Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3d0q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N ASP 111.A OD2 no hydrogen 3.091 N/A ARG 2.A NE TYR 108.A O no hydrogen 3.022 N/A ARG 2.A NE ARG 109.A O no hydrogen 3.302 N/A VAL 3.A N ASP 30.A O no hydrogen 2.781 N/A LEU 4.A N LEU 112.A O no hydrogen 3.014 N/A PHE 5.A N LEU 32.A O no hydrogen 2.757 N/A VAL 6.A N VAL 114.A O no hydrogen 2.770 N/A SER 7.A N ALA 34.A O no hydrogen 3.021 N/A SER 7.A OG SER 8.A O no hydrogen 3.427 N/A SER 8.A N GLU 116.A OE2 no hydrogen 2.782 N/A SER 8.A OG HIS 13.A ND1 no hydrogen 3.250 N/A SER 8.A OG GLU 116.A OE2 no hydrogen 2.491 N/A SER 8.A OG GLY 118.A O no hydrogen 3.357 N/A GLY 10.A N GLU 37.A OE1 no hydrogen 2.998 N/A HIS 13.A N GLY 10.A O no hydrogen 3.219 N/A HIS 13.A ND1 SER 8.A O no hydrogen 2.996 N/A LEU 17.A N LEU 14.A O no hydrogen 2.742 N/A ILE 18.A N PHE 15.A O no hydrogen 2.968 N/A GLN 19.A NE2 VAL 190.A O no hydrogen 2.980 N/A GLN 19.A NE2 PRO 191.A O no hydrogen 3.679 N/A ALA 21.A N LEU 17.A O no hydrogen 2.993 N/A TRP 22.A N ILE 18.A O no hydrogen 2.823 N/A TRP 22.A NE1 ALA 45.A O no hydrogen 2.803 N/A GLY 23.A N GLN 19.A O no hydrogen 2.833 N/A PHE 24.A N LEU 20.A O no hydrogen 2.919 N/A ARG 25.A N ALA 21.A O no hydrogen 2.927 N/A ARG 25.A NH1 HIS 29.A O no hydrogen 2.905 N/A THR 26.A N TRP 22.A O no hydrogen 2.855 N/A THR 26.A OG1 TRP 22.A O no hydrogen 2.602 N/A THR 26.A OG1 GLY 23.A O no hydrogen 3.164 N/A ALA 27.A N GLY 23.A O no hydrogen 3.244 N/A ALA 27.A N PHE 24.A O no hydrogen 3.125 N/A GLY 28.A N ARG 25.A O no hydrogen 2.884 N/A HIS 29.A N PHE 24.A O no hydrogen 3.058 N/A LEU 32.A N VAL 3.A O no hydrogen 3.033 N/A ILE 33.A N GLU 48.A O no hydrogen 2.982 N/A ALA 34.A N PHE 5.A O no hydrogen 2.601 N/A VAL 35.A N VAL 50.A O no hydrogen 3.223 N/A ARG 41.A N HIS 38.A O no hydrogen 3.231 N/A ALA 43.A N ALA 39.A O no hydrogen 3.068 N/A ALA 44.A N ASP 40.A O no hydrogen 2.971 N/A ALA 45.A N ALA 42.A O no hydrogen 3.302 N/A GLY 46.A N ALA 43.A O no hydrogen 2.797 N/A VAL 50.A N ILE 33.A O no hydrogen 2.974 N/A VAL 52.A N VAL 35.A O no hydrogen 3.027 N/A ALA 53.A N ASP 51.A OD1 no hydrogen 3.020 N/A TYR 56.A N ALA 53.A O no hydrogen 3.100 N/A VAL 59.A N SER 57.A OG no hydrogen 3.155 N/A LYS 60.A N SER 57.A OG no hydrogen 3.106 N/A VAL 61.A N SER 57.A O no hydrogen 2.940 N/A PHE 62.A N ALA 58.A O no hydrogen 3.018 N/A GLU 63.A N VAL 59.A O no hydrogen 3.100 N/A GLN 64.A N LYS 60.A O no hydrogen 3.022 N/A VAL 65.A N VAL 61.A O no hydrogen 3.151 N/A ALA 66.A N PHE 62.A O no hydrogen 2.934 N/A LYS 67.A N GLN 64.A O no hydrogen 3.390 N/A ASP 68.A N GLN 64.A O no hydrogen 3.052 N/A ASN 69.A N VAL 65.A O no hydrogen 2.786 N/A PHE 72.A N ASN 69.A O no hydrogen 3.103 N/A THR 75.A N ARG 71.A O no hydrogen 3.084 N/A THR 75.A OG1 ARG 71.A O no hydrogen 2.739 N/A ALA 77.A N PHE 72.A O no hydrogen 3.206 N/A THR 78.A N THR 75.A O no hydrogen 2.769 N/A THR 78.A OG1 GLU 74.A O no hydrogen 2.922 N/A THR 78.A OG1 THR 75.A O no hydrogen 2.649 N/A ARG 79.A N VAL 76.A O no hydrogen 3.316 N/A ARG 79.A NH2 GLU 86.A OE1 no hydrogen 3.174 N/A ALA 81.A N GLN 305.A O no hydrogen 2.816 N/A GLU 85.A N ASP 83.A OD2 no hydrogen 3.236 N/A TRP 87.A N LEU 84.A O no hydrogen 2.719 N/A GLY 88.A N GLU 85.A O no hydrogen 3.004 N/A GLN 90.A N TRP 87.A O no hydrogen 2.786 N/A ILE 91.A N TRP 87.A O no hydrogen 2.991 N/A ALA 92.A N GLY 88.A O no hydrogen 2.847 N/A ALA 93.A N VAL 89.A O no hydrogen 3.204 N/A VAL 94.A N GLN 90.A O no hydrogen 2.911 N/A ASN 95.A N ILE 91.A O no hydrogen 2.896 N/A ASN 95.A ND2 ILE 91.A O no hydrogen 2.935 N/A ASN 95.A ND2 GLY 118.A O no hydrogen 3.054 N/A ARG 96.A N ALA 92.A O no hydrogen 2.806 N/A ARG 96.A NH1 ASP 155.A OD2 no hydrogen 3.107 N/A ARG 96.A NH2 PHE 152.A O no hydrogen 3.146 N/A ARG 96.A NH2 ASP 155.A OD1 no hydrogen 3.168 N/A LEU 98.A N ASN 95.A O no hydrogen 2.950 N/A VAL 99.A N ARG 96.A O no hydrogen 3.131 N/A THR 102.A N LEU 98.A O no hydrogen 2.978 N/A THR 102.A OG1 LEU 98.A O no hydrogen 2.790 N/A LEU 104.A N GLY 101.A O no hydrogen 2.887 N/A VAL 105.A N THR 102.A O no hydrogen 2.921 N/A ASP 107.A N ALA 103.A O no hydrogen 3.120 N/A TYR 108.A N LEU 104.A O no hydrogen 2.810 N/A TYR 108.A OH VAL 3.A O no hydrogen 3.214 N/A ARG 109.A N VAL 105.A O no hydrogen 3.009 N/A ASP 111.A N ARG 2.A O no hydrogen 2.625 N/A VAL 113.A N PRO 132.A O no hydrogen 3.117 N/A VAL 114.A N LEU 4.A O no hydrogen 2.835 N/A TYR 115.A N VAL 134.A O no hydrogen 3.078 N/A TYR 115.A OH GLN 135.A OE1 no hydrogen 2.843 N/A GLU 116.A N VAL 6.A O no hydrogen 3.138 N/A GLN 117.A N ARG 136.A O no hydrogen 2.968 N/A GLN 117.A NE2 TRP 141.A O no hydrogen 3.260 N/A GLN 117.A NE2 THR 143.A OG1 no hydrogen 2.962 N/A GLY 118.A N GLU 116.A OE1 no hydrogen 2.665 N/A ALA 119.A N GLU 116.A O no hydrogen 2.908 N/A THR 120.A OG1 HIS 146.A ND1 no hydrogen 3.094 N/A VAL 121.A N ASN 95.A OD1 no hydrogen 2.894 N/A GLY 122.A N ALA 119.A O no hydrogen 2.847 N/A LEU 124.A N THR 120.A O no hydrogen 3.171 N/A ALA 125.A N VAL 121.A O no hydrogen 2.774 N/A ALA 126.A N GLY 122.A O no hydrogen 2.970 N/A ASP 127.A N LEU 123.A O no hydrogen 3.143 N/A ARG 128.A N LEU 124.A O no hydrogen 2.868 N/A ARG 128.A NE ASP 106.A OD1 no hydrogen 3.159 N/A ARG 128.A NH1 ASP 106.A OD2 no hydrogen 2.927 N/A ALA 129.A N ALA 125.A O no hydrogen 3.132 N/A GLY 130.A N ASP 127.A O no hydrogen 2.940 N/A VAL 131.A N ALA 126.A O no hydrogen 2.857 N/A VAL 134.A N VAL 113.A O no hydrogen 2.872 N/A GLN 135.A N ALA 168.A O no hydrogen 2.869 N/A GLN 135.A NE2 ASN 137.A OD1 no hydrogen 3.026 N/A GLN 135.A NE2 THR 143.A OG1 no hydrogen 2.893 N/A ARG 136.A N TYR 115.A O no hydrogen 2.885 N/A ARG 136.A NE PRO 16.A O no hydrogen 2.851 N/A ARG 136.A NH1 ILE 170.A O no hydrogen 3.453 N/A ARG 136.A NH1 GLU 171.A O no hydrogen 2.979 N/A ASN 137.A N ILE 170.A O no hydrogen 3.004 N/A ASN 137.A ND2 GLU 171.A OE1 no hydrogen 2.951 N/A ASN 137.A ND2 GLU 182.A OE2 no hydrogen 2.821 N/A GLN 138.A NE2 ILE 11.A O no hydrogen 3.338 N/A ALA 140.A N SER 139.A OG no hydrogen 2.347 N/A ARG 142.A NE ALA 140.A O no hydrogen 2.775 N/A ARG 142.A NH1 TRP 141.A O no hydrogen 2.982 N/A ARG 142.A NH1 GLU 171.A OE1 no hydrogen 3.020 N/A ARG 142.A NH1 GLU 171.A OE2 no hydrogen 3.191 N/A ARG 142.A NH2 GLU 171.A OE2 no hydrogen 2.723 N/A ARG 142.A NH2 GLU 180.A O no hydrogen 2.909 N/A THR 143.A N GLU 182.A OE1 no hydrogen 3.378 N/A THR 143.A OG1 GLU 182.A OE1 no hydrogen 3.230 N/A THR 143.A OG1 GLU 182.A OE2 no hydrogen 2.393 N/A HIS 146.A ND1 THR 120.A OG1 no hydrogen 3.094 N/A HIS 146.A NE2 GLN 135.A OE1 no hydrogen 3.075 N/A SER 148.A N GLY 145.A O no hydrogen 3.160 N/A SER 148.A OG GLU 85.A OE2 no hydrogen 2.674 N/A SER 148.A OG GLY 145.A O no hydrogen 3.469 N/A ALA 150.A N HIS 146.A O no hydrogen 2.792 N/A SER 151.A N ARG 147.A O no hydrogen 3.033 N/A SER 151.A OG SER 148.A O no hydrogen 2.758 N/A PHE 152.A N ILE 149.A O no hydrogen 2.949 N/A LEU 153.A N ALA 150.A O no hydrogen 2.856 N/A LYS 158.A N ASP 155.A O no hydrogen 3.170 N/A LYS 158.A NZ ASP 100.A OD1 no hydrogen 2.801 N/A LYS 158.A NZ ASP 100.A OD2 no hydrogen 2.954 N/A HIS 159.A N LEU 156.A O no hydrogen 3.236 N/A HIS 159.A NE2 ASP 100.A OD1 no hydrogen 2.936 N/A GLN 160.A N ASP 157.A O no hydrogen 3.193 N/A GLN 160.A NE2 ASP 157.A O no hydrogen 3.143 N/A SER 162.A N ASP 127.A OD2 no hydrogen 2.818 N/A VAL 167.A N ALA 133.A O no hydrogen 2.752 N/A THR 169.A N GLU 184.A O no hydrogen 2.923 N/A ILE 170.A N GLN 135.A O no hydrogen 2.771 N/A GLU 171.A N TRP 186.A O no hydrogen 2.811 N/A SER 172.A OG ASN 137.A O no hydrogen 2.713 N/A SER 176.A N GLU 352.A OE2 no hydrogen 3.314 N/A SER 176.A OG GLU 352.A OE1 no hydrogen 2.450 N/A LEU 177.A N PRO 174.A O no hydrogen 2.942 N/A LEU 178.A N PRO 175.A O no hydrogen 2.837 N/A TRP 186.A N THR 169.A O no hydrogen 2.781 N/A ARG 188.A N PRO 356.A O no hydrogen 2.828 N/A ARG 188.A NE LEU 355.A O no hydrogen 3.639 N/A TRP 189.A NE1 THR 288.A OG1 no hydrogen 3.144 N/A VAL 211.A N ASP 240.A O no hydrogen 2.814 N/A ALA 212.A N ALA 277.A O no hydrogen 2.817 N/A ILE 213.A N VAL 242.A O no hydrogen 2.913 N/A THR 214.A N VAL 279.A O no hydrogen 2.950 N/A THR 214.A OG1 ALA 244.A O no hydrogen 3.319 N/A LEU 219.A N GLY 215.A O no hydrogen 2.836 N/A GLN 220.A N THR 216.A O no hydrogen 3.258 N/A GLN 220.A NE2 THR 216.A O no hydrogen 3.188 N/A ALA 221.A N ILE 217.A O no hydrogen 3.317 N/A PHE 222.A N GLU 218.A O no hydrogen 3.196 N/A GLY 223.A N LEU 219.A O no hydrogen 2.851 N/A GLU 228.A N GLY 225.A O no hydrogen 3.133 N/A ILE 231.A N VAL 227.A O no hydrogen 3.221 N/A ALA 232.A N GLU 228.A O no hydrogen 2.822 N/A ALA 233.A N PRO 229.A O no hydrogen 2.873 N/A ALA 234.A N ILE 230.A O no hydrogen 2.903 N/A GLY 235.A N ILE 231.A O no hydrogen 3.029 N/A GLY 235.A N ALA 232.A O no hydrogen 3.074 N/A GLU 236.A N ALA 233.A O no hydrogen 2.649 N/A VAL 237.A N ALA 234.A O no hydrogen 3.162 N/A ALA 239.A N VAL 237.A O no hydrogen 2.528 N/A PHE 241.A N ASN 259.A O no hydrogen 2.919 N/A VAL 242.A N VAL 211.A O no hydrogen 2.857 N/A LEU 243.A N ARG 261.A O no hydrogen 2.883 N/A ALA 244.A N ILE 213.A O no hydrogen 2.883 N/A LEU 248.A N LEU 245.A O no hydrogen 3.295 N/A LEU 253.A N ILE 250.A O no hydrogen 3.040 N/A GLY 254.A N SER 251.A O no hydrogen 2.956 N/A ASN 259.A ND2 ALA 234.A O no hydrogen 3.034 N/A ASN 259.A ND2 ALA 239.A O no hydrogen 2.665 N/A VAL 260.A N PRO 257.A O no hydrogen 2.849 N/A ARG 261.A N PHE 241.A O no hydrogen 3.117 N/A ARG 261.A NH1 GLU 210.A OE2 no hydrogen 2.646 N/A VAL 263.A N LEU 243.A O no hydrogen 3.066 N/A THR 266.A OG1 PRO 267.A O no hydrogen 3.145 N/A THR 270.A N PRO 267.A O no hydrogen 2.943 N/A LEU 271.A N PRO 267.A O no hydrogen 3.145 N/A LEU 272.A N LEU 268.A O no hydrogen 2.986 N/A ARG 273.A N THR 270.A O no hydrogen 3.416 N/A ARG 273.A NE THR 270.A O no hydrogen 3.357 N/A CYS 275.A N LEU 272.A O no hydrogen 3.061 N/A CYS 275.A SG LEU 271.A O no hydrogen 3.599 N/A THR 276.A N GLU 210.A O no hydrogen 2.899 N/A VAL 278.A N PRO 295.A O no hydrogen 3.253 N/A VAL 279.A N ALA 212.A O no hydrogen 2.702 N/A HIS 280.A N LEU 297.A O no hydrogen 3.030 N/A HIS 280.A NE2 GLN 296.A OE1 no hydrogen 2.705 N/A GLY 282.A N HIS 280.A ND1 no hydrogen 3.069 N/A VAL 287.A N GLY 283.A O no hydrogen 3.005 N/A THR 288.A OG1 GLY 285.A O no hydrogen 3.132 N/A ALA 289.A N THR 286.A O no hydrogen 2.846 N/A ILE 290.A N VAL 287.A O no hydrogen 2.979 N/A ALA 292.A N THR 288.A O no hydrogen 3.063 N/A GLY 293.A N ILE 290.A O no hydrogen 2.742 N/A ILE 294.A N ALA 289.A O no hydrogen 3.385 N/A GLN 296.A NE2 VAL 287.A O no hydrogen 3.274 N/A LEU 297.A N VAL 278.A O no hydrogen 2.936 N/A LEU 298.A N LEU 321.A O no hydrogen 2.790 N/A ALA 299.A N HIS 280.A O no hydrogen 2.868 N/A ARG 303.A N ASP 301.A OD1 no hydrogen 2.805 N/A ARG 303.A NE ASP 301.A OD1 no hydrogen 2.643 N/A ARG 303.A NH1 PHE 222.A O no hydrogen 3.157 N/A ASP 304.A N ASP 301.A O no hydrogen 2.874 N/A PHE 306.A N ASP 304.A OD1 no hydrogen 2.823 N/A GLN 307.A NE2 ASP 304.A O no hydrogen 2.732 N/A ARG 311.A N GLN 307.A O no hydrogen 3.282 N/A GLU 312.A N HIS 308.A O no hydrogen 3.183 N/A ALA 313.A N THR 309.A O no hydrogen 3.355 N/A VAL 314.A N ALA 310.A O no hydrogen 3.047 N/A SER 315.A N ARG 311.A O no hydrogen 2.926 N/A ARG 316.A N GLU 312.A O no hydrogen 2.800 N/A ARG 316.A NH2 LEU 177.A O no hydrogen 2.683 N/A ARG 317.A N ALA 313.A O no hydrogen 3.054 N/A ARG 317.A NE SER 176.A OG no hydrogen 3.154 N/A ARG 317.A NH1 ARG 317.A O no hydrogen 2.694 N/A ARG 317.A NH2 GLU 348.A OE2 no hydrogen 3.193 N/A GLY 318.A N VAL 314.A O no hydrogen 3.107 N/A LEU 321.A N GLN 296.A O no hydrogen 2.828 N/A SER 323.A N LEU 298.A O no hydrogen 2.845 N/A THR 324.A OG1 ASP 326.A OD1 no hydrogen 2.801 N/A SER 325.A N PRO 300.A O no hydrogen 2.914 N/A SER 325.A OG ALA 226.A O no hydrogen 3.322 N/A ASP 326.A N ASP 326.A OD1 no hydrogen 2.494 N/A LYS 327.A N THR 324.A O no hydrogen 2.823 N/A VAL 328.A N THR 324.A O no hydrogen 3.193 N/A LEU 332.A N ASP 329.A OD2 no hydrogen 3.155 N/A LEU 333.A N ASP 329.A O no hydrogen 3.176 N/A ARG 334.A N ALA 330.A O no hydrogen 2.853 N/A ARG 334.A NH2 GLU 236.A O no hydrogen 3.222 N/A ARG 335.A N ASP 331.A O no hydrogen 2.959 N/A ARG 335.A NE ASP 339.A OD2 no hydrogen 3.118 N/A LEU 336.A N LEU 332.A O no hydrogen 3.004 N/A ILE 337.A N LEU 333.A O no hydrogen 3.124 N/A GLY 338.A N ARG 335.A O no hydrogen 3.076 N/A ASP 339.A N ARG 335.A O no hydrogen 2.784 N/A SER 341.A N ASP 339.A OD1 no hydrogen 3.290 N/A SER 341.A OG ASP 339.A OD1 no hydrogen 2.993 N/A LEU 342.A N ASP 339.A O no hydrogen 3.108 N/A ARG 343.A NH1 THR 276.A O no hydrogen 2.826 N/A ARG 343.A NH2 THR 276.A O no hydrogen 3.287 N/A THR 344.A N GLU 340.A O no hydrogen 2.968 N/A THR 344.A OG1 GLU 340.A O no hydrogen 3.315 N/A ALA 345.A N SER 341.A O no hydrogen 3.155 N/A ALA 346.A N LEU 342.A O no hydrogen 2.928 N/A ARG 347.A N ARG 343.A O no hydrogen 2.770 N/A GLU 348.A N THR 344.A O no hydrogen 2.882 N/A VAL 349.A N ALA 345.A O no hydrogen 2.810 N/A ARG 350.A N ALA 346.A O no hydrogen 2.933 N/A ARG 350.A NE ASP 291.A O no hydrogen 2.718 N/A GLU 351.A N ARG 347.A O no hydrogen 3.009 N/A GLU 352.A N GLU 348.A O no hydrogen 3.037 N/A GLU 360.A N THR 357.A OG1 no hydrogen 3.087 N/A THR 361.A N THR 357.A O no hydrogen 2.906 N/A THR 361.A N PRO 358.A O no hydrogen 3.160 N/A THR 361.A OG1 THR 357.A O no hydrogen 2.706 N/A VAL 362.A N PRO 358.A O no hydrogen 2.968 N/A ARG 363.A N ALA 359.A O no hydrogen 3.356 N/A ARG 364.A N GLU 360.A O no hydrogen 3.049 N/A ILE 365.A N THR 361.A O no hydrogen 2.820 N/A VAL 366.A N VAL 362.A O no hydrogen 2.942 N/A GLU 367.A N ARG 363.A O no hydrogen 3.175 N/A ARG 368.A N ARG 364.A O no hydrogen 3.083 N/A ARG 368.A NE ARG 368.A O no hydrogen 3.327 N/A ILE 369.A N VAL 366.A O no hydrogen 3.256 N/A