Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3m8q_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N ASP 114.A OD2 no hydrogen 3.103 N/A VAL 17.A N ASN 53.A O no hydrogen 3.022 N/A GLN 19.A NE2 TRP 20.A O no hydrogen 3.207 N/A GLN 19.A NE2 VAL 56.A O no hydrogen 2.894 N/A LYS 26.A NZ GLU 25.A OE2 no hydrogen 3.397 N/A LYS 26.A NZ GLU 374.A OE1 no hydrogen 3.325 N/A LYS 26.A NZ GLU 374.A OE2 no hydrogen 3.124 N/A ILE 27.A N THR 23.A O no hydrogen 3.011 N/A LYS 28.A N GLU 24.A O no hydrogen 3.075 N/A LYS 28.A NZ GLU 24.A OE1 no hydrogen 2.782 N/A ALA 29.A N GLU 25.A O no hydrogen 3.116 N/A LEU 30.A N LYS 26.A O no hydrogen 3.113 N/A VAL 31.A N ILE 27.A O no hydrogen 2.988 N/A GLU 32.A N LYS 28.A O no hydrogen 3.125 N/A ILE 33.A N ALA 29.A O no hydrogen 3.131 N/A CYS 34.A N LEU 30.A O no hydrogen 2.855 N/A CYS 34.A SG LEU 30.A O no hydrogen 3.386 N/A THR 35.A N VAL 31.A O no hydrogen 2.940 N/A THR 35.A OG1 VAL 31.A O no hydrogen 2.759 N/A GLU 36.A N GLU 32.A O no hydrogen 3.309 N/A MET 37.A N ILE 33.A O no hydrogen 3.008 N/A GLU 38.A N CYS 34.A O no hydrogen 2.904 N/A LYS 39.A N THR 35.A O no hydrogen 3.057 N/A LYS 39.A NZ GLU 36.A OE2 no hydrogen 3.314 N/A GLU 40.A N GLU 36.A O no hydrogen 3.016 N/A GLY 41.A N GLU 38.A O no hydrogen 2.874 N/A LYS 42.A N MET 37.A O no hydrogen 2.746 N/A LYS 42.A NZ GLU 40.A OE1 no hydrogen 3.012 N/A ILE 43.A N MET 37.A O no hydrogen 3.449 N/A SER 44.A N GLN 138.A O no hydrogen 2.996 N/A SER 44.A OG ASN 140.A OD1 no hydrogen 2.849 N/A ILE 46.A N ARG 136.A O no hydrogen 3.140 N/A GLU 49.A N GLU 49.A OE1 no hydrogen 2.897 N/A ASN 50.A N GLY 47.A O no hydrogen 3.470 N/A ASN 50.A ND2 LYS 119.A O no hydrogen 3.042 N/A ASN 50.A ND2 GLN 138.A OE1 no hydrogen 3.121 N/A TYR 52.A N ASN 50.A OD1 no hydrogen 3.244 N/A TYR 52.A OH ASP 13.A OD1 no hydrogen 2.660 N/A ASN 53.A N PRO 15.A O no hydrogen 2.800 N/A ASN 53.A ND2 VAL 17.A O no hydrogen 2.764 N/A THR 54.A N ALA 122.A O no hydrogen 2.850 N/A VAL 56.A N GLN 19.A OE1 no hydrogen 2.771 N/A PHE 57.A N LEU 67.A O no hydrogen 2.732 N/A ILE 59.A N ARG 65.A O no hydrogen 2.776 N/A LYS 60.A NZ THR 62.A O no hydrogen 2.799 N/A ARG 65.A N ILE 59.A O no hydrogen 2.720 N/A ARG 65.A NH2 ASP 103.A OD1 no hydrogen 3.226 N/A ARG 65.A NH2 ASP 103.A OD2 no hydrogen 3.039 N/A LYS 66.A NZ TYR 139.A OH no hydrogen 2.729 N/A LEU 67.A N PHE 57.A O no hydrogen 2.745 N/A ASP 69.A N PRO 55.A O no hydrogen 2.928 N/A ARG 71.A N ASP 69.A OD1 no hydrogen 3.435 N/A ARG 71.A NE ASP 69.A OD1 no hydrogen 2.802 N/A ARG 71.A NH1 PRO 382.A O no hydrogen 2.728 N/A ARG 71.A NH2 ASP 69.A OD2 no hydrogen 3.025 N/A ASN 74.A N PHE 70.A O no hydrogen 2.733 N/A ASN 74.A ND2 GLY 145.A O no hydrogen 3.379 N/A LYS 75.A N ARG 71.A O no hydrogen 3.067 N/A LYS 75.A NZ GLU 72.A OE2 no hydrogen 3.340 N/A ARG 76.A N GLU 72.A O no hydrogen 2.932 N/A ARG 76.A NE GLU 72.A OE1 no hydrogen 2.723 N/A ARG 76.A NH1 ASP 13.A O no hydrogen 2.758 N/A ARG 76.A NH2 GLU 72.A OE1 no hydrogen 2.956 N/A THR 77.A N ASN 74.A O no hydrogen 3.280 N/A THR 77.A OG1 LEU 73.A O no hydrogen 2.652 N/A GLN 78.A NE2 GLU 82.A OE1 no hydrogen 3.304 N/A GLN 78.A NE2 GLU 82.A OE2 no hydrogen 3.494 N/A PHE 80.A N THR 77.A O no hydrogen 2.982 N/A TRP 81.A NE1 ASN 74.A O no hydrogen 2.718 N/A GLU 82.A N GLN 78.A O no hydrogen 2.952 N/A GLN 84.A N ASP 79.A O no hydrogen 2.887 N/A LEU 85.A N PHE 80.A O no hydrogen 2.841 N/A HIS 89.A NE2 VAL 351.A O no hydrogen 2.789 N/A LEU 93.A N PRO 90.A O no hydrogen 3.366 N/A LYS 94.A NZ ALA 91.A O no hydrogen 3.249 N/A LYS 95.A N GLY 92.A O no hydrogen 2.946 N/A LYS 96.A N LEU 93.A O no hydrogen 3.348 N/A LYS 96.A NZ ASP 170.A O no hydrogen 2.904 N/A LYS 96.A NZ ASP 185.A OD2 no hydrogen 3.279 N/A LYS 97.A N ASP 185.A OD1 no hydrogen 3.272 N/A LYS 97.A NZ LEU 186.A O no hydrogen 3.451 N/A SER 98.A N SER 184.A O no hydrogen 3.098 N/A VAL 99.A N LEU 213.A O no hydrogen 2.754 N/A THR 100.A N VAL 182.A O no hydrogen 2.774 N/A THR 100.A OG1 HIS 191.A NE2 no hydrogen 2.710 N/A LEU 102.A N LEU 180.A O no hydrogen 3.019 N/A VAL 104.A N ASP 178.A O no hydrogen 2.692 N/A ALA 107.A N VAL 104.A O no hydrogen 3.118 N/A TYR 108.A N GLY 105.A O no hydrogen 3.288 N/A TYR 108.A OH GLN 175.A OE1 no hydrogen 3.090 N/A TYR 108.A OH MET 177.A O no hydrogen 2.594 N/A VAL 111.A N TYR 108.A O no hydrogen 3.318 N/A LEU 113.A N ASN 140.A O no hydrogen 2.895 N/A PHE 117.A N ASP 114.A O no hydrogen 2.764 N/A ARG 118.A N ASP 114.A O no hydrogen 3.085 N/A ARG 118.A NE LEU 113.A O no hydrogen 2.751 N/A ARG 118.A NH2 LEU 113.A O no hydrogen 3.310 N/A TYR 120.A N PHE 117.A O no hydrogen 2.943 N/A THR 121.A N ARG 118.A O no hydrogen 3.004 N/A THR 121.A OG1 ARG 118.A O no hydrogen 2.522 N/A ALA 122.A N LYS 119.A O no hydrogen 3.421 N/A PHE 123.A N TYR 137.A O no hydrogen 2.989 N/A THR 124.A OG1 ASN 53.A OD1 no hydrogen 2.560 N/A ILE 125.A N ILE 135.A O no hydrogen 2.817 N/A SER 127.A OG THR 132.A O no hydrogen 2.962 N/A ASN 129.A ND2 GLU 131.A OE2 no hydrogen 3.566 N/A ASN 130.A N SER 127.A O no hydrogen 3.400 N/A GLU 131.A N ILE 128.A O no hydrogen 3.306 N/A THR 132.A N SER 127.A OG no hydrogen 3.009 N/A ARG 136.A NH1 TYR 52.A O no hydrogen 3.069 N/A ARG 136.A NH1 THR 124.A OG1 no hydrogen 3.094 N/A ARG 136.A NH2 ASN 50.A O no hydrogen 2.837 N/A ARG 136.A NH2 TYR 52.A O no hydrogen 2.772 N/A TYR 137.A N PHE 123.A O no hydrogen 3.165 N/A GLN 138.A N SER 44.A O no hydrogen 3.103 N/A TYR 139.A N THR 121.A OG1 no hydrogen 2.917 N/A ASN 140.A N LYS 42.A O no hydrogen 2.789 N/A ASN 140.A ND2 GLY 41.A O no hydrogen 3.035 N/A ASN 140.A ND2 SER 44.A OG no hydrogen 2.621 N/A LEU 142.A N VAL 111.A O no hydrogen 3.055 N/A GLY 145.A N ASP 178.A OD1 no hydrogen 3.276 N/A LYS 147.A N ASN 74.A OD1 no hydrogen 2.764 N/A SER 149.A N TRP 146.A O no hydrogen 3.340 N/A SER 149.A OG PRO 143.A O no hydrogen 2.589 N/A SER 149.A OG TRP 146.A O no hydrogen 3.499 N/A ILE 152.A N GLY 148.A O no hydrogen 3.003 N/A PHE 153.A N SER 149.A O no hydrogen 3.025 N/A GLN 154.A N PRO 150.A O no hydrogen 2.798 N/A GLN 154.A NE2 LEU 85.A O no hydrogen 2.696 N/A GLN 154.A NE2 ALA 151.A O no hydrogen 3.186 N/A SER 155.A OG ILE 152.A O no hydrogen 3.214 N/A MET 157.A N PHE 153.A O no hydrogen 2.927 N/A THR 158.A N GLN 154.A O no hydrogen 2.881 N/A THR 158.A OG1 GLN 154.A O no hydrogen 3.022 N/A ILE 160.A N SER 156.A O no hydrogen 3.216 N/A LEU 161.A N MET 157.A O no hydrogen 2.947 N/A GLU 162.A N THR 158.A O no hydrogen 2.751 N/A ARG 165.A N LEU 161.A O no hydrogen 2.892 N/A ARG 165.A NH2 ILE 173.A O no hydrogen 3.206 N/A LYS 166.A N GLU 162.A O no hydrogen 3.143 N/A GLN 167.A N PRO 163.A O no hydrogen 2.884 N/A ASN 168.A ND2 PHE 164.A O no hydrogen 3.349 N/A ILE 171.A N ASN 168.A O no hydrogen 3.418 N/A VAL 172.A N GLY 183.A O no hydrogen 2.872 N/A TYR 174.A N TYR 181.A O no hydrogen 2.759 N/A TYR 176.A N ASP 179.A O no hydrogen 2.896 N/A ASP 179.A N TYR 176.A O no hydrogen 3.031 N/A LEU 180.A N LEU 102.A O no hydrogen 2.908 N/A TYR 181.A N TYR 174.A O no hydrogen 2.662 N/A VAL 182.A N THR 100.A O no hydrogen 2.879 N/A GLY 183.A N VAL 172.A O no hydrogen 2.782 N/A SER 184.A N SER 98.A O no hydrogen 3.026 N/A SER 184.A OG HIS 191.A ND1 no hydrogen 2.613 N/A LEU 186.A N SER 184.A OG no hydrogen 3.320 N/A HIS 191.A N GLU 187.A O no hydrogen 2.788 N/A HIS 191.A ND1 SER 184.A OG no hydrogen 2.613 N/A HIS 191.A NE2 THR 100.A OG1 no hydrogen 2.710 N/A ARG 192.A N ILE 188.A O no hydrogen 3.005 N/A ARG 192.A NE GLU 212.A OE2 no hydrogen 2.900 N/A ARG 192.A NH2 GLU 212.A OE1 no hydrogen 3.321 N/A THR 193.A N GLY 189.A O no hydrogen 3.153 N/A THR 193.A OG1 GLY 189.A O no hydrogen 2.673 N/A LYS 194.A N GLN 190.A O no hydrogen 2.994 N/A LYS 194.A NZ ASN 168.A OD1 no hydrogen 2.962 N/A ILE 195.A N HIS 191.A O no hydrogen 3.009 N/A GLU 196.A N ARG 192.A O no hydrogen 3.117 N/A GLU 197.A N THR 193.A O no hydrogen 3.075 N/A LEU 198.A N LYS 194.A O no hydrogen 3.003 N/A ARG 199.A N ILE 195.A O no hydrogen 2.926 N/A ARG 199.A NH1 GLU 196.A OE1 no hydrogen 3.006 N/A GLN 200.A N GLU 196.A O no hydrogen 3.291 N/A GLN 200.A NE2 GLU 196.A OE2 no hydrogen 2.765 N/A HIS 201.A N GLU 197.A O no hydrogen 3.377 N/A HIS 201.A ND1 GLU 197.A O no hydrogen 2.869 N/A LEU 202.A N LEU 198.A O no hydrogen 3.135 N/A LEU 203.A N ARG 199.A O no hydrogen 2.774 N/A ARG 204.A N GLN 200.A O no hydrogen 3.402 N/A ARG 204.A NH1 GLN 200.A O no hydrogen 3.173 N/A ARG 204.A NH1 GLN 200.A OE1 no hydrogen 2.836 N/A GLY 206.A N LEU 203.A O no hydrogen 3.205 N/A LEU 213.A N VAL 99.A O no hydrogen 2.713 N/A HIS 214.A ND1 LYS 97.A O no hydrogen 2.813 N/A LYS 217.A N HIS 214.A O no hydrogen 3.265 N/A TRP 218.A N PRO 215.A O no hydrogen 3.127 N/A GLN 221.A N THR 327.A O no hydrogen 3.077 N/A THR 232.A N ASP 235.A OD2 no hydrogen 2.803 N/A THR 232.A OG1 ASP 235.A OD2 no hydrogen 2.806 N/A VAL 233.A N GLU 267.A O no hydrogen 2.910 N/A ASN 234.A N LEU 265.A O no hydrogen 3.213 N/A ILE 236.A N THR 232.A O no hydrogen 3.200 N/A GLN 237.A N VAL 233.A O no hydrogen 3.044 N/A LYS 238.A N ASN 234.A O no hydrogen 2.925 N/A LEU 239.A N ASP 235.A O no hydrogen 3.016 N/A VAL 240.A N ILE 236.A O no hydrogen 2.595 N/A GLY 241.A N GLN 237.A O no hydrogen 3.021 N/A LYS 242.A N LYS 238.A O no hydrogen 3.008 N/A LYS 242.A NZ LEU 395.A O no hydrogen 3.046 N/A LEU 243.A N LEU 239.A O no hydrogen 3.042 N/A ASN 244.A N VAL 240.A O no hydrogen 2.873 N/A TRP 245.A N GLY 241.A O no hydrogen 3.126 N/A ALA 246.A N LYS 242.A O no hydrogen 3.147 N/A SER 247.A N LEU 243.A O no hydrogen 2.923 N/A SER 247.A OG ASN 244.A O no hydrogen 2.451 N/A GLN 248.A N TRP 245.A O no hydrogen 3.396 N/A ILE 249.A N ALA 246.A O no hydrogen 3.059 N/A TYR 250.A N ALA 246.A O no hydrogen 2.818 N/A LYS 254.A N ASN 282.A OD1 no hydrogen 3.280 N/A GLN 257.A N GLU 278.A OE2 no hydrogen 3.073 N/A CYS 259.A N VAL 255.A O no hydrogen 3.099 N/A CYS 259.A SG VAL 255.A O no hydrogen 3.493 N/A LYS 260.A N ARG 256.A O no hydrogen 3.315 N/A GLU 267.A N ALA 264.A O no hydrogen 3.369 N/A ILE 269.A N TRP 231.A O no hydrogen 3.090 N/A THR 272.A OG1 GLU 273.A OE2 no hydrogen 2.686 N/A GLU 276.A N THR 272.A O no hydrogen 2.928 N/A LEU 277.A N GLU 273.A O no hydrogen 3.254 N/A GLU 278.A N GLU 274.A O no hydrogen 2.928 N/A LEU 279.A N ALA 275.A O no hydrogen 2.973 N/A ALA 280.A N GLU 276.A O no hydrogen 3.163 N/A GLU 281.A N LEU 277.A O no hydrogen 2.803 N/A ASN 282.A N GLU 278.A O no hydrogen 2.849 N/A ASN 282.A ND2 LYS 254.A O no hydrogen 3.119 N/A ARG 283.A N LEU 279.A O no hydrogen 3.033 N/A ARG 283.A NH2 LEU 225.A O no hydrogen 3.442 N/A GLU 284.A N ALA 280.A O no hydrogen 3.351 N/A ILE 285.A N GLU 281.A O no hydrogen 3.378 N/A LEU 286.A N ASN 282.A O no hydrogen 3.046 N/A ASP 296.A N GLN 319.A OE1 no hydrogen 2.740 N/A SER 298.A N ASP 296.A OD1 no hydrogen 2.976 N/A SER 298.A OG ASP 296.A OD1 no hydrogen 2.549 N/A SER 298.A OG ASP 296.A OD2 no hydrogen 3.473 N/A LYS 299.A N ASP 296.A O no hydrogen 3.084 N/A ILE 302.A N TYR 318.A O no hydrogen 2.717 N/A ALA 303.A N LYS 358.A O no hydrogen 2.796 N/A GLU 304.A N GLN 316.A O no hydrogen 2.994 N/A GLN 306.A N THR 314.A O no hydrogen 2.874 N/A GLN 306.A NE2 GLN 316.A OE1 no hydrogen 2.664 N/A LYS 307.A NZ ASP 334.A OD1 no hydrogen 3.507 N/A LYS 307.A NZ ASP 334.A OD2 no hydrogen 2.747 N/A GLN 308.A N GLN 312.A O no hydrogen 2.799 N/A GLN 308.A NE2 THR 314.A OG1 no hydrogen 2.863 N/A GLN 308.A NE2 LYS 394.A O no hydrogen 2.660 N/A GLN 312.A N GLY 309.A O no hydrogen 3.297 N/A TRP 313.A N TYR 330.A O no hydrogen 3.038 N/A TRP 313.A NE1 GLN 337.A OE1 no hydrogen 2.994 N/A THR 314.A N GLN 306.A O no hydrogen 2.977 N/A THR 314.A OG1 GLN 306.A OE1 no hydrogen 2.781 N/A TYR 315.A N GLY 328.A O no hydrogen 3.061 N/A TYR 315.A OH GLU 348.A OE1 no hydrogen 2.560 N/A GLN 316.A N GLU 304.A O no hydrogen 3.089 N/A GLN 316.A NE2 GLN 306.A OE1 no hydrogen 2.767 N/A ILE 317.A N LYS 326.A O no hydrogen 2.770 N/A TYR 318.A N ILE 302.A O no hydrogen 2.888 N/A TYR 318.A OH GLU 304.A OE1 no hydrogen 2.585 N/A GLN 319.A NE2 ASP 296.A O no hydrogen 2.683 N/A GLN 319.A NE2 LYS 299.A O no hydrogen 2.782 N/A LYS 323.A N GLU 320.A O no hydrogen 3.119 N/A ASN 324.A ND2 TYR 397.A OH no hydrogen 2.996 N/A LEU 325.A N ILE 317.A O no hydrogen 2.712 N/A LYS 326.A N ILE 317.A O no hydrogen 3.368 N/A LYS 326.A NZ TYR 315.A OH no hydrogen 3.293 N/A LYS 326.A NZ GLU 348.A OE1 no hydrogen 3.239 N/A THR 327.A OG1 GLN 221.A O no hydrogen 3.052 N/A GLY 328.A N TYR 315.A O no hydrogen 3.018 N/A LYS 329.A NZ GLN 221.A OE1 no hydrogen 3.043 N/A TYR 330.A N TRP 313.A O no hydrogen 2.858 N/A TYR 330.A OH GLU 340.A OE1 no hydrogen 2.585 N/A ASN 333.A ND2 TYR 375.A OH no hydrogen 3.310 N/A LYS 336.A N ASN 333.A OD1 no hydrogen 3.138 N/A LYS 336.A NZ THR 332.A OG1 no hydrogen 3.236 N/A GLN 337.A N ASN 333.A O no hydrogen 3.031 N/A LEU 338.A N ASP 334.A O no hydrogen 2.999 N/A THR 339.A N VAL 335.A O no hydrogen 2.850 N/A THR 339.A OG1 VAL 335.A O no hydrogen 3.446 N/A THR 339.A OG1 LYS 336.A O no hydrogen 2.700 N/A GLU 340.A N LYS 336.A O no hydrogen 3.136 N/A ALA 341.A N GLN 337.A O no hydrogen 3.018 N/A VAL 342.A N LEU 338.A O no hydrogen 2.938 N/A GLN 343.A N THR 339.A O no hydrogen 3.078 N/A GLN 343.A NE2 THR 339.A O no hydrogen 3.023 N/A LYS 344.A N GLU 340.A O no hydrogen 3.038 N/A LYS 344.A NZ LYS 329.A O no hydrogen 2.751 N/A ILE 345.A N ALA 341.A O no hydrogen 2.827 N/A THR 346.A N VAL 342.A O no hydrogen 2.894 N/A THR 346.A OG1 VAL 342.A O no hydrogen 2.602 N/A THR 347.A N GLN 343.A O no hydrogen 2.860 N/A THR 347.A OG1 GLN 343.A O no hydrogen 2.890 N/A GLU 348.A N LYS 344.A O no hydrogen 3.129 N/A SER 349.A N ILE 345.A O no hydrogen 2.908 N/A SER 349.A OG LYS 355.A O no hydrogen 2.731 N/A ILE 350.A N THR 346.A O no hydrogen 2.933 N/A VAL 351.A N THR 347.A O no hydrogen 3.193 N/A ILE 352.A N GLU 348.A O no hydrogen 2.937 N/A TRP 353.A N SER 349.A O no hydrogen 2.949 N/A GLY 354.A N ILE 350.A O no hydrogen 2.953 N/A LYS 355.A NZ PRO 297.A O no hydrogen 3.461 N/A LYS 355.A NZ LYS 299.A O no hydrogen 2.893 N/A LYS 358.A N LEU 301.A O no hydrogen 2.793 N/A PHE 359.A N GLU 383.A O no hydrogen 2.875 N/A LYS 360.A N ALA 303.A O no hydrogen 2.831 N/A LEU 361.A N GLU 385.A O no hydrogen 2.955 N/A ILE 363.A N LEU 361.A O no hydrogen 2.911 N/A GLN 364.A NE2 GLU 366.A OE1 no hydrogen 3.137 N/A TRP 368.A N GLN 364.A O no hydrogen 3.198 N/A GLU 369.A N LYS 365.A O no hydrogen 2.846 N/A THR 370.A N GLU 366.A O no hydrogen 3.079 N/A THR 370.A OG1 GLU 366.A O no hydrogen 2.638 N/A TRP 371.A N THR 367.A O no hydrogen 3.131 N/A TRP 372.A N TRP 368.A O no hydrogen 2.828 N/A GLU 374.A N TRP 371.A O no hydrogen 2.984 N/A TYR 375.A N TRP 372.A O no hydrogen 3.454 N/A TRP 376.A N TRP 372.A O no hydrogen 3.017 N/A TRP 376.A NE1 TRP 380.A O no hydrogen 2.926 N/A GLN 377.A N GLN 343.A OE1 no hydrogen 2.880 N/A GLN 377.A NE2 LYS 60.A O no hydrogen 2.782 N/A GLN 377.A NE2 TRP 376.A O no hydrogen 3.342 N/A ALA 378.A N GLN 343.A OE1 no hydrogen 3.074 N/A THR 379.A OG1 ASP 179.A OD2 no hydrogen 3.006 N/A GLU 385.A N PHE 359.A O no hydrogen 2.898 N/A VAL 387.A N LEU 361.A O no hydrogen 2.919 N/A THR 389.A OG1 ILE 305.A O no hydrogen 3.535 N/A LYS 394.A NZ LYS 307.A O no hydrogen 2.713 N/A TRP 396.A N LEU 392.A O no hydrogen 3.024 N/A