Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8u6e_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 ASP 114.A OD2 no hydrogen 3.529 N/A LYS 9.A N ARG 79.A O no hydrogen 3.034 N/A VAL 17.A N ASN 53.A O no hydrogen 2.938 N/A GLN 19.A NE2 TRP 20.A O no hydrogen 2.999 N/A GLN 19.A NE2 VAL 56.A O no hydrogen 2.809 N/A LYS 26.A NZ GLU 381.A OE1 no hydrogen 3.218 N/A ILE 27.A N THR 23.A O no hydrogen 2.824 N/A LYS 28.A N GLU 24.A O no hydrogen 2.911 N/A ALA 29.A N GLU 25.A O no hydrogen 3.200 N/A LEU 30.A N LYS 26.A O no hydrogen 3.194 N/A VAL 31.A N ILE 27.A O no hydrogen 2.936 N/A GLU 32.A N LYS 28.A O no hydrogen 2.981 N/A ILE 33.A N ALA 29.A O no hydrogen 2.850 N/A CYS 34.A N LEU 30.A O no hydrogen 2.829 N/A THR 35.A N VAL 31.A O no hydrogen 2.869 N/A THR 35.A OG1 VAL 31.A O no hydrogen 2.986 N/A GLU 36.A N GLU 32.A O no hydrogen 3.325 N/A MET 37.A N ILE 33.A O no hydrogen 3.051 N/A GLU 38.A N CYS 34.A O no hydrogen 2.985 N/A LYS 39.A N THR 35.A O no hydrogen 3.235 N/A LYS 39.A NZ GLU 36.A OE2 no hydrogen 3.332 N/A GLU 40.A N GLU 36.A O no hydrogen 3.022 N/A GLU 40.A N MET 37.A O no hydrogen 3.309 N/A GLY 41.A N GLU 38.A O no hydrogen 2.745 N/A LYS 42.A N MET 37.A O no hydrogen 2.897 N/A LYS 42.A NZ GLU 40.A OE1 no hydrogen 3.184 N/A LYS 42.A NZ ASP 106.A OD1 no hydrogen 3.529 N/A SER 44.A N GLN 138.A O no hydrogen 3.053 N/A ILE 46.A N ARG 136.A O no hydrogen 3.406 N/A GLU 49.A N GLU 49.A OE1 no hydrogen 2.593 N/A ASN 50.A N GLY 47.A O no hydrogen 3.232 N/A ASN 50.A ND2 LYS 119.A O no hydrogen 3.149 N/A TYR 52.A N ASN 50.A OD1 no hydrogen 2.925 N/A TYR 52.A OH ASP 13.A OD1 no hydrogen 2.604 N/A ASN 53.A N PRO 15.A O no hydrogen 2.734 N/A ASN 53.A ND2 VAL 17.A O no hydrogen 2.933 N/A THR 54.A N ALA 122.A O no hydrogen 2.885 N/A VAL 56.A N GLN 19.A OE1 no hydrogen 2.727 N/A PHE 57.A N LEU 70.A O no hydrogen 3.028 N/A ILE 59.A N ARG 68.A O no hydrogen 2.837 N/A ARG 68.A N ILE 59.A O no hydrogen 2.694 N/A ARG 68.A NH1 LYS 69.A O no hydrogen 3.044 N/A LYS 69.A NZ TYR 139.A OH no hydrogen 3.424 N/A LEU 70.A N PHE 57.A O no hydrogen 3.020 N/A ASP 72.A N PRO 55.A O no hydrogen 3.096 N/A PHE 73.A N VAL 71.A O no hydrogen 3.000 N/A ARG 74.A N ASP 72.A OD1 no hydrogen 3.195 N/A ARG 74.A NE ASP 72.A OD1 no hydrogen 2.927 N/A ARG 74.A NE ASP 72.A OD2 no hydrogen 3.438 N/A ARG 74.A NH1 PRO 389.A O no hydrogen 3.012 N/A ARG 74.A NH2 ASP 72.A OD2 no hydrogen 2.952 N/A ASN 77.A N PHE 73.A O no hydrogen 2.679 N/A ASN 77.A ND2 GLY 145.A O no hydrogen 3.071 N/A LYS 78.A N ARG 74.A O no hydrogen 3.152 N/A LYS 78.A NZ GLU 390.A OE1 no hydrogen 3.556 N/A ARG 79.A N LEU 76.A O no hydrogen 3.019 N/A ARG 79.A NE ASP 13.A O no hydrogen 2.947 N/A ARG 79.A NH1 GLU 75.A OE2 no hydrogen 2.391 N/A ARG 79.A NH2 ASP 13.A O no hydrogen 3.076 N/A THR 80.A N LEU 76.A O no hydrogen 2.918 N/A THR 80.A N ASN 77.A O no hydrogen 3.410 N/A THR 80.A OG1 LEU 76.A O no hydrogen 2.897 N/A GLN 81.A N LYS 7.A O no hydrogen 3.338 N/A HIS 89.A NE2 VAL 358.A O no hydrogen 2.625 N/A LEU 93.A N PRO 90.A O no hydrogen 2.816 N/A LYS 95.A N GLY 92.A O no hydrogen 3.043 N/A LYS 96.A N LEU 93.A O no hydrogen 3.452 N/A LYS 96.A NZ ASP 185.A OD2 no hydrogen 3.044 N/A LYS 97.A N ASP 185.A OD1 no hydrogen 2.962 N/A SER 98.A N SER 184.A O no hydrogen 3.067 N/A SER 98.A OG HIS 214.A ND1 no hydrogen 3.330 N/A VAL 99.A N LEU 213.A O no hydrogen 2.785 N/A THR 100.A N VAL 182.A O no hydrogen 2.725 N/A THR 100.A OG1 HIS 191.A NE2 no hydrogen 2.770 N/A VAL 101.A N TYR 211.A O no hydrogen 3.098 N/A LEU 102.A N LEU 180.A O no hydrogen 2.632 N/A VAL 104.A N ASP 178.A O no hydrogen 3.041 N/A GLY 105.A N ASP 103.A OD1 no hydrogen 3.186 N/A ALA 107.A N VAL 104.A O no hydrogen 3.256 N/A TYR 108.A N GLY 105.A O no hydrogen 2.851 N/A TYR 108.A OH MET 177.A O no hydrogen 2.867 N/A PHE 109.A N ASP 106.A O no hydrogen 3.082 N/A SER 110.A N ALA 107.A O no hydrogen 3.338 N/A SER 110.A OG ALA 107.A O no hydrogen 3.195 N/A VAL 111.A N TYR 108.A O no hydrogen 3.190 N/A LEU 113.A N ASN 140.A O no hydrogen 2.917 N/A PHE 117.A N ASP 114.A O no hydrogen 2.836 N/A ARG 118.A N GLU 115.A O no hydrogen 3.211 N/A ARG 118.A NE LEU 113.A O no hydrogen 2.840 N/A ARG 118.A NH1 ASN 140.A OD1 no hydrogen 3.311 N/A ARG 118.A NH2 LEU 113.A O no hydrogen 2.644 N/A LYS 119.A NZ ASP 116.A O no hydrogen 3.126 N/A TYR 120.A N PHE 117.A O no hydrogen 2.868 N/A THR 121.A N ARG 118.A O no hydrogen 2.776 N/A THR 121.A OG1 ARG 118.A O no hydrogen 2.857 N/A PHE 123.A N TYR 137.A O no hydrogen 3.125 N/A THR 124.A OG1 ASN 53.A OD1 no hydrogen 2.784 N/A ILE 125.A N ILE 135.A O no hydrogen 2.922 N/A SER 127.A OG THR 132.A O no hydrogen 2.609 N/A ASN 129.A ND2 GLU 131.A OE2 no hydrogen 3.291 N/A ASN 130.A N SER 127.A O no hydrogen 3.194 N/A GLU 131.A N ILE 128.A O no hydrogen 3.190 N/A THR 132.A OG1 PRO 133.A O no hydrogen 3.423 N/A ILE 135.A N ILE 125.A O no hydrogen 3.029 N/A ARG 136.A NH1 TYR 52.A O no hydrogen 2.994 N/A ARG 136.A NH1 THR 124.A OG1 no hydrogen 3.335 N/A ARG 136.A NH2 TYR 52.A O no hydrogen 2.947 N/A TYR 137.A N PHE 123.A O no hydrogen 3.136 N/A TYR 137.A OH GLU 38.A OE1 no hydrogen 3.269 N/A GLN 138.A N SER 44.A O no hydrogen 2.936 N/A TYR 139.A N THR 121.A OG1 no hydrogen 2.896 N/A ASN 140.A N LYS 42.A O no hydrogen 2.755 N/A ASN 140.A ND2 GLY 41.A O no hydrogen 2.633 N/A ASN 140.A ND2 SER 44.A OG no hydrogen 3.094 N/A LEU 142.A N VAL 111.A O no hydrogen 3.111 N/A GLY 145.A N ASP 178.A OD1 no hydrogen 3.142 N/A TRP 146.A NE1 THR 80.A OG1 no hydrogen 2.991 N/A LYS 147.A N ASN 77.A OD1 no hydrogen 2.678 N/A LYS 147.A NZ ASN 77.A O no hydrogen 3.370 N/A LYS 147.A NZ THR 80.A O no hydrogen 2.549 N/A LYS 147.A NZ ASP 82.A OD1 no hydrogen 3.270 N/A SER 149.A N TRP 146.A O no hydrogen 3.148 N/A SER 149.A OG PRO 143.A O no hydrogen 2.567 N/A ILE 152.A N GLY 148.A O no hydrogen 2.978 N/A PHE 153.A N SER 149.A O no hydrogen 3.010 N/A GLN 154.A N ALA 151.A O no hydrogen 2.854 N/A GLN 154.A NE2 VAL 86.A O no hydrogen 2.625 N/A SER 155.A OG ILE 152.A O no hydrogen 3.490 N/A MET 157.A N PHE 153.A O no hydrogen 3.024 N/A THR 158.A N GLN 154.A O no hydrogen 3.174 N/A THR 158.A OG1 GLN 154.A O no hydrogen 2.728 N/A LYS 159.A N SER 156.A O no hydrogen 3.152 N/A ILE 160.A N SER 156.A O no hydrogen 3.100 N/A LYS 165.A N LEU 161.A O no hydrogen 2.859 N/A LYS 166.A N GLU 162.A O no hydrogen 2.791 N/A GLN 167.A N PRO 163.A O no hydrogen 2.794 N/A GLN 167.A NE2 ASN 168.A OD1 no hydrogen 2.984 N/A ASN 168.A N PHE 164.A O no hydrogen 2.848 N/A ILE 171.A N ASN 168.A O no hydrogen 3.257 N/A VAL 172.A N GLY 183.A O no hydrogen 2.850 N/A TYR 174.A N TYR 181.A O no hydrogen 2.877 N/A TYR 176.A N ASP 179.A O no hydrogen 3.025 N/A ASP 179.A N TYR 176.A O no hydrogen 2.897 N/A LEU 180.A N LEU 102.A O no hydrogen 2.796 N/A TYR 181.A N TYR 174.A O no hydrogen 2.644 N/A VAL 182.A N THR 100.A O no hydrogen 2.658 N/A GLY 183.A N VAL 172.A O no hydrogen 2.647 N/A SER 184.A N SER 98.A O no hydrogen 2.920 N/A SER 184.A OG HIS 191.A ND1 no hydrogen 2.502 N/A HIS 191.A N GLU 187.A O no hydrogen 2.493 N/A ARG 192.A N ILE 188.A O no hydrogen 2.513 N/A THR 193.A N GLY 189.A O no hydrogen 3.238 N/A THR 193.A OG1 GLY 189.A O no hydrogen 3.460 N/A THR 193.A OG1 GLN 190.A O no hydrogen 2.366 N/A LYS 194.A N GLN 190.A O no hydrogen 2.796 N/A ILE 195.A N HIS 191.A O no hydrogen 2.620 N/A GLU 196.A N ARG 192.A O no hydrogen 2.610 N/A GLU 197.A N THR 193.A O no hydrogen 2.588 N/A LEU 198.A N LYS 194.A O no hydrogen 3.076 N/A ARG 199.A N ILE 195.A O no hydrogen 2.856 N/A ARG 199.A NE LEU 207.A O no hydrogen 2.695 N/A ARG 199.A NH1 GLU 196.A OE1 no hydrogen 2.552 N/A GLN 200.A N GLU 197.A O no hydrogen 2.991 N/A HIS 201.A N GLU 197.A O no hydrogen 3.472 N/A LEU 203.A N ARG 199.A O no hydrogen 3.318 N/A ARG 204.A N GLN 200.A O no hydrogen 3.013 N/A ARG 204.A N HIS 201.A O no hydrogen 3.169 N/A TRP 205.A N HIS 201.A O no hydrogen 2.775 N/A MET 209.A N PHE 206.A O no hydrogen 3.397 N/A TYR 211.A N VAL 101.A O no hydrogen 3.096 N/A LEU 213.A N VAL 99.A O no hydrogen 2.995 N/A GLN 221.A N THR 330.A OG1 no hydrogen 2.714 N/A GLN 221.A NE2 THR 330.A O no hydrogen 2.737 N/A THR 232.A N ASP 235.A OD2 no hydrogen 2.988 N/A VAL 233.A N GLU 270.A O no hydrogen 2.901 N/A ASN 234.A N LEU 268.A O no hydrogen 2.933 N/A ASP 235.A N THR 232.A OG1 no hydrogen 3.038 N/A ILE 236.A N THR 232.A O no hydrogen 3.178 N/A GLN 237.A N VAL 233.A O no hydrogen 2.883 N/A LYS 238.A N ASN 234.A O no hydrogen 2.983 N/A LEU 239.A N ASP 235.A O no hydrogen 2.966 N/A VAL 240.A N ILE 236.A O no hydrogen 2.941 N/A GLY 241.A N GLN 237.A O no hydrogen 2.937 N/A LYS 242.A N LYS 238.A O no hydrogen 2.840 N/A LYS 242.A NZ VAL 224.A O no hydrogen 2.486 N/A LEU 243.A N LEU 239.A O no hydrogen 2.804 N/A ASN 244.A N VAL 240.A O no hydrogen 2.956 N/A TRP 245.A N GLY 241.A O no hydrogen 3.202 N/A ALA 246.A N LYS 242.A O no hydrogen 2.904 N/A SER 247.A N LEU 243.A O no hydrogen 2.961 N/A SER 247.A N ASN 244.A O no hydrogen 3.217 N/A SER 247.A OG ASN 244.A O no hydrogen 2.388 N/A GLN 248.A N TRP 245.A O no hydrogen 3.039 N/A GLN 248.A NE2 TRP 245.A O no hydrogen 3.502 N/A ILE 249.A N ALA 246.A O no hydrogen 2.864 N/A TYR 250.A N ALA 246.A O no hydrogen 2.853 N/A TYR 250.A OH GLU 291.A O no hydrogen 3.015 N/A LYS 254.A N ASN 285.A OD1 no hydrogen 3.030 N/A GLN 257.A N GLU 281.A OE1 no hydrogen 3.023 N/A LEU 258.A N GLU 281.A OE2 no hydrogen 2.723 N/A SER 259.A N VAL 255.A O no hydrogen 2.890 N/A SER 259.A OG VAL 255.A O no hydrogen 2.997 N/A LYS 260.A N ARG 256.A O no hydrogen 2.999 N/A LEU 261.A N LEU 258.A O no hydrogen 3.200 N/A LEU 262.A N SER 259.A O no hydrogen 2.681 N/A ARG 263.A N SER 259.A O no hydrogen 3.131 N/A ARG 263.A N LYS 260.A O no hydrogen 3.273 N/A GLU 270.A N ALA 267.A O no hydrogen 3.098 N/A ILE 272.A N TRP 231.A O no hydrogen 2.651 N/A ALA 278.A N THR 275.A OG1 no hydrogen 2.790 N/A GLU 279.A N THR 275.A O no hydrogen 3.145 N/A LEU 280.A N GLU 276.A O no hydrogen 3.283 N/A GLU 281.A N GLU 277.A O no hydrogen 2.991 N/A LEU 282.A N ALA 278.A O no hydrogen 2.963 N/A ALA 283.A N GLU 279.A O no hydrogen 3.054 N/A GLU 284.A N LEU 280.A O no hydrogen 2.780 N/A ASN 285.A N GLU 281.A O no hydrogen 2.922 N/A ASN 285.A ND2 LYS 254.A O no hydrogen 2.873 N/A ARG 286.A N LEU 282.A O no hydrogen 2.897 N/A ARG 286.A NH1 LEU 225.A O no hydrogen 3.080 N/A ARG 286.A NH2 PRO 226.A O no hydrogen 3.218 N/A GLU 287.A N ALA 283.A O no hydrogen 2.943 N/A ILE 288.A N GLU 284.A O no hydrogen 3.089 N/A LEU 289.A N ASN 285.A O no hydrogen 3.051 N/A LYS 290.A N GLU 287.A O no hydrogen 3.124 N/A VAL 296.A N HIS 294.A O no hydrogen 2.745 N/A ASP 299.A N GLN 322.A OE1 no hydrogen 2.991 N/A SER 301.A N ASP 299.A OD1 no hydrogen 2.905 N/A SER 301.A OG ASP 299.A OD1 no hydrogen 2.743 N/A SER 301.A OG ASP 299.A OD2 no hydrogen 2.890 N/A LYS 302.A N ASP 299.A O no hydrogen 3.170 N/A ILE 305.A N TYR 321.A O no hydrogen 2.831 N/A ALA 306.A N LYS 365.A O no hydrogen 2.896 N/A GLU 307.A N GLN 319.A O no hydrogen 2.958 N/A GLN 309.A N THR 317.A O no hydrogen 2.862 N/A GLN 309.A NE2 GLN 319.A OE1 no hydrogen 2.885 N/A LYS 310.A NZ ASP 341.A OD2 no hydrogen 2.463 N/A GLN 311.A N GLN 315.A O no hydrogen 2.972 N/A GLN 311.A NE2 THR 317.A OG1 no hydrogen 3.027 N/A GLN 311.A NE2 LYS 401.A O no hydrogen 3.015 N/A GLN 315.A N GLY 312.A O no hydrogen 3.077 N/A TRP 316.A N TYR 333.A O no hydrogen 2.782 N/A TRP 316.A NE1 GLN 344.A OE1 no hydrogen 3.043 N/A THR 317.A N GLN 309.A O no hydrogen 3.015 N/A THR 317.A OG1 GLN 309.A OE1 no hydrogen 2.736 N/A TYR 318.A N GLY 331.A O no hydrogen 3.130 N/A GLN 319.A N GLU 307.A O no hydrogen 3.031 N/A GLN 319.A NE2 GLN 309.A OE1 no hydrogen 2.913 N/A ILE 320.A N LYS 329.A O no hydrogen 2.818 N/A TYR 321.A N ILE 305.A O no hydrogen 2.938 N/A TYR 321.A OH GLU 307.A OE2 no hydrogen 3.122 N/A GLN 322.A NE2 ASP 299.A O no hydrogen 3.117 N/A GLN 322.A NE2 ASP 303.A O no hydrogen 3.463 N/A LYS 326.A N GLU 323.A O no hydrogen 3.108 N/A ASN 327.A ND2 TYR 404.A OH no hydrogen 3.501 N/A LEU 328.A N ILE 320.A O no hydrogen 2.856 N/A LYS 329.A NZ THR 219.A O no hydrogen 3.517 N/A LYS 329.A NZ THR 330.A O no hydrogen 3.500 N/A GLY 331.A N TYR 318.A O no hydrogen 3.012 N/A LYS 332.A NZ GLN 315.A OE1 no hydrogen 2.826 N/A TYR 333.A N TRP 316.A O no hydrogen 2.729 N/A TYR 333.A OH GLU 355.A OE2 no hydrogen 2.219 N/A ASN 340.A N ALA 337.A O no hydrogen 2.675 N/A ASN 340.A ND2 TYR 382.A OH no hydrogen 2.728 N/A LYS 343.A N ASN 340.A OD1 no hydrogen 2.944 N/A GLN 344.A N ASN 340.A O no hydrogen 3.226 N/A GLN 344.A NE2 ALA 337.A O no hydrogen 2.645 N/A GLN 344.A NE2 ASN 340.A O no hydrogen 3.497 N/A LEU 345.A N ASP 341.A O no hydrogen 2.958 N/A THR 346.A N VAL 342.A O no hydrogen 2.954 N/A THR 346.A OG1 VAL 342.A O no hydrogen 2.624 N/A GLU 347.A N LYS 343.A O no hydrogen 2.956 N/A ALA 348.A N GLN 344.A O no hydrogen 2.845 N/A VAL 349.A N LEU 345.A O no hydrogen 2.848 N/A GLN 350.A N THR 346.A O no hydrogen 3.062 N/A GLN 350.A NE2 THR 346.A O no hydrogen 2.951 N/A LYS 351.A N GLU 347.A O no hydrogen 2.988 N/A ILE 352.A N ALA 348.A O no hydrogen 2.923 N/A THR 353.A N VAL 349.A O no hydrogen 2.802 N/A THR 353.A OG1 VAL 349.A O no hydrogen 2.941 N/A THR 354.A N GLN 350.A O no hydrogen 2.805 N/A THR 354.A OG1 GLN 350.A O no hydrogen 3.213 N/A GLU 355.A N LYS 351.A O no hydrogen 2.940 N/A SER 356.A N ILE 352.A O no hydrogen 3.101 N/A SER 356.A N THR 353.A O no hydrogen 2.975 N/A SER 356.A OG LYS 362.A O no hydrogen 2.929 N/A ILE 357.A N THR 353.A O no hydrogen 2.952 N/A VAL 358.A N THR 354.A O no hydrogen 3.118 N/A ILE 359.A N GLU 355.A O no hydrogen 3.123 N/A TRP 360.A N SER 356.A O no hydrogen 3.073 N/A GLY 361.A N ILE 357.A O no hydrogen 2.835 N/A LYS 362.A NZ PRO 300.A O no hydrogen 3.162 N/A LYS 362.A NZ LYS 302.A O no hydrogen 2.719 N/A LYS 365.A N LEU 304.A O no hydrogen 2.786 N/A PHE 366.A N GLU 390.A O no hydrogen 2.936 N/A LYS 367.A N ALA 306.A O no hydrogen 2.808 N/A LYS 367.A NZ GLU 307.A OE2 no hydrogen 2.957 N/A LEU 368.A N GLU 392.A O no hydrogen 2.739 N/A GLN 371.A NE2.A GLU 373.A OE1 no hydrogen 2.947 N/A THR 374.A N GLN 371.A O.A no hydrogen 3.068 N/A THR 374.A N GLN 371.A O.B no hydrogen 3.044 N/A TRP 375.A N GLN 371.A O.A no hydrogen 3.142 N/A TRP 375.A N GLN 371.A O.B no hydrogen 3.133 N/A GLU 376.A N LYS 372.A O no hydrogen 2.795 N/A THR 377.A N GLU 373.A O no hydrogen 3.065 N/A THR 377.A OG1 GLU 373.A O no hydrogen 2.655 N/A TRP 378.A N TRP 375.A O no hydrogen 3.084 N/A TRP 379.A N TRP 375.A O no hydrogen 3.013 N/A GLU 381.A N TRP 378.A O no hydrogen 3.046 N/A TYR 382.A N TRP 379.A O no hydrogen 3.059 N/A TRP 383.A NE1 TRP 387.A O no hydrogen 2.902 N/A GLN 384.A N GLN 350.A OE1 no hydrogen 2.699 N/A GLN 384.A NE2 LYS 60.A O no hydrogen 3.357 N/A GLU 392.A N PHE 366.A O no hydrogen 2.831 N/A VAL 394.A N LEU 368.A O no hydrogen 2.873 N/A ASN 395.A ND2 GLN 371.A OE1.B no hydrogen 2.614 N/A LYS 401.A N PRO 398.A O no hydrogen 3.429 N/A TYR 404.A N LYS 401.A O no hydrogen 3.308 N/A GLN 405.A N LEU 402.A O no hydrogen 2.782 N/A GLN 405.A NE2 GLN 311.A OE1 no hydrogen 2.873 N/A