hydrogen 2.862 N/A THR 75.A OG1 ILE 71.A O no hydrogen 2.548 N/A PHE 76.A N TRP 72.A O no hydrogen 2.675 N/A TYR 77.A N HIS 73.A O no hydrogen 2.863 N/A ASN 78.A N HIS 74.A O no hydrogen 2.936 N/A GLU 79.A N HIS 74.A O no hydrogen 3.173 N/A LEU 80.A N THR 75.A O no hydrogen 2.915 N/A VAL 82.A N PHE 76.A O no hydrogen 2.727 N/A GLU 85.A N GLU 85.A OE1 no hydrogen 2.833 N/A GLU 86.A N ALA 83.A O no hydrogen 2.844 N/A HIS 87.A N PRO 84.A O no hydrogen 3.427 N/A HIS 87.A ND1 ALA 83.A O no hydrogen 3.098 N/A THR 89.A N ALA 117.A O no hydrogen 3.298 N/A THR 89.A OG1 HIS 87.A O no hydrogen 3.402 N/A LEU 90.A N LEU 3.A O no hydrogen 2.770 N/A LEU 91.A N TYR 119.A O no hydrogen 2.803 N/A THR 92.A N CYS 5.A O no hydrogen 3.240 N/A THR 92.A OG1 ASP 6.A OD1 no hydrogen 2.902 N/A GLU 93.A N ALA 121.A O no hydrogen 2.819 N/A ASN 97.A ND2 GLU 93.A OE1 no hydrogen 2.832 N/A ARG 102.A N PRO 98.A O no hydrogen 3.123 N/A ARG 102.A NE GLU 93.A OE1 no hydrogen 3.020 N/A ARG 102.A NE GLU 93.A OE2 no hydrogen 2.903 N/A ARG 102.A NH2 GLU 93.A OE2 no hydrogen 2.794 N/A GLU 103.A N LYS 99.A O no hydrogen 3.002 N/A LYS 104.A N ALA 100.A O no hydrogen 2.955 N/A MET 105.A N ASN 101.A O no hydrogen 3.024 N/A THR 106.A N ARG 102.A O no hydrogen 3.107 N/A THR 106.A OG1 ARG 102.A O no hydrogen 3.043 N/A GLN 107.A N GLU 103.A O no hydrogen 2.718 N/A GLN 107.A NE2 GLU 111.A OE1 no hydrogen 3.400 N/A ILE 108.A N LYS 104.A O no hydrogen 2.864 N/A MET 109.A N MET 105.A O no hydrogen 3.038 N/A PHE 110.A N THR 106.A O no hydrogen 3.109 N/A GLU 111.A N GLN 107.A O no hydrogen 2.752 N/A THR 112.A N ILE 108.A O no hydrogen 2.804 N/A PHE 113.A N ILE 108.A O no hydrogen 3.236 N/A PHE 113.A N MET 109.A O no hydrogen 3.156 N/A VAL 115.A N MET 109.A O no hydrogen 3.387 N/A MET 118.A N ILE 343.A O no hydrogen 2.955 N/A ALA 121.A N LEU 91.A O no hydrogen 2.757 N/A GLN 123.A N GLU 93.A O no hydrogen 3.084 N/A GLN 123.A NE2 THR 92.A OG1 no hydrogen 3.162 N/A LEU 126.A N ILE 122.A O no hydrogen 3.002 N/A SER 127.A N GLN 123.A O no hydrogen 3.058 N/A LEU 128.A N ALA 124.A O no hydrogen 2.990 N/A TYR 129.A N VAL 125.A O no hydrogen 3.041 N/A TYR 129.A OH GLY 154.A O no hydrogen 3.121 N/A ALA 130.A N LEU 126.A O no hydrogen 2.757 N/A SER 131.A N SER 127.A O no hydrogen 3.250 N/A SER 131.A N LEU 128.A O no hydrogen 3.221 N/A SER 131.A OG LEU 128.A O no hydrogen 3.052 N/A GLY 132.A N TYR 129.A O no hydrogen 2.718 N/A ARG 133.A N LEU 128.A O no hydrogen 3.264 N/A ARG 133.A NE ASN 282.A OD1 no hydrogen 2.629 N/A ARG 133.A NH1 SER 131.A OG no hydrogen 3.207 N/A GLY 136.A N ILE 151.A O no hydrogen 3.089 N/A ILE 137.A N ASN 282.A O no hydrogen 2.816 N/A VAL 138.A N VAL 149.A O no hydrogen 2.675 N/A LEU 139.A N VAL 284.A O no hydrogen 2.831 N/A ASP 140.A N HIS 147.A O no hydrogen 2.811 N/A SER 141.A N SER 286.A O no hydrogen 3.029 N/A SER 141.A OG THR 146.A OG1 no hydrogen 3.003 N/A GLY 142.A N VAL 145.A O no hydrogen 3.179 N/A THR 146.A N LEU 164.A O no hydrogen 2.978 N/A THR 146.A OG1 SER 141.A OG no hydrogen 3.003 N/A THR 146.A OG1 LEU 166.A O no hydrogen 2.589 N/A HIS 147.A N ASP 140.A O no hydrogen 2.987 N/A ASN 148.A N MET 162.A O no hydrogen 2.840 N/A VAL 149.A N VAL 138.A O no hydrogen 2.934 N/A ILE 151.A N GLY 136.A O no hydrogen 2.770 N/A TYR 152.A N TYR 155.A O no hydrogen 3.143 N/A GLU 153.A N THR 135.A OG1 no hydrogen 2.970 N/A GLY 154.A N THR 134.A O no hydrogen 2.565 N/A TYR 155.A N TYR 152.A O no hydrogen 2.729 N/A LEU 157.A N PRO 150.A O no hydrogen 3.154 N/A ALA 160.A N LEU 157.A O no hydrogen 2.928 N/A ILE 161.A N PRO 158.A O no hydrogen 3.237 N/A MET 162.A N ASN 148.A O no hydrogen 2.944 N/A ARG 163.A NE ASP 165.A OD1 no hydrogen 2.763 N/A ARG 163.A NH2 ASP 165.A OD2 no hydrogen 2.494 N/A LEU 164.A N THR 146.A O no hydrogen 2.808 N/A ALA 167.A N ASP 170.A OD2 no hydrogen 2.627 N/A GLY 168.A N GLY 142.A O no hydrogen 2.975 N/A ARG 169.A N ASP 143.A O no hydrogen 2.889 N/A LEU 171.A N ALA 167.A O no hydrogen 3.105 N/A THR 172.A N GLY 168.A O no hydrogen 3.117 N/A THR 172.A OG1 GLY 168.A O no hydrogen 2.971 N/A ASP 173.A N ARG 169.A O no hydrogen 2.938 N/A TYR 174.A N ASP 170.A O no hydrogen 3.098 N/A TYR 174.A N LEU 171.A O no hydrogen 2.970 N/A LEU 175.A N LEU 171.A O no hydrogen 2.937 N/A MET 176.A N THR 172.A O no hydrogen 2.801 N/A LYS 177.A N ASP 173.A O no hydrogen 2.748 N/A ILE 178.A N TYR 174.A O no hydrogen 2.810 N/A LEU 179.A N LEU 175.A O no hydrogen 2.974 N/A THR 180.A N MET 176.A O no hydrogen 2.966 N/A THR 180.A OG1 MET 176.A O no hydrogen 2.824 N/A THR 180.A OG1 TYR 184.A O no hydrogen 3.419 N/A GLU 181.A N LYS 177.A O no hydrogen 2.842 N/A ARG 182.A N ILE 178.A O no hydrogen 3.090 N/A ARG 182.A N LEU 179.A O no hydrogen 3.028 N/A ARG 182.A NH1 THR 235.A O no hydrogen 2.558 N/A ARG 182.A NH1 GLU 239.A OE2 no hydrogen 2.931 N/A ARG 182.A NH2 THR 235.A O no hydrogen 3.290 N/A GLY 183.A N THR 180.A O no hydrogen 3.124 N/A TYR 184.A N LEU 179.A O no hydrogen 3.161 N/A VAL 187.A N GLU 191.A OE1 no hydrogen 2.887 N/A THR 188.A OG1 GLU 191.A OE1 no hydrogen 2.850 N/A GLU 191.A N THR 188.A O no hydrogen 3.102 N/A ARG 192.A N THR 188.A O no hydrogen 2.870 N/A VAL 195.A N GLU 191.A O no hydrogen 3.227 N/A ARG 196.A N ARG 192.A O no hydrogen 2.848 N/A ASP 197.A N GLU 193.A O no hydrogen 3.179 N/A ILE 198.A N ILE 194.A O no hydrogen 2.836 N/A LYS 199.A N VAL 195.A O no hydrogen 2.790 N/A LYS 199.A NZ GLY 168.A O no hydrogen 2.505 N/A LYS 199.A NZ THR 172.A OG1 no hydrogen 2.863 N/A GLU 200.A N ARG 196.A O no hydrogen 2.809 N/A LYS 201.A N ASP 197.A O no hydrogen 2.803 N/A LYS 201.A N ILE 198.A O no hydrogen 3.336 N/A LYS 201.A NZ ASP 197.A OD1 no hydrogen 2.459 N/A LEU 202.A N ILE 198.A O no hydrogen 3.065 N/A CYS 203.A N LYS 199.A O no hydrogen 3.360 N/A TYR 204.A N ARG 240.A O no hydrogen 2.892 N/A TYR 204.A OH GLU 212.A OE1 no hydrogen 2.547 N/A VAL 205.A N PRO 293.A O no hydrogen 2.535 N/A ASN 211.A N ASP 208.A OD1 no hydrogen 3.174 N/A GLU 212.A N ASP 208.A O no hydrogen 2.767 N/A MET 213.A N PHE 209.A O no hydrogen 2.888 N/A ALA 214.A N GLU 210.A O no hydrogen 3.024 N/A THR 215.A N ASN 211.A O no hydrogen 3.261 N/A ALA 216.A N GLU 212.A O no hydrogen 3.072 N/A ALA 217.A N MET 213.A O no hydrogen 3.027 N/A SER 218.A N THR 215.A O no hydrogen 3.105 N/A SER 218.A OG ALA 214.A O no hydrogen 3.311 N/A SER 218.A OG THR 215.A O no hydrogen 3.512 N/A SER 219.A N THR 215.A O no hydrogen 3.220 N/A SER 219.A OG SER 221.A OG no hydrogen 3.395 N/A SER 221.A N SER 219.A OG no hydrogen 3.263 N/A SER 221.A OG SER 219.A OG no hydrogen 3.395 N/A GLU 223.A N SER 220.A O no hydrogen 3.073 N/A LYS 224.A N ILE 236.A O no hydrogen 2.708 N/A TYR 226.A N ILE 234.A O no hydrogen 2.886 N/A TYR 226.A OH ASP 197.A OD2 no hydrogen 2.266 N/A LEU 228.A N GLN 232.A O no hydrogen 2.799 N/A ILE 234.A N TYR 226.A O no hydrogen 2.897 N/A ILE 236.A N LYS 224.A O no hydrogen 2.715 N/A GLY 237.A N GLU 239.A OE1 no hydrogen 2.990 N/A GLU 239.A N GLU 239.A OE1 no hydrogen 2.888 N/A ARG 240.A N GLY 237.A O no hydrogen 3.231 N/A ARG 240.A NE LEU 202.A O no hydrogen 2.761 N/A ARG 240.A NH1 LEU 222.A O no hydrogen 3.016 N/A ARG 240.A NH2 LEU 202.A O no hydrogen 3.346 N/A PHE 241.A N ASN 238.A O no hydrogen 2.998 N/A ARG 242.A N ASN 238.A O no hydrogen 2.892 N/A ARG 242.A NH1 ASN 238.A OD1 no hydrogen 3.124 N/A CYS 243.A N GLU 239.A O no hydrogen 3.084 N/A CYS 243.A SG LEU 171.A O no hydrogen 3.582 N/A GLU 245.A N PHE 241.A O no hydrogen 3.074 N/A GLU 245.A N ARG 242.A O no hydrogen 3.125 N/A THR 246.A N CYS 243.A O no hydrogen 3.171 N/A THR 246.A OG1 ARG 242.A O no hydrogen 3.501 N/A THR 246.A OG1 CYS 243.A O no hydrogen 2.679 N/A LEU 247.A N PRO 244.A O no hydrogen 3.287 N/A PHE 248.A N GLU 245.A O no hydrogen 2.840 N/A GLN 249.A N GLU 245.A O no hydrogen 2.779 N/A GLN 249.A NE2 GLU 245.A OE2 no hydrogen 2.858 N/A PHE 252.A N GLN 249.A O no hydrogen 2.910 N/A ILE 253.A N PRO 250.A O no hydrogen 3.276 N/A GLY 254.A N SER 251.A O no hydrogen 2.720 N/A MET 255.A N PRO 250.A O no hydrogen 2.935 N/A GLY 259.A N GLU 262.A OE1 no hydrogen 2.565 N/A ILE 260.A N LEU 247.A O no hydrogen 2.817 N/A THR 263.A N GLY 259.A O no hydrogen 2.999 N/A THR 263.A OG1 GLY 259.A O no hydrogen 3.505 N/A THR 263.A OG1 ILE 260.A O no hydrogen 3.213 N/A THR 264.A N ILE 260.A O no hydrogen 2.996 N/A THR 264.A OG1 ASN 148.A OD1 no hydrogen 2.988 N/A THR 264.A OG1 ILE 260.A O no hydrogen 2.676 N/A TYR 265.A N HIS 261.A O no hydrogen 3.059 N/A ASN 266.A N GLU 262.A O no hydrogen 2.733 N/A SER 267.A N THR 263.A O no hydrogen 2.851 N/A SER 267.A OG ALA 160.A O no hydrogen 2.951 N/A ILE 268.A N THR 264.A O no hydrogen 3.143 N/A MET 269.A N TYR 265.A O no hydrogen 3.081 N/A LYS 270.A N SER 267.A O no hydrogen 2.981 N/A CYS 271.A N SER 267.A O no hydrogen 3.367 N/A CYS 271.A N ILE 268.A O no hydrogen 2.967 N/A CYS 271.A SG SER 267.A O no hydrogen 3.274 N/A ASP 274.A N ASP 272.A OD1 no hydrogen 3.363 N/A ILE 275.A N ASP 272.A O no hydrogen 3.307 N/A ARG 276.A N ILE 273.A O no hydrogen 3.239 N/A ARG 276.A NE CYS 271.A O no hydrogen 3.328 N/A ARG 276.A NH2 CYS 271.A O no hydrogen 3.420 N/A ASP 278.A N ILE 275.A O no hydrogen 3.175 N/A LEU 279.A N ILE 275.A O no hydrogen 3.203 N/A TYR 280.A N ARG 276.A O no hydrogen 2.970 N/A ASN 282.A N LEU 279.A O no hydrogen 2.913 N/A ASN 282.A ND2 ASP 278.A O no hydrogen 2.994 N/A ASN 283.A N LYS 314.A O no hydrogen 3.274 N/A VAL 284.A N ILE 137.A O no hydrogen 2.892 N/A MET 285.A N ILE 316.A O no hydrogen 2.868 N/A SER 286.A N LEU 139.A O no hydrogen 2.840 N/A SER 286.A OG LEU 139.A O no hydrogen 3.333 N/A GLY 287.A N ARG 321.A O no hydrogen 2.979 N/A THR 289.A OG1 GLY 142.A O no hydrogen 2.854 N/A THR 290.A N GLY 287.A O no hydrogen 3.011 N/A THR 290.A OG1 GLY 287.A O no hydrogen 2.641 N/A MET 291.A N GLY 288.A O no hydrogen 3.320 N/A ILE 295.A N TYR 292.A O no hydrogen 3.418 N/A ARG 298.A N GLY 294.A O no hydrogen 2.908 N/A ARG 298.A NE GLU 302.A OE2 no hydrogen 2.764 N/A ARG 298.A NH1 ALA 206.A O no hydrogen 2.823 N/A ARG 298.A NH1 GLU 245.A OE1 no hydrogen 2.989 N/A ARG 298.A NH2 GLU 245.A OE2 no hydrogen 2.949 N/A ARG 298.A NH2 GLU 302.A OE2 no hydrogen 3.474 N/A MET 299.A N ILE 295.A O no hydrogen 2.832 N/A GLN 300.A N ALA 296.A O no hydrogen 2.844 N/A GLN 300.A NE2 ILE 313.A O no hydrogen 3.661 N/A LYS 301.A N ASP 297.A O no hydrogen 3.059 N/A GLU 302.A N ARG 298.A O no hydrogen 2.822 N/A ILE 303.A N MET 299.A O no hydrogen 2.978 N/A THR 304.A N GLN 300.A O no hydrogen 2.957 N/A THR 304.A OG1 GLN 300.A O no hydrogen 2.902 N/A ALA 305.A N LYS 301.A O no hydrogen 3.091 N/A LEU 306.A N GLU 302.A O no hydrogen 3.011 N/A ALA 307.A N ILE 303.A O no hydrogen 2.707 N/A MET 311.A N PRO 308.A O no hydrogen 2.925 N/A LYS 314.A N TYR 280.A O no hydrogen 3.030 N/A ILE 316.A N ASN 283.A O no hydrogen 2.744 N/A GLU 320.A N GLU 320.A OE2 no hydrogen 2.975 N/A ARG 321.A N PRO 318.A O no hydrogen 3.111 N/A ARG 321.A NE PRO 318.A O no hydrogen 2.629 N/A ARG 321.A NH1 THR 290.A O no hydrogen 3.140 N/A ARG 321.A NH2 PRO 318.A O no hydrogen 3.101 N/A LYS 322.A NZ TYR 323.A OH no hydrogen 3.373 N/A TYR 323.A N GLU 320.A O no hydrogen 2.683 N/A SER 324.A N ARG 321.A O no hydrogen 3.496 N/A TRP 326.A NE1 VAL 4.A O no hydrogen 2.987 N/A ILE 327.A N TYR 323.A O no hydrogen 2.997 N/A GLY 328.A N SER 324.A O no hydrogen 2.795 N/A GLY 329.A N VAL 325.A O no hydrogen 3.143 N/A SER 330.A N TRP 326.A O no hydrogen 2.924 N/A SER 330.A OG PHE 16.A O no hydrogen 3.356 N/A SER 330.A OG ASP 19.A O no hydrogen 2.949 N/A ILE 331.A N ILE 327.A O no hydrogen 2.844 N/A LEU 332.A N GLY 328.A O no hydrogen 2.950 N/A ALA 333.A N GLY 329.A O no hydrogen 2.699 N/A SER 334.A N ILE 331.A O no hydrogen 2.891 N/A SER 334.A OG SER 330.A O no hydrogen 3.245 N/A SER 334.A OG ILE 331.A O no hydrogen 2.789 N/A LEU 335.A N LEU 332.A O no hydrogen 3.217 N/A PHE 338.A N LEU 335.A O no hydrogen 3.012 N/A GLN 339.A N SER 336.A O no hydrogen 3.169 N/A MET 341.A N PHE 338.A O no hydrogen 2.781 N/A ILE 343.A N MET 118.A O no hydrogen 2.765 N/A LYS 345.A N PRO 116.A O no hydrogen 2.902 N/A LYS 345.A NZ ASN 114.A OD1 no hydrogen 2.970 N/A GLU 347.A N THR 344.A O no hydrogen 2.604 N/A TYR 348.A N THR 344.A O no hydrogen 2.974 N/A TYR 348.A OH GLU 111.A OE2 no hydrogen 2.362 N/A ASP 349.A N LYS 345.A O no hydrogen 3.041 N/A GLU 350.A N GLN 346.A O no hydrogen 3.137 N/A ALA 351.A N GLU 347.A O no hydrogen 2.876 N/A GLY 352.A N TYR 348.A O no hydrogen 2.745 N/A ILE 355.A N GLY 352.A O no hydrogen 3.034 N/A VAL 356.A N PRO 353.A O no hydrogen 3.302 N/A HIS 357.A N SER 354.A O no hydrogen 3.237 N/A