Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8rxx_LB.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 CYS 3.A O no hydrogen 2.978 N/A CYS 3.A SG PHE 5.A O no hydrogen 3.669 N/A CYS 3.A SG GLU 6.A OE1 no hydrogen 3.850 N/A HIS 7.A ND1 PRO 8.A O no hydrogen 2.670 N/A ARG 9.A NE GLY 11.A O no hydrogen 3.366 N/A ARG 9.A NH1 THR 267.A O no hydrogen 3.074 N/A ARG 9.A NH2 HIS 10.A O no hydrogen 2.878 N/A ARG 9.A NH2 THR 267.A O no hydrogen 3.569 N/A LYS 19.A N PRO 17.A O no hydrogen 2.812 N/A LYS 19.A NZ ARG 20.A O no hydrogen 3.112 N/A ARG 20.A NE GLN 273.A OE1 no hydrogen 3.110 N/A SER 21.A N TYR 276.A O no hydrogen 2.787 N/A SER 21.A OG GLN 23.A O no hydrogen 2.436 N/A GLN 23.A N SER 21.A OG no hydrogen 3.232 N/A ARG 27.A N HIS 278.A NE2 no hydrogen 3.259 N/A ARG 27.A NE GLN 23.A OE1 no hydrogen 2.965 N/A ARG 27.A NH2 GLN 23.A OE1 no hydrogen 3.413 N/A ARG 29.A NH1 ARG 27.A O no hydrogen 3.503 N/A GLN 38.A N ASP 35.A O no hydrogen 3.310 N/A HIS 41.A N ASN 188.A O no hydrogen 2.896 N/A HIS 41.A ND1 LYS 39.A O no hydrogen 2.674 N/A THR 43.A N GLN 186.A O no hydrogen 2.974 N/A THR 43.A OG1 GLN 186.A O no hydrogen 2.351 N/A SER 44.A OG LEU 344.A O no hydrogen 3.235 N/A PHE 45.A N LEU 344.A O no hydrogen 2.900 N/A VAL 47.A N MET 342.A O no hydrogen 2.919 N/A PHE 48.A N GLU 79.A O no hydrogen 2.914 N/A LYS 49.A N ARG 340.A O no hydrogen 2.958 N/A LYS 49.A NZ VAL 334.A O no hydrogen 3.132 N/A LYS 49.A NZ GLY 336.A O no hydrogen 2.809 N/A ALA 50.A N ILE 77.A O no hydrogen 2.916 N/A THR 53.A N VAL 75.A O no hydrogen 2.932 N/A THR 53.A OG1 ASP 366.A O no hydrogen 2.545 N/A HIS 54.A N THR 53.A OG1 no hydrogen 2.628 N/A ILE 55.A N GLU 73.A O no hydrogen 2.903 N/A VAL 56.A N PHE 364.A O no hydrogen 2.883 N/A ARG 57.A N VAL 71.A O no hydrogen 2.961 N/A ARG 57.A NE GLU 73.A OE2 no hydrogen 3.491 N/A ARG 57.A NH1 GLU 358.A OE2 no hydrogen 2.696 N/A ARG 57.A NH2 GLU 358.A OE2 no hydrogen 3.516 N/A VAL 59.A N LYS 69.A O no hydrogen 3.093 N/A ASP 60.A N GLU 358.A OE2 no hydrogen 3.265 N/A ASN 67.A N SER 64.A O no hydrogen 3.418 N/A LYS 68.A N VAL 59.A O no hydrogen 2.791 N/A LYS 69.A N VAL 66.A O no hydrogen 3.266 N/A VAL 71.A N ARG 57.A O no hydrogen 2.879 N/A GLU 73.A N ILE 55.A O no hydrogen 2.887 N/A VAL 75.A N THR 53.A O no hydrogen 2.849 N/A THR 76.A N LEU 330.A O no hydrogen 3.052 N/A THR 76.A OG1 GLY 332.A O no hydrogen 2.353 N/A ILE 77.A N GLY 51.A O no hydrogen 2.749 N/A LEU 78.A N VAL 328.A O no hydrogen 2.954 N/A GLU 79.A N PHE 48.A O no hydrogen 2.851 N/A ALA 80.A N ASP 326.A O no hydrogen 2.587 N/A MET 83.A N VAL 207.A O no hydrogen 2.930 N/A VAL 84.A N HIS 164.A O no hydrogen 2.937 N/A ILE 85.A N LYS 205.A O no hydrogen 2.947 N/A VAL 86.A N ILE 162.A O no hydrogen 2.886 N/A ILE 88.A N VAL 104.A O no hydrogen 2.926 N/A VAL 89.A N ARG 160.A O no hydrogen 2.786 N/A TYR 91.A N VAL 158.A O no hydrogen 2.845 N/A TYR 91.A OH GLU 184.A OE1 no hydrogen 2.565 N/A TYR 91.A OH GLU 184.A OE2 no hydrogen 3.191 N/A ARG 92.A N LYS 99.A O no hydrogen 2.888 N/A THR 94.A N GLY 97.A O no hydrogen 2.885 N/A THR 94.A OG1 GLY 97.A O no hydrogen 2.618 N/A GLY 97.A N THR 94.A O no hydrogen 2.916 N/A LYS 99.A N ARG 92.A O no hydrogen 2.931 N/A THR 100.A OG1 GLY 90.A O no hydrogen 3.412 N/A ILE 101.A N GLY 90.A O no hydrogen 2.863 N/A VAL 104.A N ILE 88.A O no hydrogen 2.880 N/A ALA 106.A N VAL 86.A O no hydrogen 2.672 N/A HIS 108.A ND1 GLU 204.A OE2 no hydrogen 2.751 N/A ARG 114.A N SER 110.A O no hydrogen 2.939 N/A ARG 114.A NE THR 109.A O no hydrogen 3.527 N/A ARG 114.A NH2 THR 109.A O no hydrogen 3.218 N/A ARG 115.A N VAL 111.A O no hydrogen 2.890 N/A ARG 116.A N PHE 113.A O no hydrogen 3.215 N/A ARG 116.A NE ALA 180.A O no hydrogen 2.736 N/A ARG 116.A NH2 ALA 180.A O no hydrogen 2.796 N/A TYR 117.A N ARG 114.A O no hydrogen 3.256 N/A TYR 118.A N ARG 115.A O no hydrogen 3.050 N/A SER 124.A N TRP 121.A O no hydrogen 3.345 N/A SER 124.A OG TRP 121.A O no hydrogen 3.031 N/A GLN 126.A N SER 124.A OG no hydrogen 3.129 N/A GLN 126.A NE2 TRP 121.A O no hydrogen 3.269 N/A SER 130.A N LEU 127.A O no hydrogen 3.267 N/A SER 130.A OG LEU 127.A O no hydrogen 2.540 N/A LYS 133.A N PHE 129.A O no hydrogen 2.896 N/A GLN 134.A N SER 130.A O no hydrogen 2.946 N/A PHE 135.A N ARG 131.A O no hydrogen 2.877 N/A ALA 136.A N GLN 132.A O no hydrogen 2.921 N/A THR 138.A N PHE 135.A O no hydrogen 3.418 N/A THR 138.A OG1 PHE 135.A O no hydrogen 2.341 N/A GLY 141.A N THR 138.A OG1 no hydrogen 3.194 N/A LYS 142.A N THR 138.A O no hydrogen 2.887 N/A VAL 143.A N LYS 139.A O no hydrogen 2.970 N/A ALA 144.A N GLU 140.A O no hydrogen 2.873 N/A GLU 145.A N GLY 141.A O no hydrogen 2.933 N/A ALA 146.A N LYS 142.A O no hydrogen 2.947 N/A ARG 147.A N VAL 143.A O no hydrogen 2.882 N/A THR 148.A N ALA 144.A O no hydrogen 2.911 N/A THR 148.A OG1 ALA 144.A O no hydrogen 2.754 N/A LEU 149.A N GLU 145.A O no hydrogen 2.945 N/A ASN 150.A N ALA 146.A O no hydrogen 2.894 N/A ALA 151.A N ARG 147.A O no hydrogen 2.898 N/A PHE 152.A N THR 148.A O no hydrogen 2.926 N/A ALA 153.A N LEU 149.A O no hydrogen 2.925 N/A LYS 154.A N ASN 150.A O no hydrogen 2.902 N/A LYS 155.A N ALA 151.A O no hydrogen 2.903 N/A ALA 156.A N PHE 152.A O no hydrogen 3.163 N/A SER 157.A N TYR 91.A O no hydrogen 2.743 N/A SER 157.A OG TYR 91.A O no hydrogen 3.535 N/A VAL 158.A N TYR 91.A O no hydrogen 3.281 N/A ARG 160.A N VAL 89.A O no hydrogen 2.918 N/A ARG 160.A NE GLN 186.A OE1 no hydrogen 3.491 N/A ARG 160.A NH1 GLU 184.A OE1 no hydrogen 3.135 N/A VAL 161.A N ILE 185.A O no hydrogen 2.872 N/A ILE 162.A N GLY 87.A O no hydrogen 2.675 N/A ALA 163.A N GLN 183.A O no hydrogen 2.900 N/A HIS 164.A N VAL 84.A O no hydrogen 2.915 N/A HIS 164.A ND1 THR 165.A O no hydrogen 2.942 N/A THR 165.A N HIS 181.A O no hydrogen 2.928 N/A THR 165.A OG1 HIS 181.A ND1 no hydrogen 3.115 N/A GLN 166.A NE2 PRO 82.A O no hydrogen 2.677 N/A ARG 168.A N GLU 112.A OE1 no hydrogen 3.196 N/A LEU 170.A N GLN 166.A O no hydrogen 2.949 N/A ARG 171.A NE ARG 168.A O no hydrogen 3.437 N/A ASN 172.A N LEU 170.A O no hydrogen 2.700 N/A ASN 172.A ND2 TYR 320.A O no hydrogen 3.066 N/A VAL 175.A N ASN 172.A OD1 no hydrogen 3.003 N/A LYS 179.A NZ TYR 118.A O no hydrogen 2.643 N/A ALA 180.A N GLU 112.A O no hydrogen 2.800 N/A HIS 181.A N THR 165.A OG1 no hydrogen 3.019 N/A HIS 181.A ND1 THR 165.A OG1 no hydrogen 3.115 N/A GLN 183.A N ALA 163.A O no hydrogen 2.909 N/A GLN 183.A NE2 SER 44.A OG no hydrogen 3.368 N/A ILE 185.A N VAL 161.A O no hydrogen 2.886 N/A GLN 186.A NE2 ASN 188.A OD1 no hydrogen 2.510 N/A VAL 187.A N ILE 159.A O no hydrogen 2.919 N/A ASN 188.A N HIS 41.A O no hydrogen 2.882 N/A ASN 188.A ND2 PRO 32.A O no hydrogen 2.819 N/A GLY 189.A N ASP 34.A OD1 no hydrogen 2.400 N/A LYS 195.A N SER 191.A O no hydrogen 2.900 N/A LYS 195.A NZ ASP 34.A OD1 no hydrogen 3.511 N/A LYS 195.A NZ ASP 34.A OD2 no hydrogen 3.102 N/A LYS 195.A NZ GLY 189.A O no hydrogen 2.720 N/A LYS 195.A NZ GLY 190.A O no hydrogen 3.083 N/A ILE 196.A N VAL 192.A O no hydrogen 2.912 N/A ALA 197.A N ALA 193.A O no hydrogen 2.897 N/A LEU 198.A N ALA 194.A O no hydrogen 2.936 N/A ALA 199.A N LYS 195.A O no hydrogen 2.932 N/A LYS 200.A N ILE 196.A O no hydrogen 2.873 N/A SER 201.A N ALA 197.A O no hydrogen 2.942 N/A SER 201.A OG LEU 198.A O no hydrogen 2.757 N/A LEU 202.A N LEU 198.A O no hydrogen 2.906 N/A LEU 203.A N LYS 200.A O no hydrogen 3.368 N/A GLU 204.A N ILE 85.A O no hydrogen 2.857 N/A LYS 205.A N LEU 202.A O no hydrogen 3.201 N/A VAL 207.A N MET 83.A O no hydrogen 2.827 N/A ARG 208.A NE ASP 326.A OD2 no hydrogen 3.488 N/A ARG 208.A NH2 ASP 210.A OD2 no hydrogen 3.478 N/A SER 211.A N ARG 208.A O no hydrogen 3.055 N/A SER 211.A OG ARG 208.A O no hydrogen 2.583 N/A VAL 212.A N VAL 209.A O no hydrogen 3.109 N/A PHE 213.A N VAL 209.A O no hydrogen 2.936 N/A GLN 215.A NE2 TYR 287.A O no hydrogen 2.606 N/A SER 216.A OG GLU 358.A O no hydrogen 3.136 N/A CYS 219.A N LYS 284.A O no hydrogen 2.899 N/A CYS 219.A SG ASP 220.A O no hydrogen 3.879 N/A CYS 219.A SG LYS 284.A O no hydrogen 3.802 N/A ASP 220.A N ARG 345.A O no hydrogen 2.875 N/A VAL 221.A N GLN 281.A O no hydrogen 3.153 N/A CYS 222.A N THR 343.A O no hydrogen 2.884 N/A SER 223.A N ARG 279.A O no hydrogen 2.987 N/A SER 223.A OG SER 335.A O no hydrogen 3.085 N/A THR 225.A N HIS 277.A O no hydrogen 2.883 N/A THR 225.A OG1 LYS 226.A O no hydrogen 3.560 N/A HIS 228.A N HIS 274.A O no hydrogen 2.791 N/A GLU 231.A N GLY 272.A O no hydrogen 2.689 N/A ARG 236.A N GLY 232.A O no hydrogen 2.888 N/A ARG 236.A NE GLN 273.A O no hydrogen 2.867 N/A ARG 236.A NH1 ARG 270.A O no hydrogen 2.921 N/A ARG 236.A NH2 ARG 18.A O no hydrogen 2.941 N/A ARG 236.A NH2 GLN 273.A O no hydrogen 3.299 N/A TRP 237.A N VAL 233.A O no hydrogen 2.884 N/A TRP 237.A NE1 ARG 270.A O no hydrogen 3.098 N/A GLY 238.A N VAL 233.A O no hydrogen 3.234 N/A GLY 238.A N VAL 234.A O no hydrogen 3.027 N/A LEU 242.A N LEU 250.A O no hydrogen 2.885 N/A THR 246.A N PRO 243.A O no hydrogen 3.263 N/A THR 246.A OG1 PRO 243.A O no hydrogen 2.654 N/A LYS 252.A NZ ARG 248.A O no hydrogen 3.188 N/A CYS 255.A SG GLY 257.A O no hydrogen 3.153 N/A ARG 263.A N PRO 261.A O no hydrogen 2.700 N/A VAL 268.A N MET 265.A O no hydrogen 3.425 N/A GLY 272.A N GLU 231.A O no hydrogen 2.930 N/A GLN 273.A NE2 GLY 275.A O no hydrogen 2.699 N/A HIS 274.A N GLY 229.A O no hydrogen 2.889 N/A HIS 277.A N THR 225.A OG1 no hydrogen 3.371 N/A HIS 277.A ND1 LYS 19.A O no hydrogen 2.724 N/A ARG 279.A N SER 223.A O no hydrogen 2.855 N/A ARG 279.A NH1 HIS 278.A O no hydrogen 2.984 N/A GLN 281.A N VAL 221.A O no hydrogen 2.851 N/A GLN 281.A NE2 SER 223.A OG no hydrogen 2.760 N/A LYS 284.A N CYS 219.A O no hydrogen 2.927 N/A LYS 284.A NZ SER 333.A O no hydrogen 2.990 N/A LYS 285.A NZ SER 216.A O no hydrogen 2.541 N/A LYS 285.A NZ GLU 358.A O no hydrogen 2.709 N/A ILE 286.A N GLU 217.A O no hydrogen 2.873 N/A TYR 287.A N MET 329.A O no hydrogen 2.495 N/A TYR 287.A OH GLU 73.A OE2 no hydrogen 3.057 N/A GLN 288.A N MET 329.A O no hydrogen 2.985 N/A GLN 288.A NE2 GLN 299.A O no hydrogen 3.596 N/A GLY 290.A N TYR 327.A O no hydrogen 2.898 N/A SER 292.A OG ARG 324.A O no hydrogen 3.139 N/A ALA 294.A N SER 292.A OG no hydrogen 3.390 N/A VAL 295.A N SER 292.A O no hydrogen 2.960 N/A GLU 296.A N SER 292.A O no hydrogen 2.766 N/A GLN 299.A N PRO 297.A O no hydrogen 2.989 N/A GLN 299.A NE2 ARG 291.A O no hydrogen 2.710 N/A ALA 300.A N LYS 309.A O no hydrogen 2.951 N/A THR 301.A OG1 THR 307.A O no hydrogen 2.265 N/A THR 302.A N ASP 305.A O no hydrogen 3.057 N/A THR 302.A OG1 LYS 363.A O no hydrogen 2.972 N/A ASP 305.A N THR 302.A OG1 no hydrogen 2.910 N/A THR 307.A OG1 ASP 305.A OD1 no hydrogen 3.304 N/A LYS 309.A N THR 301.A OG1 no hydrogen 3.218 N/A LYS 309.A NZ ILE 365.A O no hydrogen 2.464 N/A LYS 309.A NZ THR 367.A OG1 no hydrogen 3.180 N/A LYS 309.A NZ GLN 377.A OE1 no hydrogen 3.279 N/A ILE 311.A N GLN 299.A OE1 no hydrogen 3.163 N/A MET 314.A N THR 367.A O no hydrogen 2.868 N/A GLY 316.A N PRO 313.A O no hydrogen 3.074 N/A PHE 317.A N GLY 321.A O no hydrogen 2.915 N/A TYR 320.A N PHE 317.A O no hydrogen 3.109 N/A TYR 320.A OH GLU 79.A OE1 no hydrogen 2.373 N/A GLY 321.A N PHE 317.A O no hydrogen 3.088 N/A VAL 323.A N THR 312.A OG1 no hydrogen 3.295 N/A ASN 325.A ND2 GLU 79.A OE2 no hydrogen 2.664 N/A ASN 325.A ND2 LYS 169.A O no hydrogen 3.030 N/A TYR 327.A N GLY 290.A O no hydrogen 2.928 N/A TYR 327.A OH GLN 288.A OE1 no hydrogen 2.447 N/A VAL 328.A N LEU 78.A O no hydrogen 2.813 N/A MET 329.A N GLN 288.A O no hydrogen 2.838 N/A LEU 330.A N THR 76.A O no hydrogen 3.144 N/A LYS 331.A N LYS 285.A O no hydrogen 2.785 N/A GLY 332.A N PRO 74.A O no hydrogen 2.867 N/A ARG 339.A N LYS 49.A O no hydrogen 2.818 N/A ARG 339.A NH1 GLY 319.A O no hydrogen 3.093 N/A ARG 340.A N PRO 337.A O no hydrogen 3.433 N/A ARG 340.A NE VAL 224.A O no hydrogen 3.127 N/A ARG 340.A NH2 VAL 224.A O no hydrogen 3.257 N/A MET 342.A N VAL 47.A O no hydrogen 2.860 N/A THR 343.A N CYS 222.A O no hydrogen 2.976 N/A THR 343.A OG1 GLY 26.A O no hydrogen 2.469 N/A THR 343.A OG1 GLN 183.A OE1 no hydrogen 3.249 N/A LEU 344.A N PHE 45.A O no hydrogen 2.862 N/A ARG 345.A N ASP 220.A O no hydrogen 2.878 N/A ARG 345.A NH1 ALA 30.A O no hydrogen 2.631 N/A ARG 345.A NH2 ASP 220.A OD2 no hydrogen 2.299 N/A ARG 346.A N THR 43.A O no hydrogen 3.271 N/A ARG 346.A NH1 VAL 212.A O no hydrogen 3.379 N/A GLN 351.A NE2 ASN 283.A OD1 no hydrogen 3.057 N/A GLN 351.A NE2 ALA 349.A O no hydrogen 2.755 N/A LYS 357.A N SER 353.A O no hydrogen 2.892 N/A ILE 360.A N SER 216.A OG no hydrogen 3.086 N/A LYS 363.A N VAL 56.A O no hydrogen 2.789 N/A LYS 363.A NZ GLU 70.A OE2 no hydrogen 2.653 N/A PHE 364.A N VAL 56.A O no hydrogen 3.278 N/A ASP 366.A N HIS 54.A O no hydrogen 3.028 N/A THR 367.A N GLN 377.A OE1 no hydrogen 2.981 N/A THR 367.A OG1 GLN 377.A O no hydrogen 3.056 N/A THR 367.A OG1 GLN 377.A OE1 no hydrogen 3.378 N/A SER 368.A N ASP 366.A OD1 no hydrogen 2.819 N/A SER 368.A OG ASP 366.A OD1 no hydrogen 2.791 N/A SER 369.A OG MET 314.A O no hydrogen 3.209 N/A SER 369.A OG ILE 371.A O no hydrogen 3.348 N/A LYS 370.A NZ ASP 366.A OD1 no hydrogen 3.261 N/A ILE 371.A N SER 369.A OG no hydrogen 3.213 N/A GLN 377.A N GLU 381.A OE1 no hydrogen 3.004 N/A GLU 381.A N THR 378.A OG1 no hydrogen 3.411 N/A LYS 382.A N THR 378.A O no hydrogen 2.978 N/A ASN 383.A N LYS 379.A O no hydrogen 2.872 N/A GLN 384.A N LYS 380.A O no hydrogen 2.875 N/A TRP 385.A N GLU 381.A O no hydrogen 2.962 N/A PHE 386.A N LYS 382.A O no hydrogen 2.959 N/A GLY 387.A N ASN 383.A O no hydrogen 2.869 N/A LEU 389.A N ASP 392.A OD2 no hydrogen 3.153 N/A ARG 393.A N LEU 389.A O no hydrogen 2.913 N/A ILE 394.A N LYS 390.A O no hydrogen 2.943 N/A ARG 395.A N LYS 391.A O no hydrogen 2.902 N/A ARG 396.A N ASP 392.A O no hydrogen 2.885 N/A GLU 397.A N ARG 393.A O no hydrogen 2.916 N/A GLU 398.A N ILE 394.A O no hydrogen 2.896 N/A ARG 399.A N ARG 395.A O no hydrogen 3.011 N/A LEU 400.A N ARG 396.A O no hydrogen 2.993 N/A ARG 401.A N GLU 397.A O no hydrogen 2.906 N/A