Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3doh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N GLU 23.A O no hydrogen 2.576 N/A SER 3.A N GLU 23.A O no hydrogen 3.444 N/A THR 5.A N VAL 21.A O no hydrogen 2.784 N/A LEU 6.A N ASP 130.A O no hydrogen 2.788 N/A ILE 7.A N ALA 19.A O no hydrogen 2.610 N/A THR 8.A N LYS 132.A O no hydrogen 3.118 N/A THR 8.A OG1 GLU 15.A OE2 no hydrogen 2.726 N/A LYS 9.A N LYS 16.A O no hydrogen 2.921 N/A PHE 11.A N GLY 14.A O no hydrogen 2.838 N/A GLY 14.A N PHE 11.A O no hydrogen 2.576 N/A LYS 16.A N LYS 9.A O no hydrogen 2.990 N/A LYS 16.A NZ SER 87.A OG no hydrogen 3.255 N/A VAL 17.A N SER 87.A O no hydrogen 3.240 N/A CYS 18.A N ILE 7.A O no hydrogen 2.727 N/A CYS 18.A SG ILE 7.A O no hydrogen 3.669 N/A ALA 19.A N ILE 7.A O no hydrogen 3.113 N/A VAL 20.A N LEU 78.A O no hydrogen 2.944 N/A VAL 21.A N THR 5.A O no hydrogen 2.793 N/A ILE 22.A N VAL 76.A O no hydrogen 2.728 N/A GLU 23.A N SER 3.A O no hydrogen 2.788 N/A TYR 24.A N LYS 74.A O no hydrogen 2.760 N/A TYR 24.A OH GLN 109.A OE1 no hydrogen 2.678 N/A ASP 29.A N ASP 29.A OD1 no hydrogen 2.446 N/A GLY 30.A N ASN 71.A O no hydrogen 2.696 N/A LEU 33.A N GLY 30.A O no hydrogen 2.909 N/A SER 34.A N GLN 37.A OE1 no hydrogen 2.947 N/A SER 34.A OG ASP 36.A OD2 no hydrogen 2.821 N/A GLN 37.A N SER 34.A O no hydrogen 3.047 N/A PHE 38.A N PRO 35.A O no hydrogen 3.313 N/A SER 39.A N SER 108.A O no hydrogen 2.729 N/A LYS 41.A N ILE 106.A O no hydrogen 2.864 N/A LYS 41.A NZ SER 50.A OG no hydrogen 2.844 N/A VAL 42.A N SER 49.A O no hydrogen 2.943 N/A LYS 43.A N ASP 104.A O no hydrogen 2.749 N/A THR 44.A N THR 47.A O no hydrogen 2.714 N/A THR 44.A OG1 LYS 43.A O no hydrogen 2.717 N/A SER 49.A N VAL 42.A O no hydrogen 2.988 N/A SER 49.A OG HIS 86.A ND1 no hydrogen 2.608 N/A ARG 51.A N VAL 40.A O no hydrogen 2.899 N/A ARG 51.A NE ASP 84.A OD2 no hydrogen 2.565 N/A ARG 51.A NH1 VAL 17.A O no hydrogen 2.780 N/A ARG 51.A NH1 TYR 105.A OH no hydrogen 3.182 N/A ARG 51.A NH2 VAL 17.A O no hydrogen 3.111 N/A ARG 51.A NH2 SER 81.A O no hydrogen 2.665 N/A THR 52.A N ASP 84.A OD2 no hydrogen 2.803 N/A THR 54.A N GLU 79.A O no hydrogen 2.849 N/A TYR 57.A N VAL 77.A O no hydrogen 3.058 N/A TYR 57.A OH LEU 64.A O no hydrogen 2.448 N/A ALA 58.A N ASN 71.A OD1 no hydrogen 2.818 N/A ASN 59.A N TYR 75.A O no hydrogen 3.144 N/A ASN 60.A ND2 GLU 27.A OE2 no hydrogen 2.627 N/A SER 61.A OG SER 65.A OG no hydrogen 3.212 N/A SER 65.A OG SER 61.A OG no hydrogen 3.212 N/A PHE 69.A N SER 67.A OG no hydrogen 3.196 N/A GLY 73.A N ILE 28.A O no hydrogen 2.763 N/A LYS 74.A N ASN 60.A OD1 no hydrogen 3.295 N/A TYR 75.A N ASN 59.A O no hydrogen 3.172 N/A VAL 76.A N ILE 22.A O no hydrogen 2.804 N/A VAL 77.A N TYR 57.A O no hydrogen 2.819 N/A LEU 78.A N VAL 20.A O no hydrogen 2.800 N/A GLU 79.A N LYS 55.A O no hydrogen 3.011 N/A LEU 80.A N CYS 18.A O no hydrogen 2.782 N/A SER 81.A N THR 52.A O no hydrogen 2.815 N/A SER 81.A OG GLU 83.A OE1 no hydrogen 2.985 N/A GLU 83.A N SER 81.A OG no hydrogen 3.082 N/A ASP 84.A N SER 81.A O no hydrogen 3.363 N/A HIS 86.A ND1 SER 49.A OG no hydrogen 2.608 N/A SER 87.A OG THR 82.A O no hydrogen 3.551 N/A SER 87.A OG ASP 84.A O no hydrogen 2.704 N/A THR 89.A N GLU 15.A O no hydrogen 2.850 N/A THR 89.A OG1 GLU 15.A O no hydrogen 3.065 N/A THR 89.A OG1 GLU 15.A OE1 no hydrogen 2.508 N/A VAL 91.A N THR 99.A O no hydrogen 2.932 N/A ASN 98.A N GLY 179.A O no hydrogen 2.847 N/A THR 99.A N VAL 91.A O no hydrogen 3.104 N/A ARG 100.A NH1 GLU 15.A OE1 no hydrogen 2.348 N/A ARG 100.A NH2 GLU 131.A OE1 no hydrogen 2.662 N/A ILE 106.A N LYS 41.A O no hydrogen 3.113 N/A VAL 107.A N SER 126.A O no hydrogen 2.749 N/A SER 108.A N SER 39.A O no hydrogen 2.873 N/A SER 108.A OG PHE 124.A O no hydrogen 3.395 N/A SER 108.A OG THR 125.A OG1 no hydrogen 2.811 N/A GLN 109.A N PHE 124.A O no hydrogen 3.119 N/A GLN 109.A NE2 VAL 111.A O no hydrogen 2.425 N/A GLN 109.A NE2 VAL 121.A O no hydrogen 3.233 N/A LEU 110.A N GLN 37.A O no hydrogen 2.737 N/A ILE 113.A N VAL 121.A O no hydrogen 3.032 N/A ASP 117.A N ASP 115.A OD1 no hydrogen 2.679 N/A VAL 121.A N ILE 113.A O no hydrogen 2.904 N/A PHE 124.A N GLN 109.A O no hydrogen 3.241 N/A THR 125.A OG1 SER 108.A OG no hydrogen 2.811 N/A SER 126.A N VAL 107.A O no hydrogen 3.018 N/A SER 126.A OG LYS 127.A O no hydrogen 2.459 N/A GLN 128.A N TYR 105.A O no hydrogen 3.262 N/A THR 129.A N VAL 4.A O no hydrogen 2.831 N/A LYS 132.A N LEU 6.A O no hydrogen 2.814 N/A LYS 132.A NZ ASP 137.A OD2 no hydrogen 2.874 N/A HIS 133.A NE2 GLU 131.A OE1 no hydrogen 2.667 N/A LEU 134.A N THR 8.A O no hydrogen 2.969 N/A ILE 135.A N ASP 137.A OD1 no hydrogen 3.306 N/A ASP 137.A N HIS 133.A O no hydrogen 2.900 N/A ASP 138.A N ILE 135.A O no hydrogen 3.407 N/A PHE 142.A N TYR 155.A O no hydrogen 2.889 N/A PHE 144.A N ILE 153.A O no hydrogen 2.930 N/A ASP 146.A N VAL 151.A O no hydrogen 3.178 N/A THR 149.A N ASP 146.A O no hydrogen 3.297 N/A THR 149.A N ASP 146.A OD1 no hydrogen 2.997 N/A GLY 150.A N ASP 146.A O no hydrogen 2.892 N/A VAL 151.A N THR 149.A O no hydrogen 2.842 N/A ILE 153.A N PHE 144.A O no hydrogen 2.953 N/A TYR 155.A N PHE 142.A O no hydrogen 2.791 N/A ARG 156.A N ALA 213.A O no hydrogen 2.915 N/A ARG 156.A NE PHE 139.A O no hydrogen 3.182 N/A ARG 156.A NH1 ASN 185.A O no hydrogen 3.140 N/A ARG 156.A NH2 PHE 139.A O no hydrogen 3.038 N/A LEU 157.A N LEU 140.A O no hydrogen 2.999 N/A PHE 158.A N VAL 211.A O no hydrogen 2.751 N/A ASP 166.A N ASN 164.A OD1 no hydrogen 2.759 N/A ARG 167.A N ASN 164.A O no hydrogen 3.318 N/A LYS 168.A NZ GLU 257.A OE1 no hydrogen 2.448 N/A TYR 169.A N ASN 254.A O no hydrogen 2.993 N/A TYR 169.A OH ASN 164.A O no hydrogen 3.240 N/A LEU 171.A N ARG 259.A O no hydrogen 2.976 N/A VAL 172.A N PHE 210.A O no hydrogen 2.658 N/A VAL 173.A N TYR 261.A O no hydrogen 3.103 N/A PHE 174.A N LEU 212.A O no hydrogen 2.764 N/A LEU 175.A N THR 263.A O no hydrogen 2.902 N/A HIS 176.A ND1 GLY 177.A O no hydrogen 2.658 N/A GLU 180.A N GLY 177.A O no hydrogen 3.081 N/A ARG 181.A N ALA 178.A O no hydrogen 2.945 N/A ARG 181.A NE ALA 178.A O no hydrogen 2.919 N/A ARG 181.A NH1 SER 220.A O no hydrogen 2.832 N/A ARG 181.A NH2 PHE 96.A O no hydrogen 3.110 N/A GLY 182.A N CYS 216.A O no hydrogen 3.027 N/A ASN 185.A N GLN 215.A OE1 no hydrogen 2.554 N/A ASN 185.A ND2 PHE 142.A O no hydrogen 3.129 N/A ASN 185.A ND2 TYR 155.A O no hydrogen 3.156 N/A TYR 186.A OH GLU 15.A OE2 no hydrogen 2.557 N/A LEU 187.A N ASP 184.A OD2 no hydrogen 3.136 N/A GLN 188.A N GLN 188.A OE1 no hydrogen 2.759 N/A GLN 188.A NE2 ASN 185.A OD1 no hydrogen 2.922 N/A GLN 188.A NE2 ALA 213.A O no hydrogen 3.029 N/A VAL 189.A N TYR 186.A O no hydrogen 2.952 N/A ALA 190.A N LEU 187.A O no hydrogen 2.997 N/A GLY 191.A N LEU 187.A O no hydrogen 2.859 N/A VAL 197.A N ARG 193.A O no hydrogen 3.088 N/A TRP 198.A NE1 GLY 194.A O no hydrogen 2.737 N/A ALA 199.A N VAL 196.A O no hydrogen 2.640 N/A GLN 200.A N VAL 197.A O no hydrogen 3.006 N/A TYR 203.A N GLN 200.A O no hydrogen 3.039 N/A GLN 204.A N GLN 200.A O no hydrogen 2.949 N/A GLN 204.A NE2 TRP 198.A O no hydrogen 2.675 N/A GLN 204.A NE2 CYS 209.A O no hydrogen 3.485 N/A VAL 205.A N PRO 201.A O no hydrogen 3.142 N/A VAL 206.A N TYR 203.A O no hydrogen 2.959 N/A HIS 207.A N TYR 203.A O no hydrogen 2.705 N/A CYS 209.A SG TRP 198.A O no hydrogen 3.804 N/A CYS 209.A SG PHE 210.A O no hydrogen 3.659 N/A PHE 210.A N PRO 170.A O no hydrogen 2.967 N/A VAL 211.A N PHE 158.A O no hydrogen 3.273 N/A LEU 212.A N VAL 172.A O no hydrogen 2.767 N/A ALA 213.A N ARG 156.A O no hydrogen 2.772 N/A GLN 215.A N PRO 154.A O no hydrogen 2.838 N/A GLN 215.A NE2 GLU 180.A O no hydrogen 2.975 N/A GLN 215.A NE2 ASP 184.A OD1 no hydrogen 2.776 N/A CYS 216.A N HIS 176.A NE2 no hydrogen 2.902 N/A SER 220.A N PRO 217.A O no hydrogen 2.660 N/A SER 220.A OG SER 221.A O no hydrogen 3.560 N/A SER 221.A OG SER 223.A O no hydrogen 2.980 N/A TRP 222.A NE1 HIS 176.A O no hydrogen 2.709 N/A SER 223.A OG PRO 232.A O no hydrogen 3.069 N/A THR 224.A N ASN 234.A O no hydrogen 2.650 N/A THR 224.A OG1 ASN 231.A O no hydrogen 2.957 N/A THR 224.A OG1 ASN 234.A O no hydrogen 3.313 N/A LEU 225.A N SER 223.A O no hydrogen 2.502 N/A PHE 226.A N SER 221.A OG no hydrogen 3.314 N/A THR 227.A OG1 GLU 236.A OE1 no hydrogen 2.263 N/A ASN 234.A N THR 224.A OG1 no hydrogen 2.962 N/A GLU 236.A N TRP 222.A O no hydrogen 3.011 N/A LEU 240.A N GLU 236.A O no hydrogen 2.941 N/A ALA 241.A N LYS 237.A O no hydrogen 2.682 N/A VAL 242.A N PRO 238.A O no hydrogen 2.994 N/A ILE 243.A N LEU 239.A O no hydrogen 3.117 N/A LYS 244.A N LEU 240.A O no hydrogen 3.389 N/A LYS 244.A NZ ASP 146.A OD1 no hydrogen 2.627 N/A LYS 244.A NZ ASP 146.A OD2 no hydrogen 2.861 N/A ILE 245.A N ALA 241.A O no hydrogen 3.079 N/A ILE 246.A N VAL 242.A O no hydrogen 2.890 N/A ARG 247.A N ILE 243.A O no hydrogen 3.076 N/A LYS 248.A N LYS 244.A O no hydrogen 3.013 N/A LEU 249.A N ILE 245.A O no hydrogen 2.997 N/A LEU 250.A N ILE 246.A O no hydrogen 2.970 N/A ASP 251.A N ARG 247.A O no hydrogen 3.066 N/A GLU 252.A N LYS 248.A O no hydrogen 2.674 N/A ASN 254.A ND2 PRO 165.A O no hydrogen 3.460 N/A ASN 254.A ND2 ARG 167.A O no hydrogen 2.795 N/A ASP 256.A N TYR 169.A O no hydrogen 2.729 N/A ASN 258.A N ASP 256.A OD1 no hydrogen 2.550 N/A ARG 259.A N ASP 256.A O no hydrogen 2.912 N/A ARG 259.A NH1 TYR 261.A OH no hydrogen 3.294 N/A TYR 261.A N LEU 171.A O no hydrogen 2.809 N/A TYR 261.A OH GLN 373.A O no hydrogen 2.405 N/A ILE 262.A N ALA 285.A O no hydrogen 3.019 N/A THR 263.A N VAL 173.A O no hydrogen 3.108 N/A THR 263.A OG1 ILE 287.A O no hydrogen 2.493 N/A THR 263.A OG1 TYR 361.A OH no hydrogen 2.580 N/A SER 266.A N ILE 289.A O no hydrogen 2.751 N/A SER 266.A OG HIS 354.A NE2 no hydrogen 3.062 N/A GLY 268.A N LEU 265.A O no hydrogen 2.765 N/A GLY 269.A N SER 266.A O no hydrogen 2.876 N/A TYR 270.A N SER 266.A O no hydrogen 3.002 N/A TYR 270.A OH ASN 321.A OD1 no hydrogen 3.228 N/A GLY 271.A N MET 267.A O no hydrogen 2.952 N/A THR 272.A N GLY 268.A O no hydrogen 2.907 N/A THR 272.A OG1 GLY 268.A O no hydrogen 2.690 N/A TRP 273.A N GLY 269.A O no hydrogen 2.968 N/A THR 274.A N TYR 270.A O no hydrogen 2.875 N/A THR 274.A OG1 PHE 233.A O no hydrogen 2.900 N/A THR 274.A OG1 TYR 270.A O no hydrogen 2.968 N/A ALA 275.A N GLY 271.A O no hydrogen 2.847 N/A ILE 276.A N THR 272.A O no hydrogen 3.138 N/A MET 277.A N TRP 273.A O no hydrogen 3.201 N/A GLU 278.A N THR 274.A O no hydrogen 2.826 N/A LEU 282.A N PHE 279.A O no hydrogen 2.839 N/A ALA 284.A N ILE 260.A O no hydrogen 2.898 N/A ALA 286.A N PRO 305.A O no hydrogen 3.120 N/A ILE 287.A N ILE 262.A O no hydrogen 2.875 N/A ILE 289.A N GLY 264.A O no hydrogen 3.035 N/A CYS 290.A N PHE 309.A O no hydrogen 2.923 N/A CYS 290.A SG HIS 354.A O no hydrogen 4.029 N/A SER 296.A OG ASP 294.A OD1 no hydrogen 2.481 N/A LYS 297.A N ASP 294.A O no hydrogen 3.174 N/A LYS 297.A NZ GLU 278.A OE2 no hydrogen 2.788 N/A VAL 298.A N VAL 295.A O no hydrogen 3.469 N/A ARG 300.A N LYS 297.A O no hydrogen 3.174 N/A ARG 300.A NH1 MET 277.A O no hydrogen 3.219 N/A ILE 301.A N VAL 298.A O no hydrogen 3.153 N/A LYS 302.A N GLU 299.A O no hydrogen 3.331 N/A ILE 304.A N ILE 301.A O no hydrogen 2.887 N/A ILE 306.A N LYS 335.A O no hydrogen 3.081 N/A TRP 307.A N ALA 286.A O no hydrogen 3.133 N/A TRP 307.A NE1 THR 339.A OG1 no hydrogen 2.874 N/A VAL 308.A N ARG 337.A O no hydrogen 2.847 N/A PHE 309.A N PRO 288.A O no hydrogen 3.472 N/A HIS 310.A ND1 ALA 311.A O no hydrogen 3.291 N/A GLU 312.A N TYR 341.A O no hydrogen 2.787 N/A ASP 314.A N ALA 311.A O no hydrogen 2.998 N/A VAL 316.A N ASP 314.A OD1 no hydrogen 2.702 N/A VAL 317.A N ASP 314.A OD1 no hydrogen 2.880 N/A ASN 321.A N PRO 318.A O no hydrogen 3.137 N/A ASN 321.A ND2 PRO 318.A O no hydrogen 3.376 N/A SER 322.A N VAL 319.A O no hydrogen 2.865 N/A ARG 323.A N VAL 319.A O no hydrogen 3.084 N/A ARG 323.A NE GLU 340.A OE1 no hydrogen 2.695 N/A ARG 323.A NH2 GLU 340.A OE1 no hydrogen 3.311 N/A ARG 323.A NH2 GLU 340.A OE2 no hydrogen 2.542 N/A VAL 324.A N GLU 320.A O no hydrogen 2.879 N/A VAL 326.A N SER 322.A O no hydrogen 2.935 N/A LYS 327.A N ARG 323.A O no hydrogen 2.866 N/A LYS 328.A N VAL 324.A O no hydrogen 3.330 N/A LEU 329.A N LEU 325.A O no hydrogen 2.839 N/A ALA 330.A N VAL 326.A O no hydrogen 2.826 N/A GLU 331.A N LYS 327.A O no hydrogen 3.081 N/A ILE 332.A N LEU 329.A O no hydrogen 3.350 N/A GLY 333.A N ALA 330.A O no hydrogen 3.337 N/A LYS 335.A NZ ASP 303.A O no hydrogen 3.114 N/A ARG 337.A N ILE 306.A O no hydrogen 2.803 N/A ARG 337.A NH1 GLU 365.A OE2 no hydrogen 3.307 N/A TYR 338.A OH GLU 340.A OE1 no hydrogen 2.597 N/A THR 339.A N VAL 308.A O no hydrogen 3.255 N/A TYR 341.A N HIS 310.A O no hydrogen 3.012 N/A TYR 341.A OH THR 360.A OG1 no hydrogen 3.070 N/A GLY 344.A N ASP 313.A OD2 no hydrogen 3.006 N/A PHE 345.A N GLU 342.A O no hydrogen 2.845 N/A LYS 348.A N GLY 344.A O no hydrogen 2.886 N/A HIS 349.A N PHE 345.A O no hydrogen 3.244 N/A HIS 349.A N MET 346.A O no hydrogen 2.784 N/A GLY 350.A N GLU 347.A O no hydrogen 2.956 N/A TRP 351.A N MET 346.A O no hydrogen 3.031 N/A HIS 354.A N ASP 352.A OD1 no hydrogen 2.779 N/A HIS 354.A ND1 ASP 314.A OD2 no hydrogen 2.668 N/A HIS 354.A NE2 SER 266.A OG no hydrogen 3.062 N/A GLY 355.A N ASP 352.A O no hydrogen 3.010 N/A SER 356.A N HIS 354.A O no hydrogen 2.717 N/A ILE 358.A N GLY 355.A O no hydrogen 2.896 N/A THR 360.A OG1 TYR 341.A OH no hydrogen 3.070 N/A THR 360.A OG1 SER 356.A O no hydrogen 2.637 N/A TYR 361.A N TRP 357.A O no hydrogen 2.910 N/A TYR 361.A OH THR 263.A OG1 no hydrogen 2.580 N/A GLU 362.A N PRO 359.A O no hydrogen 3.089 N/A ASN 363.A N THR 360.A O no hydrogen 2.958 N/A ALA 366.A N ASN 363.A OD1 no hydrogen 3.114 N/A ILE 367.A N ASN 363.A O no hydrogen 3.142 N/A GLU 368.A N GLN 364.A O no hydrogen 2.937 N/A TRP 369.A N GLU 365.A O no hydrogen 2.770 N/A LEU 370.A N ALA 366.A O no hydrogen 3.008 N/A LEU 370.A N ILE 367.A O no hydrogen 3.126 N/A PHE 371.A N ILE 367.A O no hydrogen 3.293 N/A GLU 372.A N GLU 368.A O no hydrogen 3.201 N/A GLU 372.A N TRP 369.A O no hydrogen 3.176 N/A GLN 373.A N LEU 370.A O no hydrogen 3.011 N/A GLN 373.A NE2 TRP 369.A O no hydrogen 3.080 N/A ARG 375.A N ASN 258.A O no hydrogen 3.275 N/A ARG 375.A NH1 PRO 280.A O no hydrogen 3.391 N/A