Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ubh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N ASP 86.A OD1 no hydrogen 2.649 N/A ARG 4.A N ASN 87.A O no hydrogen 2.798 N/A ARG 4.A NE ASP 86.A OD2 no hydrogen 2.951 N/A ARG 4.A NH1 GLU 33.A OE1 no hydrogen 2.886 N/A ARG 4.A NH2 GLU 33.A OE1 no hydrogen 3.517 N/A ARG 4.A NH2 GLU 33.A OE2 no hydrogen 2.843 N/A ARG 4.A NH2 ASP 86.A OD2 no hydrogen 3.003 N/A LYS 7.A N ARG 89.A O no hydrogen 2.879 N/A LYS 7.A NZ GLU 27.A OE1 no hydrogen 2.924 N/A ILE 9.A N ILE 91.A O no hydrogen 3.119 N/A PHE 11.A N LEU 93.A O no hydrogen 2.895 N/A THR 12.A N ASP 15.A OD2 no hydrogen 2.855 N/A THR 12.A OG1 ASP 15.A OD2 no hydrogen 3.565 N/A GLU 13.A N LYS 95.A O no hydrogen 2.988 N/A ASP 15.A N THR 12.A O no hydrogen 2.950 N/A GLY 16.A N GLU 13.A O no hydrogen 2.767 N/A THR 18.A OG1 ASP 17.A OD1 no hydrogen 2.971 N/A GLY 20.A N VAL 54.A O no hydrogen 2.824 N/A LYS 21.A N THR 18.A O no hydrogen 3.066 N/A LYS 21.A NZ ASP 15.A O no hydrogen 2.758 N/A VAL 23.A N VAL 52.A O no hydrogen 2.962 N/A LEU 26.A N GLY 50.A O no hydrogen 2.967 N/A GLU 29.A N GLU 33.A OE1 no hydrogen 2.924 N/A LYS 32.A NZ HIS 78.A O no hydrogen 3.520 N/A THR 34.A N THR 76.A O no hydrogen 2.956 N/A PHE 35.A N THR 48.A O no hydrogen 2.875 N/A LYS 36.A N ILE 74.A O no hydrogen 3.021 N/A LYS 36.A NZ ILE 37.A O no hydrogen 3.171 N/A ARG 38.A N TRP 72.A O no hydrogen 2.851 N/A TRP 43.A N ASN 41.A OD1 no hydrogen 2.639 N/A VAL 44.A N ASN 41.A OD1 no hydrogen 3.215 N/A THR 45.A N ARG 53.A O no hydrogen 2.700 N/A GLU 47.A N ALA 51.A O no hydrogen 2.891 N/A GLY 50.A N GLU 47.A O no hydrogen 3.124 N/A ALA 51.A N ASN 49.A OD1 no hydrogen 2.963 N/A VAL 52.A N PHE 24.A O no hydrogen 2.947 N/A ARG 53.A N THR 45.A O no hydrogen 2.941 N/A ARG 53.A NE GLY 20.A O no hydrogen 2.747 N/A ARG 53.A NH1 GLU 47.A OE2 no hydrogen 2.939 N/A ARG 53.A NH2 GLY 20.A O no hydrogen 3.245 N/A VAL 54.A N LYS 21.A O no hydrogen 2.950 N/A LYS 55.A N TRP 43.A O no hydrogen 2.791 N/A LYS 55.A NZ ASN 41.A O no hydrogen 3.313 N/A LYS 56.A N PRO 42.A O no hydrogen 3.215 N/A LYS 56.A NZ GLU 62.A OE1 no hydrogen 3.378 N/A TRP 58.A N GLY 16.A O no hydrogen 2.847 N/A TRP 58.A NE1 TRP 43.A O no hydrogen 3.047 N/A TYR 60.A N GLU 13.A OE2 no hydrogen 2.762 N/A GLU 61.A N ASP 59.A OD1 no hydrogen 3.090 N/A GLU 62.A N ASP 59.A O no hydrogen 3.162 N/A LEU 63.A N TYR 60.A O no hydrogen 3.382 N/A LYS 67.A N GLY 64.A O no hydrogen 3.032 N/A LYS 67.A NZ TYR 60.A O no hydrogen 2.814 N/A LYS 67.A NZ LEU 63.A O no hydrogen 3.229 N/A ILE 69.A N ILE 92.A O no hydrogen 3.027 N/A PHE 71.A N VAL 90.A O no hydrogen 2.915 N/A VAL 73.A N GLN 88.A O no hydrogen 2.693 N/A ILE 74.A N LYS 36.A O no hydrogen 2.708 N/A ILE 75.A N ASP 86.A O no hydrogen 2.868 N/A THR 76.A N THR 34.A O no hydrogen 2.850 N/A ASN 77.A N TYR 84.A O no hydrogen 3.061 N/A ILE 82.A N ALA 80.A O no hydrogen 3.067 N/A TYR 84.A N ASN 77.A O no hydrogen 3.301 N/A TYR 84.A OH GLU 33.A OE2 no hydrogen 2.683 N/A ASP 86.A N ILE 75.A O no hydrogen 2.735 N/A ASN 87.A N ALA 2.A O no hydrogen 2.952 N/A GLN 88.A N VAL 73.A O no hydrogen 2.921 N/A GLN 88.A NE2 PRO 5.A O no hydrogen 2.773 N/A ARG 89.A NE ASP 70.A OD1 no hydrogen 3.080 N/A ARG 89.A NH2 ASP 70.A OD2 no hydrogen 3.279 N/A VAL 90.A N PHE 71.A O no hydrogen 2.646 N/A ILE 91.A N LYS 7.A O no hydrogen 2.944 N/A ILE 92.A N ILE 69.A O no hydrogen 2.980 N/A LEU 93.A N ILE 9.A O no hydrogen 2.732 N/A VAL 94.A N LYS 67.A O no hydrogen 3.011 N/A LYS 95.A N PHE 11.A O no hydrogen 2.658 N/A VAL 97.A N GLU 13.A OE1 no hydrogen 3.061 N/A ASN 98.A ND2 ASP 183.A OD1 no hydrogen 3.519 N/A ASN 98.A ND2 ASP 183.A OD2 no hydrogen 2.787 N/A ASP 99.A N ASP 134.A OD2 no hydrogen 3.215 N/A GLU 100.A N ASP 134.A OD1 no hydrogen 2.980 N/A TYR 103.A N ARG 131.A O no hydrogen 2.876 N/A ILE 105.A N GLN 129.A O no hydrogen 2.820 N/A ASN 106.A ND2 THR 127.A O no hydrogen 2.774 N/A ARG 107.A NH1 ASN 106.A O no hydrogen 2.601 N/A ALA 113.A N SER 200.A O no hydrogen 2.884 N/A VAL 115.A N VAL 202.A O no hydrogen 3.031 N/A GLN 116.A NE2 ASN 118.A OD1 no hydrogen 2.445 N/A ALA 119.A N GLN 116.A O no hydrogen 3.108 N/A ASN 122.A N THR 163.A O no hydrogen 2.927 N/A ASN 122.A ND2 THR 163.A O no hydrogen 3.232 N/A THR 123.A N PRO 120.A O no hydrogen 3.221 N/A THR 123.A N THR 163.A OG1 no hydrogen 3.111 N/A THR 123.A OG1 PRO 120.A O no hydrogen 2.765 N/A VAL 125.A N VAL 161.A O no hydrogen 2.840 N/A LEU 128.A N GLY 159.A O no hydrogen 2.699 N/A GLN 129.A N ASN 106.A OD1 no hydrogen 2.799 N/A GLN 129.A NE2 LEU 128.A O no hydrogen 2.877 N/A ALA 130.A N TYR 141.A OH no hydrogen 2.721 N/A ARG 131.A N TYR 103.A O no hydrogen 2.941 N/A ARG 131.A NH1 GLN 129.A OE1 no hydrogen 3.224 N/A ARG 131.A NH1 ALA 130.A O no hydrogen 2.976 N/A ASP 134.A N ASP 132.A OD1 no hydrogen 2.886 N/A THR 135.A N ASP 96.A OD2 no hydrogen 3.250 N/A THR 135.A OG1 ASP 96.A OD2 no hydrogen 2.429 N/A ASN 138.A N ASP 183.A OD1 no hydrogen 2.775 N/A ASN 138.A ND2 ASN 185.A OD1 no hydrogen 3.362 N/A HIS 140.A N GLU 182.A O no hydrogen 2.846 N/A HIS 140.A ND1 GLU 156.A OE2 no hydrogen 2.641 N/A TYR 141.A N GLU 156.A O no hydrogen 2.732 N/A PHE 142.A N LYS 180.A O no hydrogen 2.979 N/A VAL 144.A N TYR 178.A O no hydrogen 2.822 N/A ARG 145.A N TYR 178.A O no hydrogen 3.321 N/A ARG 145.A NH2 GLU 196.A OE1 no hydrogen 3.296 N/A ARG 147.A N VAL 176.A O no hydrogen 2.956 N/A THR 148.A N ASP 146.A OD1 no hydrogen 2.671 N/A THR 148.A OG1 ASP 146.A OD1 no hydrogen 2.476 N/A THR 148.A OG1 ASP 146.A OD2 no hydrogen 3.141 N/A GLY 150.A N THR 148.A OG1 no hydrogen 2.984 N/A ARG 151.A N THR 148.A OG1 no hydrogen 2.856 N/A ARG 151.A NE ARG 164.A O no hydrogen 3.007 N/A ARG 151.A NH2 ARG 164.A O no hydrogen 3.185 N/A ARG 151.A NH2 ASP 167.A O no hydrogen 2.899 N/A GLU 153.A N ARG 162.A O no hydrogen 3.012 N/A ASP 155.A N VAL 160.A O no hydrogen 2.796 N/A ARG 157.A N ASP 155.A OD1 no hydrogen 3.072 N/A SER 158.A N ASP 155.A OD1 no hydrogen 2.927 N/A GLY 159.A N ASP 155.A O no hydrogen 2.988 N/A VAL 160.A N SER 158.A OG no hydrogen 3.137 N/A VAL 161.A N PHE 126.A O no hydrogen 2.752 N/A ARG 162.A N GLU 153.A O no hydrogen 2.941 N/A ARG 162.A NH1 GLU 153.A OE2 no hydrogen 2.949 N/A THR 163.A N THR 123.A O no hydrogen 3.003 N/A THR 163.A OG1 PRO 120.A O no hydrogen 3.011 N/A ARG 164.A N ARG 151.A O no hydrogen 2.980 N/A ARG 164.A NH1 GLY 150.A O no hydrogen 2.739 N/A PHE 169.A N LEU 117.A O no hydrogen 2.709 N/A GLN 170.A N TYR 175.A OH no hydrogen 2.745 N/A ASP 172.A N GLY 203.A O no hydrogen 2.956 N/A MET 173.A N GLN 170.A O no hydrogen 2.994 N/A TYR 175.A N ILE 201.A O no hydrogen 2.464 N/A LEU 177.A N LEU 199.A O no hydrogen 3.000 N/A TYR 178.A N ARG 145.A O no hydrogen 2.930 N/A VAL 179.A N GLU 197.A O no hydrogen 2.871 N/A LYS 180.A N PHE 142.A O no hydrogen 2.955 N/A LYS 180.A NZ GLU 182.A OE2 no hydrogen 3.221 N/A ALA 181.A N THR 194.A OG1 no hydrogen 3.201 N/A GLU 182.A N HIS 140.A O no hydrogen 2.870 N/A ASP 183.A N GLN 192.A O no hydrogen 3.103 N/A GLN 184.A N ASN 138.A O no hydrogen 2.995 N/A GLN 184.A NE2 GLU 182.A OE1 no hydrogen 2.645 N/A ASN 185.A N ASP 183.A OD1 no hydrogen 3.182 N/A ASN 185.A ND2 ASP 136.A O no hydrogen 2.580 N/A ASN 185.A ND2 ASP 136.A OD1 no hydrogen 3.398 N/A GLY 186.A N ASP 183.A O no hydrogen 3.328 N/A GLN 192.A N GLY 186.A O no hydrogen 3.058 N/A GLN 192.A NE2 ASN 98.A OD1 no hydrogen 2.813 N/A SER 193.A OG THR 194.A O no hydrogen 3.401 N/A THR 194.A N ALA 181.A O no hydrogen 3.011 N/A THR 194.A OG1 ALA 181.A O no hydrogen 3.537 N/A THR 194.A OG1 PRO 195.A O no hydrogen 2.984 N/A GLU 197.A N VAL 179.A O no hydrogen 2.932 N/A ARG 198.A NH1 GLU 174.A OE2 no hydrogen 2.619 N/A ARG 198.A NH2 GLU 174.A OE1 no hydrogen 3.003 N/A ARG 198.A NH2 GLU 174.A OE2 no hydrogen 3.372 N/A LEU 199.A N LEU 177.A O no hydrogen 2.597 N/A SER 200.A N MET 111.A O no hydrogen 2.950 N/A SER 200.A OG GLU 174.A OE2 no hydrogen 2.702 N/A ILE 201.A N TYR 175.A O no hydrogen 2.912 N/A VAL 202.A N ALA 113.A O no hydrogen 3.147 N/A GLY 203.A N MET 173.A O no hydrogen 2.906 N/A GLY 204.A N VAL 115.A O no hydrogen 2.626 N/A LYS 205.A N GLY 203.A O no hydrogen 2.861 N/A ARG 206.A NH1 ALA 113.A O no hydrogen 3.002 N/A ARG 206.A NH1 SER 200.A O no hydrogen 2.751 N/A ARG 206.A NH1 SER 200.A OG no hydrogen 3.145 N/A ARG 206.A NH2 SER 200.A OG no hydrogen 2.856 N/A GLN 209.A N LYS 235.A O no hydrogen 3.021 N/A GLN 209.A NE2 PRO 110.A O no hydrogen 2.974 N/A TYR 211.A N LYS 233.A O no hydrogen 2.919 N/A MET 212.A N TYR 215.A OH no hydrogen 3.154 N/A TYR 215.A N ASP 300.A O no hydrogen 3.170 N/A ALA 217.A N THR 302.A O no hydrogen 2.981 N/A ILE 219.A N ARG 304.A O no hydrogen 2.909 N/A GLU 221.A N THR 306.A O no hydrogen 3.118 N/A GLN 223.A N PRO 220.A O no hydrogen 3.169 N/A GLN 223.A NE2 SER 227.A OG no hydrogen 3.008 N/A ASP 226.A N LEU 267.A O no hydrogen 2.716 N/A SER 227.A OG LYS 224.A O no hydrogen 2.424 N/A ILE 229.A N VAL 265.A O no hydrogen 2.641 N/A ILE 232.A N GLY 263.A O no hydrogen 2.856 N/A ALA 234.A N TYR 244.A OH no hydrogen 2.928 N/A LYS 235.A N GLN 209.A O no hydrogen 2.786 N/A SER 236.A OG GLU 290.A OE2 no hydrogen 3.038 N/A ALA 238.A N SER 236.A OG no hydrogen 3.092 N/A ARG 240.A N SER 236.A OG no hydrogen 3.154 N/A ARG 240.A NE SER 292.A O no hydrogen 2.755 N/A ARG 243.A N THR 289.A O no hydrogen 2.926 N/A TYR 244.A N PRO 260.A O no hydrogen 3.427 N/A THR 245.A N THR 287.A O no hydrogen 3.158 N/A THR 245.A OG1 THR 287.A OG1 no hydrogen 2.785 N/A LYS 247.A N ILE 285.A O no hydrogen 2.944 N/A GLN 249.A N SER 283.A O no hydrogen 3.389 N/A THR 255.A OG1 GLY 252.A O no hydrogen 2.673 N/A ASN 257.A N LYS 266.A O no hydrogen 3.389 N/A GLY 259.A N ILE 264.A O no hydrogen 2.803 N/A GLY 263.A N GLY 259.A O no hydrogen 3.343 N/A VAL 265.A N ILE 230.A O no hydrogen 2.644 N/A LYS 266.A N ASN 257.A O no hydrogen 3.215 N/A LEU 267.A N SER 227.A O no hydrogen 3.211 N/A ALA 268.A N THR 255.A O no hydrogen 2.931 N/A LYS 269.A N THR 255.A O no hydrogen 3.397 N/A PHE 273.A N GLU 221.A OE1 no hydrogen 2.769 N/A GLU 274.A N ASP 272.A OD2 no hydrogen 3.408 N/A ASP 275.A N ASP 272.A O no hydrogen 2.874 N/A ARG 277.A N ASP 275.A OD1 no hydrogen 3.169 N/A GLN 278.A N ASP 275.A O no hydrogen 3.063 N/A HIS 280.A NE2 PHE 273.A O no hydrogen 3.154 N/A TYR 282.A N ILE 303.A O no hydrogen 2.709 N/A LEU 284.A N LEU 301.A O no hydrogen 2.717 N/A ILE 285.A N LYS 247.A O no hydrogen 3.241 N/A VAL 286.A N VAL 299.A O no hydrogen 3.013 N/A THR 287.A N THR 245.A O no hydrogen 3.118 N/A THR 287.A OG1 THR 245.A OG1 no hydrogen 2.785 N/A ALA 288.A N THR 297.A O no hydrogen 3.009 N/A THR 289.A N ARG 243.A O no hydrogen 3.032 N/A GLU 290.A N PHE 295.A O no hydrogen 3.042 N/A THR 297.A N ALA 288.A O no hydrogen 3.334 N/A THR 297.A OG1 PRO 208.A O no hydrogen 2.643 N/A VAL 299.A N VAL 286.A O no hydrogen 2.950 N/A LEU 301.A N LEU 284.A O no hydrogen 2.670 N/A THR 302.A N TYR 215.A O no hydrogen 2.986 N/A ILE 303.A N TYR 282.A O no hydrogen 2.966 N/A ARG 304.A N ALA 217.A O no hydrogen 3.020 N/A ARG 304.A NE GLU 216.A OE2 no hydrogen 2.869 N/A ARG 304.A NH2 GLU 216.A OE2 no hydrogen 3.225 N/A VAL 305.A N HIS 280.A O no hydrogen 2.894 N/A THR 306.A N ILE 219.A O no hydrogen 3.072 N/A THR 306.A OG1 ILE 219.A O no hydrogen 3.265 N/A VAL 308.A N GLU 221.A OE2 no hydrogen 2.958 N/A ASN 309.A ND2 ASP 391.A OD1 no hydrogen 3.487 N/A ASN 309.A ND2 ASP 391.A OD2 no hydrogen 3.220 N/A ASN 309.A ND2 PRO 395.A O no hydrogen 3.178 N/A ASP 310.A N VAL 308.A O no hydrogen 2.742 N/A ASN 311.A N ASP 344.A OD2 no hydrogen 2.981 N/A ASN 311.A ND2 ASP 344.A OD1 no hydrogen 3.215 N/A LYS 314.A N MET 341.A O no hydrogen 2.654 N/A GLU 316.A N LYS 339.A O no hydrogen 2.978 N/A LEU 317.A N TYR 320.A OH no hydrogen 3.236 N/A TYR 320.A N THR 402.A O no hydrogen 2.881 N/A ALA 322.A N ARG 404.A O no hydrogen 2.936 N/A VAL 325.A N TYR 406.A O no hydrogen 3.132 N/A GLU 327.A N LYS 408.A O no hydrogen 3.006 N/A ILE 329.A N ASP 326.A O no hydrogen 3.278 N/A GLY 332.A N ASN 370.A O no hydrogen 2.875 N/A THR 333.A OG1 PRO 330.A O no hydrogen 2.534 N/A ILE 335.A N ILE 368.A O no hydrogen 2.972 N/A VAL 338.A N GLY 366.A O no hydrogen 2.911 N/A ALA 340.A N TYR 353.A OH no hydrogen 3.122 N/A MET 341.A N LYS 314.A O no hydrogen 2.727 N/A ASP 344.A N ASP 342.A OD1 no hydrogen 3.071 N/A SER 345.A N ASP 307.A OD2 no hydrogen 3.035 N/A ASN 348.A ND2 ASP 307.A OD2 no hydrogen 3.151 N/A ALA 349.A N GLY 346.A O no hydrogen 3.009 N/A GLU 350.A N SER 347.A O no hydrogen 3.207 N/A GLU 352.A N LYS 390.A O no hydrogen 2.875 N/A LEU 354.A N THR 388.A O no hydrogen 2.938 N/A SER 356.A N ILE 386.A O no hydrogen 2.943 N/A SER 356.A OG ILE 386.A O no hydrogen 3.527 N/A HIS 359.A N ASP 357.A OD1 no hydrogen 3.289 N/A PHE 360.A N ASP 357.A O no hydrogen 2.918 N/A ALA 361.A N VAL 369.A O no hydrogen 3.271 N/A ASP 363.A N ILE 367.A O no hydrogen 3.384 N/A ASN 365.A N ASP 363.A OD2 no hydrogen 3.037 N/A GLY 366.A N ASP 363.A O no hydrogen 3.012 N/A ILE 367.A N ASP 363.A OD2 no hydrogen 3.033 N/A ILE 368.A N LEU 336.A O no hydrogen 2.885 N/A VAL 369.A N ALA 361.A O no hydrogen 2.829 N/A ASN 370.A N THR 333.A O no hydrogen 3.188 N/A ASN 370.A ND2 PRO 330.A O no hydrogen 3.054 N/A ASN 371.A N HIS 359.A O no hydrogen 2.838 N/A ASN 371.A ND2 ASP 358.A O no hydrogen 3.169 N/A LYS 372.A N HIS 359.A O no hydrogen 3.131 N/A ASN 378.A ND2 LEU 374.A O no hydrogen 3.168 N/A ASN 378.A ND2 THR 407.A OG1 no hydrogen 3.107 N/A ALA 381.A N ASN 378.A O no hydrogen 3.345 N/A TYR 382.A N ASN 378.A OD1 no hydrogen 3.268 N/A TYR 382.A OH GLU 384.A OE2 no hydrogen 3.236 N/A TYR 383.A N VAL 405.A O no hydrogen 2.906 N/A TYR 383.A OH LEU 374.A O no hydrogen 3.195 N/A PHE 385.A N VAL 403.A O no hydrogen 2.951 N/A ILE 386.A N SER 356.A OG no hydrogen 2.946 N/A VAL 387.A N ALA 401.A O no hydrogen 3.018 N/A THR 388.A N LEU 354.A O no hydrogen 2.994 N/A ALA 389.A N GLY 399.A O no hydrogen 2.776 N/A LYS 390.A N GLU 352.A O no hydrogen 2.860 N/A ASP 391.A N LYS 397.A O no hydrogen 3.166 N/A LYS 392.A N SER 347.A O no hydrogen 3.186 N/A GLY 393.A N ASP 391.A OD1 no hydrogen 2.727 N/A LYS 397.A N ASP 391.A OD1 no hydrogen 3.178 N/A LYS 397.A N ASP 391.A OD2 no hydrogen 3.415 N/A GLY 399.A N ALA 389.A O no hydrogen 2.834 N/A ALA 401.A N VAL 387.A O no hydrogen 3.121 N/A VAL 403.A N PHE 385.A O no hydrogen 2.666 N/A ARG 404.A N TYR 320.A O no hydrogen 2.801 N/A ARG 404.A NH1 ASP 319.A OD1 no hydrogen 2.757 N/A ARG 404.A NH2 ASP 319.A OD1 no hydrogen 3.042 N/A ARG 404.A NH2 GLN 321.A OE1 no hydrogen 2.505 N/A VAL 405.A N TYR 383.A O no hydrogen 2.817 N/A TYR 406.A N ALA 322.A O no hydrogen 3.047 N/A THR 407.A N ALA 381.A O no hydrogen 2.919 N/A LYS 408.A N VAL 325.A O no hydrogen 2.932 N/A