Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8u6k_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 7.A N ASP 110.A OD2 no hydrogen 2.785 N/A LYS 10.A N ARG 78.A O no hydrogen 3.164 N/A VAL 18.A N ASN 54.A O no hydrogen 2.839 N/A GLN 20.A NE2 TRP 21.A O no hydrogen 2.853 N/A GLN 20.A NE2 VAL 57.A O no hydrogen 3.064 N/A LYS 27.A N THR 24.A OG1 no hydrogen 3.388 N/A LYS 27.A NZ GLU 379.A OE2 no hydrogen 2.683 N/A ILE 28.A N THR 24.A O no hydrogen 2.863 N/A LYS 29.A N GLU 25.A O no hydrogen 2.991 N/A LYS 29.A NZ GLU 33.A OE2 no hydrogen 2.793 N/A ALA 30.A N GLU 26.A O no hydrogen 3.155 N/A LEU 31.A N LYS 27.A O no hydrogen 3.031 N/A VAL 32.A N ILE 28.A O no hydrogen 2.860 N/A GLU 33.A N LYS 29.A O no hydrogen 2.965 N/A ILE 34.A N ALA 30.A O no hydrogen 3.075 N/A CYS 35.A N LEU 31.A O no hydrogen 2.933 N/A CYS 35.A SG LEU 31.A O no hydrogen 3.403 N/A THR 36.A N VAL 32.A O no hydrogen 2.863 N/A THR 36.A OG1 VAL 32.A O no hydrogen 3.135 N/A GLU 37.A N GLU 33.A O no hydrogen 3.339 N/A MET 38.A N ILE 34.A O no hydrogen 3.171 N/A GLU 39.A N CYS 35.A O no hydrogen 2.920 N/A LYS 40.A N THR 36.A O no hydrogen 3.294 N/A LYS 40.A NZ GLU 37.A OE2 no hydrogen 3.288 N/A GLU 41.A N GLU 37.A O no hydrogen 2.782 N/A GLY 42.A N GLU 39.A O no hydrogen 2.879 N/A LYS 43.A N MET 38.A O no hydrogen 2.862 N/A ILE 44.A N MET 38.A O no hydrogen 3.346 N/A SER 45.A N GLN 134.A O no hydrogen 2.960 N/A ILE 47.A N ARG 132.A O no hydrogen 2.929 N/A GLU 50.A N GLU 50.A OE1 no hydrogen 2.825 N/A ASN 51.A N GLY 48.A O no hydrogen 3.032 N/A ASN 51.A ND2 LYS 115.A O no hydrogen 3.143 N/A TYR 53.A N ASN 51.A OD1 no hydrogen 2.793 N/A TYR 53.A OH ASP 14.A OD1 no hydrogen 2.540 N/A ASN 54.A N PRO 16.A O no hydrogen 2.999 N/A ASN 54.A ND2 VAL 18.A O no hydrogen 2.245 N/A THR 55.A N ALA 118.A O no hydrogen 3.066 N/A VAL 57.A N GLN 20.A OE1 no hydrogen 2.760 N/A PHE 58.A N LEU 69.A O no hydrogen 2.778 N/A ILE 60.A N ARG 67.A O no hydrogen 3.291 N/A ARG 67.A N ILE 60.A O no hydrogen 2.902 N/A ARG 67.A NH2 GLN 140.A OE1 no hydrogen 3.011 N/A LYS 68.A NZ TYR 135.A OH no hydrogen 2.806 N/A LEU 69.A N PHE 58.A O no hydrogen 2.684 N/A ASP 71.A N PRO 56.A O no hydrogen 3.103 N/A ARG 73.A N ASP 71.A OD1 no hydrogen 3.250 N/A ARG 73.A NE ASP 71.A OD1 no hydrogen 2.707 N/A ARG 73.A NE ASP 71.A OD2 no hydrogen 3.092 N/A ARG 73.A NH1 PRO 387.A O no hydrogen 3.248 N/A ARG 73.A NH2 ASP 71.A OD2 no hydrogen 2.549 N/A ASN 76.A N PHE 72.A O no hydrogen 2.812 N/A ASN 76.A ND2 GLY 141.A O no hydrogen 3.163 N/A LYS 77.A N ARG 73.A O no hydrogen 3.023 N/A ARG 78.A N GLU 74.A O no hydrogen 3.161 N/A ARG 78.A N LEU 75.A O no hydrogen 3.106 N/A ARG 78.A NE GLU 74.A OE2 no hydrogen 2.866 N/A ARG 78.A NH1 ASP 14.A O no hydrogen 2.684 N/A ARG 78.A NH2 GLU 74.A OE2 no hydrogen 3.141 N/A THR 79.A N LEU 75.A O no hydrogen 2.802 N/A THR 79.A OG1 LEU 75.A O no hydrogen 2.887 N/A THR 79.A OG1 ASN 76.A O no hydrogen 3.360 N/A LEU 89.A N PRO 86.A O no hydrogen 3.490 N/A LYS 90.A NZ ALA 87.A O no hydrogen 3.259 N/A LYS 90.A NZ ILE 357.A O no hydrogen 3.492 N/A LYS 91.A N GLY 88.A O no hydrogen 3.028 N/A LYS 92.A N LEU 89.A O no hydrogen 3.073 N/A LYS 92.A NZ ASP 181.A OD2 no hydrogen 2.595 N/A LYS 93.A N ASP 181.A OD1 no hydrogen 2.960 N/A SER 94.A N SER 180.A O no hydrogen 2.843 N/A VAL 95.A N LEU 209.A O no hydrogen 3.179 N/A THR 96.A N VAL 178.A O no hydrogen 2.822 N/A THR 96.A OG1 HIS 187.A NE2 no hydrogen 2.572 N/A VAL 97.A N TYR 207.A O no hydrogen 3.087 N/A LEU 98.A N LEU 176.A O no hydrogen 2.970 N/A VAL 100.A N ASP 174.A O no hydrogen 3.095 N/A TYR 104.A N GLY 101.A O no hydrogen 3.294 N/A TYR 104.A OH MET 173.A O no hydrogen 2.896 N/A PHE 105.A N ASP 102.A O no hydrogen 2.977 N/A SER 106.A N ALA 103.A O no hydrogen 3.148 N/A SER 106.A OG ALA 103.A O no hydrogen 3.096 N/A VAL 107.A N TYR 104.A O no hydrogen 2.871 N/A LEU 109.A N ASN 136.A O no hydrogen 2.834 N/A ASP 112.A N ASP 110.A OD1 no hydrogen 3.045 N/A PHE 113.A N ASP 110.A O no hydrogen 3.158 N/A ARG 114.A N GLU 111.A O no hydrogen 3.357 N/A ARG 114.A NE LEU 109.A O no hydrogen 2.879 N/A ARG 114.A NH1 ASN 136.A OD1 no hydrogen 3.228 N/A ARG 114.A NH2 LEU 109.A O no hydrogen 2.868 N/A TYR 116.A N PHE 113.A O no hydrogen 3.007 N/A THR 117.A N ARG 114.A O no hydrogen 2.976 N/A THR 117.A OG1 ARG 114.A O no hydrogen 3.031 N/A ALA 118.A N LYS 115.A O no hydrogen 3.370 N/A PHE 119.A N TYR 133.A O no hydrogen 2.844 N/A THR 120.A OG1 ASN 54.A OD1 no hydrogen 2.616 N/A ILE 121.A N ILE 131.A O no hydrogen 2.901 N/A SER 123.A OG THR 128.A O no hydrogen 2.550 N/A GLU 127.A N ILE 124.A O no hydrogen 3.042 N/A THR 128.A OG1 PRO 129.A O no hydrogen 2.639 N/A ILE 131.A N ILE 121.A O no hydrogen 3.008 N/A ARG 132.A NH2 ASN 51.A O no hydrogen 3.173 N/A ARG 132.A NH2 TYR 53.A O no hydrogen 2.691 N/A TYR 133.A N PHE 119.A O no hydrogen 3.060 N/A GLN 134.A N SER 45.A O no hydrogen 2.864 N/A TYR 135.A N THR 117.A OG1 no hydrogen 2.861 N/A ASN 136.A N LYS 43.A O no hydrogen 2.694 N/A ASN 136.A ND2 GLY 42.A O no hydrogen 3.155 N/A ASN 136.A ND2 SER 45.A OG no hydrogen 2.713 N/A LEU 138.A N VAL 107.A O no hydrogen 3.012 N/A LYS 143.A N ASN 76.A OD1 no hydrogen 3.175 N/A LYS 143.A NZ ASN 76.A O no hydrogen 3.312 N/A SER 145.A N TRP 142.A O no hydrogen 3.172 N/A SER 145.A OG PRO 139.A O no hydrogen 2.665 N/A SER 145.A OG TRP 142.A O no hydrogen 3.497 N/A ILE 148.A N GLY 144.A O no hydrogen 2.879 N/A PHE 149.A N SER 145.A O no hydrogen 2.935 N/A GLN 150.A N ALA 147.A O no hydrogen 3.260 N/A SER 151.A OG ILE 148.A O no hydrogen 3.269 N/A MET 153.A N PHE 149.A O no hydrogen 2.993 N/A THR 154.A N GLN 150.A O no hydrogen 2.922 N/A THR 154.A OG1 GLN 150.A O no hydrogen 3.211 N/A LYS 155.A N SER 151.A O no hydrogen 3.011 N/A ILE 156.A N SER 152.A O no hydrogen 2.875 N/A LEU 157.A N MET 153.A O no hydrogen 3.116 N/A LEU 157.A N THR 154.A O no hydrogen 3.156 N/A GLU 158.A N THR 154.A O no hydrogen 3.018 N/A GLU 158.A N LYS 155.A O no hydrogen 3.291 N/A LYS 161.A N LEU 157.A O no hydrogen 2.853 N/A LYS 162.A N GLU 158.A O no hydrogen 3.080 N/A GLN 163.A N PRO 159.A O no hydrogen 3.177 N/A ASN 164.A N PHE 160.A O no hydrogen 3.030 N/A ASN 164.A ND2 PHE 160.A O no hydrogen 2.830 N/A ILE 167.A N ASN 164.A O no hydrogen 3.193 N/A VAL 168.A N GLY 179.A O no hydrogen 3.063 N/A TYR 170.A N TYR 177.A O no hydrogen 2.948 N/A TYR 172.A N ASP 175.A O no hydrogen 3.026 N/A ASP 175.A N TYR 172.A O no hydrogen 3.120 N/A LEU 176.A N LEU 98.A O no hydrogen 2.956 N/A TYR 177.A N TYR 170.A O no hydrogen 2.661 N/A VAL 178.A N THR 96.A O no hydrogen 2.830 N/A GLY 179.A N VAL 168.A O no hydrogen 2.798 N/A SER 180.A OG HIS 187.A ND1 no hydrogen 2.310 N/A HIS 187.A N GLU 183.A O no hydrogen 2.611 N/A HIS 187.A ND1 SER 180.A OG no hydrogen 2.310 N/A HIS 187.A NE2 THR 96.A OG1 no hydrogen 2.572 N/A ARG 188.A N ILE 184.A O no hydrogen 2.795 N/A ARG 188.A NE GLU 208.A OE1 no hydrogen 3.131 N/A ARG 188.A NH2 GLU 208.A OE1 no hydrogen 3.040 N/A THR 189.A N GLY 185.A O no hydrogen 3.037 N/A LYS 190.A N GLN 186.A O no hydrogen 2.847 N/A ILE 191.A N HIS 187.A O no hydrogen 2.923 N/A GLU 192.A N ARG 188.A O no hydrogen 2.891 N/A GLU 193.A N THR 189.A O no hydrogen 2.944 N/A LEU 194.A N LYS 190.A O no hydrogen 3.232 N/A ARG 195.A N ILE 191.A O no hydrogen 2.845 N/A ARG 195.A NE GLU 192.A OE2 no hydrogen 3.245 N/A ARG 195.A NH1 THR 205.A O no hydrogen 2.888 N/A GLN 196.A N GLU 192.A O no hydrogen 2.814 N/A GLN 196.A NE2 GLU 192.A OE2 no hydrogen 2.961 N/A HIS 197.A N GLU 193.A O no hydrogen 2.728 N/A HIS 197.A NE2 ILE 156.A O no hydrogen 2.381 N/A LEU 198.A N LEU 194.A O no hydrogen 2.880 N/A LEU 198.A N ARG 195.A O no hydrogen 3.055 N/A LEU 199.A N ARG 195.A O no hydrogen 2.809 N/A ARG 200.A N GLN 196.A O no hydrogen 2.750 N/A GLY 202.A N LEU 199.A O no hydrogen 2.331 N/A LEU 203.A N LEU 198.A O no hydrogen 3.021 N/A LEU 209.A N VAL 95.A O no hydrogen 2.601 N/A HIS 210.A ND1 LYS 93.A O no hydrogen 3.096 N/A LYS 213.A N HIS 210.A O no hydrogen 3.191 N/A THR 228.A OG1 ASP 231.A OD1 no hydrogen 3.130 N/A VAL 229.A N GLU 266.A O no hydrogen 3.098 N/A ASN 230.A N LEU 264.A O no hydrogen 3.417 N/A ILE 232.A N THR 228.A O no hydrogen 2.760 N/A GLN 233.A N VAL 229.A O no hydrogen 2.825 N/A LYS 234.A N ASN 230.A O no hydrogen 2.790 N/A LYS 234.A NZ ASN 230.A OD1 no hydrogen 3.353 N/A LEU 235.A N ASP 231.A O no hydrogen 3.058 N/A VAL 236.A N ILE 232.A O no hydrogen 2.611 N/A GLY 237.A N GLN 233.A O no hydrogen 2.571 N/A LYS 238.A N LYS 234.A O no hydrogen 2.743 N/A LYS 238.A NZ VAL 220.A O no hydrogen 2.655 N/A LEU 239.A N LEU 235.A O no hydrogen 3.076 N/A ASN 240.A N VAL 236.A O no hydrogen 2.868 N/A TRP 241.A N GLY 237.A O no hydrogen 3.156 N/A ALA 242.A N LYS 238.A O no hydrogen 2.996 N/A SER 243.A N ASN 240.A O no hydrogen 3.267 N/A GLN 244.A N TRP 241.A O no hydrogen 3.009 N/A GLN 244.A NE2 TRP 241.A O no hydrogen 2.738 N/A ILE 245.A N ALA 242.A O no hydrogen 3.330 N/A TYR 246.A N ALA 242.A O no hydrogen 3.145 N/A TYR 246.A OH GLU 287.A O no hydrogen 3.251 N/A LYS 250.A N ASN 281.A OD1 no hydrogen 3.420 N/A LEU 254.A N GLU 277.A OE1 no hydrogen 3.269 N/A SER 255.A N VAL 251.A O no hydrogen 2.835 N/A SER 255.A OG VAL 251.A O no hydrogen 2.465 N/A SER 255.A OG ARG 252.A O no hydrogen 3.550 N/A LYS 256.A N ARG 252.A O no hydrogen 2.893 N/A LEU 257.A N LEU 254.A O no hydrogen 3.269 N/A LEU 258.A N SER 255.A O no hydrogen 2.580 N/A ARG 259.A N LYS 256.A O no hydrogen 3.202 N/A THR 261.A OG1 GLY 260.A O no hydrogen 3.061 N/A LYS 262.A NZ ARG 259.A O no hydrogen 2.571 N/A GLU 266.A N ALA 263.A O no hydrogen 3.259 N/A ILE 268.A N TRP 227.A O no hydrogen 3.104 N/A GLU 273.A N GLU 273.A OE1 no hydrogen 2.647 N/A GLU 275.A N THR 271.A O no hydrogen 2.732 N/A LEU 276.A N GLU 272.A O no hydrogen 2.719 N/A GLU 277.A N GLU 273.A O no hydrogen 2.909 N/A GLU 277.A N ALA 274.A O no hydrogen 3.100 N/A LEU 278.A N ALA 274.A O no hydrogen 2.981 N/A ALA 279.A N GLU 275.A O no hydrogen 2.865 N/A ASN 281.A N GLU 277.A O no hydrogen 3.022 N/A ASN 281.A ND2 LYS 250.A O no hydrogen 2.827 N/A ARG 282.A N LEU 278.A O no hydrogen 3.048 N/A ARG 282.A N ALA 279.A O no hydrogen 3.202 N/A ARG 282.A NH1 LEU 221.A O no hydrogen 2.572 N/A ARG 282.A NH2 PRO 222.A O no hydrogen 2.498 N/A GLU 283.A N ALA 279.A O no hydrogen 3.343 N/A GLU 283.A N GLU 280.A O no hydrogen 3.171 N/A ILE 284.A N GLU 280.A O no hydrogen 3.112 N/A LEU 285.A N ASN 281.A O no hydrogen 3.432 N/A GLU 287.A N ILE 284.A O no hydrogen 3.282 N/A ASP 295.A N GLN 318.A OE1 no hydrogen 2.684 N/A SER 297.A N ASP 295.A OD1 no hydrogen 2.709 N/A SER 297.A OG ASP 295.A OD1 no hydrogen 2.423 N/A SER 297.A OG ASP 295.A OD2 no hydrogen 3.421 N/A LYS 298.A N ASP 295.A O no hydrogen 3.320 N/A LYS 298.A NZ GLU 319.A OE2 no hydrogen 3.444 N/A ILE 301.A N TYR 317.A O no hydrogen 2.732 N/A ALA 302.A N LYS 363.A O no hydrogen 2.917 N/A GLU 303.A N GLN 315.A O no hydrogen 2.903 N/A GLN 305.A N THR 313.A O no hydrogen 2.857 N/A GLN 305.A NE2 GLN 315.A OE1 no hydrogen 2.894 N/A LYS 306.A NZ ASP 339.A OD1 no hydrogen 3.313 N/A LYS 306.A NZ ASP 339.A OD2 no hydrogen 2.830 N/A GLN 307.A N GLN 311.A O no hydrogen 2.875 N/A GLN 307.A NE2 THR 313.A OG1 no hydrogen 3.217 N/A GLN 307.A NE2 LYS 399.A O no hydrogen 2.614 N/A GLN 311.A N GLY 308.A O no hydrogen 3.155 N/A TRP 312.A N TYR 329.A O no hydrogen 3.063 N/A TRP 312.A NE1 GLN 342.A OE1 no hydrogen 2.734 N/A THR 313.A N GLN 305.A O no hydrogen 2.993 N/A THR 313.A OG1 GLN 305.A OE1 no hydrogen 2.666 N/A TYR 314.A N GLY 327.A O no hydrogen 3.049 N/A TYR 314.A OH GLU 353.A OE1 no hydrogen 3.062 N/A GLN 315.A N GLU 303.A O no hydrogen 2.964 N/A GLN 315.A NE2 GLN 305.A OE1 no hydrogen 2.622 N/A ILE 316.A N LYS 325.A O no hydrogen 2.931 N/A TYR 317.A N ILE 301.A O no hydrogen 2.867 N/A TYR 317.A OH GLU 303.A OE2 no hydrogen 2.650 N/A GLN 318.A NE2 ASP 295.A O no hydrogen 2.868 N/A GLN 318.A NE2 ASP 299.A O no hydrogen 3.452 N/A LYS 322.A N GLU 319.A O no hydrogen 2.808 N/A LEU 324.A N ILE 316.A O no hydrogen 2.837 N/A LYS 325.A N ILE 316.A O no hydrogen 3.298 N/A LYS 325.A NZ TYR 314.A OH no hydrogen 3.020 N/A LYS 325.A NZ THR 326.A O no hydrogen 3.375 N/A THR 326.A OG1 GLN 217.A O no hydrogen 3.311 N/A GLY 327.A N TYR 314.A O no hydrogen 3.180 N/A LYS 328.A NZ GLN 403.A OXT no hydrogen 3.149 N/A TYR 329.A N TRP 312.A O no hydrogen 2.720 N/A TYR 329.A OH.A TYR 314.A OH no hydrogen 3.313 N/A TYR 329.A OH.A GLU 353.A OE2 no hydrogen 2.520 N/A TYR 329.A OH.B GLU 345.A OE1 no hydrogen 2.743 N/A ARG 331.A N GLY 310.A O no hydrogen 3.181 N/A GLY 334.A N MET 332.A O no hydrogen 2.468 N/A HIS 336.A N ARG 333.A O no hydrogen 2.651 N/A LYS 341.A N ASN 338.A OD1 no hydrogen 2.586 N/A GLN 342.A N ASN 338.A O no hydrogen 2.887 N/A LEU 343.A N ASP 339.A O no hydrogen 2.799 N/A THR 344.A N VAL 340.A O no hydrogen 2.961 N/A THR 344.A OG1 VAL 340.A O no hydrogen 2.828 N/A GLU 345.A N LYS 341.A O no hydrogen 2.892 N/A ALA 346.A N GLN 342.A O no hydrogen 2.819 N/A VAL 347.A N LEU 343.A O no hydrogen 2.790 N/A GLN 348.A N THR 344.A O no hydrogen 3.173 N/A GLN 348.A NE2 THR 344.A O no hydrogen 3.173 N/A LYS 349.A N GLU 345.A O no hydrogen 3.048 N/A ILE 350.A N ALA 346.A O no hydrogen 2.958 N/A THR 351.A N VAL 347.A O no hydrogen 3.003 N/A THR 351.A OG1 VAL 347.A O no hydrogen 3.037 N/A THR 352.A N GLN 348.A O no hydrogen 2.883 N/A THR 352.A OG1 GLN 348.A O no hydrogen 3.287 N/A GLU 353.A N LYS 349.A O no hydrogen 2.935 N/A SER 354.A N ILE 350.A O no hydrogen 2.805 N/A SER 354.A OG LYS 360.A O no hydrogen 2.606 N/A ILE 355.A N THR 351.A O no hydrogen 2.669 N/A VAL 356.A N THR 352.A O no hydrogen 2.739 N/A ILE 357.A N GLU 353.A O no hydrogen 3.190 N/A TRP 358.A N SER 354.A O no hydrogen 3.038 N/A GLY 359.A N ILE 355.A O no hydrogen 2.637 N/A LYS 360.A NZ PRO 296.A O no hydrogen 3.130 N/A LYS 360.A NZ LYS 298.A O no hydrogen 3.000 N/A LYS 363.A N LEU 300.A O no hydrogen 2.718 N/A LYS 363.A NZ GLU 390.A OE1 no hydrogen 2.889 N/A PHE 364.A N GLU 388.A O no hydrogen 2.980 N/A LYS 365.A N ALA 302.A O no hydrogen 3.012 N/A LYS 365.A NZ GLU 390.A OE2 no hydrogen 2.641 N/A LEU 366.A N GLU 390.A O no hydrogen 2.816 N/A ILE 368.A N LEU 366.A O no hydrogen 2.926 N/A GLN 369.A NE2 GLU 371.A OE1 no hydrogen 2.661 N/A THR 372.A OG1 GLN 369.A OE1 no hydrogen 3.308 N/A TRP 373.A N GLN 369.A O no hydrogen 3.156 N/A GLU 374.A N LYS 370.A O no hydrogen 3.017 N/A THR 375.A N THR 372.A O no hydrogen 3.319 N/A THR 375.A OG1 GLU 371.A O no hydrogen 2.893 N/A TRP 376.A N THR 372.A O no hydrogen 3.243 N/A TRP 376.A N TRP 373.A O no hydrogen 3.031 N/A TRP 377.A N TRP 373.A O no hydrogen 2.963 N/A GLU 379.A N TRP 376.A O no hydrogen 3.110 N/A TRP 381.A NE1 TRP 385.A O no hydrogen 3.180 N/A GLN 382.A N GLN 348.A OE1 no hydrogen 2.959 N/A ALA 383.A N GLN 348.A OE1 no hydrogen 3.061 N/A GLU 390.A N PHE 364.A O no hydrogen 2.785 N/A VAL 392.A N LEU 366.A O no hydrogen 3.028 N/A THR 394.A OG1 ILE 304.A O no hydrogen 3.501 N/A TYR 402.A N VAL 398.A O no hydrogen 3.387 N/A GLN 403.A N LEU 400.A O no hydrogen 3.176 N/A