Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bu2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG ASP 41.A OD2 no hydrogen 2.452 N/A ASN 5.A N SER 15.A OG no hydrogen 3.096 N/A ASN 5.A ND2 ASP 7.A OD2 no hydrogen 3.429 N/A ASP 7.A N ASN 5.A OD1 no hydrogen 3.197 N/A SER 8.A N SER 11.A OG no hydrogen 3.280 N/A SER 11.A N SER 8.A OG no hydrogen 2.961 N/A SER 11.A OG ASN 5.A O no hydrogen 2.590 N/A SER 11.A OG SER 8.A O no hydrogen 3.344 N/A LEU 12.A N SER 8.A O no hydrogen 3.014 N/A LEU 12.A N PRO 9.A O no hydrogen 3.178 N/A PHE 13.A N PRO 9.A O no hydrogen 3.226 N/A GLU 14.A N SER 10.A O no hydrogen 3.363 N/A SER 15.A N SER 11.A O no hydrogen 3.352 N/A SER 15.A OG SER 11.A O no hydrogen 3.083 N/A SER 15.A OG LEU 12.A O no hydrogen 2.718 N/A LEU 16.A N LEU 12.A O no hydrogen 2.915 N/A ILE 17.A N PHE 13.A O no hydrogen 3.321 N/A SER 18.A N SER 15.A O no hydrogen 3.251 N/A ILE 20.A N ILE 17.A O no hydrogen 2.874 N/A THR 24.A N LYS 21.A O no hydrogen 2.819 N/A PHE 25.A N LYS 21.A O no hydrogen 2.960 N/A PHE 26.A N THR 22.A O no hydrogen 3.065 N/A LYS 27.A N GLU 23.A O no hydrogen 3.276 N/A GLU 28.A N THR 24.A O no hydrogen 2.878 N/A PHE 29.A N PHE 25.A O no hydrogen 2.715 N/A TRP 30.A N PHE 25.A O no hydrogen 2.978 N/A GLU 31.A N TYR 168.A OH no hydrogen 2.925 N/A GLN 32.A N PHE 29.A O no hydrogen 2.623 N/A GLN 32.A NE2 LYS 27.A O no hydrogen 2.778 N/A GLN 32.A NE2 TRP 30.A O no hydrogen 3.671 N/A LYS 33.A N PHE 29.A O no hydrogen 2.933 N/A LEU 35.A N TYR 168.A O no hydrogen 2.663 N/A ILE 37.A N LEU 166.A O no hydrogen 2.976 N/A ARG 39.A N ASP 165.A OD1 no hydrogen 2.999 N/A ARG 39.A NE SER 18.A O no hydrogen 2.735 N/A ARG 39.A NH1 TYR 48.A OH no hydrogen 3.222 N/A ARG 39.A NH1 GLY 164.A O no hydrogen 2.636 N/A ARG 39.A NH2 SER 18.A O no hydrogen 2.977 N/A LEU 44.A N ASP 41.A OD1 no hydrogen 2.945 N/A ALA 45.A N ASP 41.A O no hydrogen 2.881 N/A THR 46.A N PRO 42.A O no hydrogen 3.031 N/A THR 46.A OG1 PRO 42.A O no hydrogen 2.728 N/A TYR 47.A N ALA 43.A O no hydrogen 2.834 N/A TYR 47.A OH GLU 82.A OE2 no hydrogen 2.618 N/A TYR 48.A N LEU 44.A O no hydrogen 2.744 N/A GLY 49.A N ALA 45.A O no hydrogen 3.092 N/A SER 50.A N TYR 47.A O no hydrogen 2.787 N/A SER 50.A OG TYR 47.A O no hydrogen 2.500 N/A LEU 51.A N TYR 48.A O no hydrogen 2.994 N/A LYS 53.A N ASP 56.A OD2 no hydrogen 3.029 N/A ASP 56.A N LYS 53.A O no hydrogen 2.909 N/A LEU 57.A N LEU 54.A O no hydrogen 2.801 N/A SER 59.A N THR 55.A O no hydrogen 3.178 N/A SER 59.A OG ASP 56.A O no hydrogen 3.222 N/A LEU 60.A N ASP 56.A O no hydrogen 3.304 N/A LEU 60.A N LEU 57.A O no hydrogen 3.221 N/A CYS 61.A N LYS 58.A O no hydrogen 2.722 N/A CYS 61.A SG LEU 57.A O no hydrogen 2.900 N/A CYS 67.A N THR 70.A O no hydrogen 2.618 N/A CYS 67.A SG THR 70.A O no hydrogen 3.999 N/A THR 70.A N CYS 67.A O no hydrogen 2.519 N/A THR 70.A OG1 THR 105.A OG1 no hydrogen 3.387 N/A ILE 71.A N ILE 104.A O no hydrogen 2.901 N/A GLN 72.A N ASN 65.A O no hydrogen 2.743 N/A GLN 72.A NE2 ASN 101.A OD1 no hydrogen 3.238 N/A PHE 73.A N VAL 102.A O no hydrogen 2.861 N/A HIS 74.A N ASP 63.A O no hydrogen 2.806 N/A HIS 74.A ND1 ASN 101.A OD1 no hydrogen 2.930 N/A HIS 74.A NE2 ASN 65.A OD1 no hydrogen 3.050 N/A GLN 75.A N SER 100.A O no hydrogen 2.873 N/A GLN 77.A N GLN 77.A OE1 no hydrogen 2.455 N/A GLN 77.A NE2 GLN 75.A OE1 no hydrogen 2.546 N/A GLN 77.A NE2 HIS 318.A ND1 no hydrogen 3.209 N/A ARG 78.A N GLN 75.A O no hydrogen 3.296 N/A ARG 78.A NE GLN 75.A O no hydrogen 2.997 N/A ARG 78.A NH1 ASP 63.A OD1 no hydrogen 3.362 N/A ARG 78.A NH2 ASP 63.A OD1 no hydrogen 2.847 N/A PHE 79.A N PRO 76.A O no hydrogen 2.980 N/A LYS 80.A N PRO 76.A O no hydrogen 2.959 N/A LYS 80.A NZ ASP 56.A OD1 no hydrogen 3.262 N/A LYS 80.A NZ ASP 56.A OD2 no hydrogen 3.034 N/A TRP 84.A N LYS 80.A O no hydrogen 3.136 N/A TRP 84.A NE1 PRO 273.A O no hydrogen 2.896 N/A ARG 85.A N ASP 81.A O no hydrogen 2.799 N/A ILE 86.A N GLU 82.A O no hydrogen 2.907 N/A GLN 87.A N LEU 83.A O no hydrogen 2.710 N/A GLN 87.A NE2 VAL 98.A O no hydrogen 2.789 N/A GLU 88.A N TRP 84.A O no hydrogen 2.959 N/A LYS 89.A NZ PHE 6.A O no hydrogen 3.164 N/A LEU 90.A N ILE 86.A O no hydrogen 3.038 N/A GLU 91.A N GLN 87.A O no hydrogen 2.883 N/A CYS 92.A N GLU 88.A O no hydrogen 3.095 N/A CYS 92.A SG GLU 88.A O no hydrogen 3.619 N/A CYS 92.A SG GLU 88.A OE2 no hydrogen 3.533 N/A CYS 92.A SG ASP 292.A O no hydrogen 4.013 N/A TYR 93.A N LYS 89.A O no hydrogen 2.947 N/A PHE 94.A N LEU 90.A O no hydrogen 2.844 N/A GLY 95.A N GLU 91.A O no hydrogen 2.638 N/A SER 96.A OG THR 193.A OG1 no hydrogen 3.236 N/A VAL 98.A N GLU 91.A OE2 no hydrogen 2.920 N/A GLY 99.A N SER 192.A O no hydrogen 3.169 N/A SER 100.A N GLN 75.A OE1 no hydrogen 3.050 N/A SER 100.A OG GLN 77.A OE1 no hydrogen 3.329 N/A SER 100.A OG GLN 87.A OE1 no hydrogen 2.727 N/A ASN 101.A N THR 190.A O no hydrogen 3.116 N/A VAL 102.A N PHE 73.A O no hydrogen 2.897 N/A TYR 103.A N HIS 188.A O no hydrogen 2.833 N/A ILE 104.A N ILE 71.A O no hydrogen 2.838 N/A THR 105.A N SER 186.A O no hydrogen 3.087 N/A THR 105.A OG1 THR 70.A OG1 no hydrogen 3.387 N/A GLY 108.A N PRO 180.A O no hydrogen 2.921 N/A SER 109.A OG PRO 106.A O no hydrogen 2.521 N/A GLN 110.A NE2 GLN 176.A OE1 no hydrogen 3.572 N/A GLY 111.A N ALA 177.A O no hydrogen 3.231 N/A HIS 115.A N HIS 175.A O no hydrogen 3.176 N/A HIS 115.A ND1 PRO 113.A O no hydrogen 2.913 N/A TYR 116.A N SER 146.A O no hydrogen 2.943 N/A GLU 120.A N THR 193.A O no hydrogen 2.900 N/A VAL 121.A N PHE 169.A O no hydrogen 3.455 N/A PHE 122.A N ILE 191.A O no hydrogen 2.801 N/A ILE 123.A N LEU 167.A O no hydrogen 2.697 N/A LEU 124.A N VAL 189.A O no hydrogen 3.122 N/A GLN 125.A N ASP 165.A O no hydrogen 3.314 N/A GLN 125.A NE2 GLU 127.A O no hydrogen 3.146 N/A GLN 125.A NE2 GLY 128.A O no hydrogen 3.553 N/A GLN 125.A NE2 SER 186.A OG no hydrogen 3.038 N/A LEU 126.A N THR 187.A O no hydrogen 2.795 N/A GLU 127.A N THR 187.A O no hydrogen 2.949 N/A LYS 130.A N LEU 161.A O no hydrogen 3.068 N/A HIS 131.A N ASP 178.A O no hydrogen 2.748 N/A HIS 131.A NE2 GLU 159.A OE2 no hydrogen 3.065 N/A TRP 132.A N PHE 160.A O no hydrogen 2.849 N/A ARG 133.A N GLN 176.A O no hydrogen 3.065 N/A LEU 134.A N HIS 158.A O no hydrogen 2.877 N/A TYR 135.A N ILE 174.A O no hydrogen 2.792 N/A THR 138.A OG1 GLU 148.A OE2 no hydrogen 2.570 N/A SER 146.A N TYR 116.A O no hydrogen 3.116 N/A SER 146.A OG VAL 147.A O no hydrogen 3.137 N/A GLU 148.A N PRO 114.A O no hydrogen 3.232 N/A ARG 152.A N ALA 149.A O no hydrogen 2.569 N/A ILE 153.A N ALA 149.A O no hydrogen 3.218 N/A VAL 157.A N LEU 134.A O no hydrogen 2.862 N/A PHE 160.A N TRP 132.A O no hydrogen 3.044 N/A LYS 162.A N ASP 165.A OD2 no hydrogen 2.780 N/A GLY 164.A N GLN 125.A O no hydrogen 3.274 N/A ASP 165.A N LYS 162.A O no hydrogen 2.959 N/A LEU 166.A N ILE 37.A O no hydrogen 3.303 N/A LEU 167.A N ILE 123.A O no hydrogen 2.796 N/A TYR 168.A N LEU 35.A O no hydrogen 3.136 N/A TYR 168.A OH GLU 120.A OE1 no hydrogen 2.688 N/A ARG 171.A N GLU 120.A OE2 no hydrogen 2.728 N/A ARG 171.A NH1 GLU 31.A OE2 no hydrogen 2.854 N/A ARG 171.A NH2 GLU 31.A OE2 no hydrogen 2.892 N/A GLY 172.A N ASP 117.A O no hydrogen 3.251 N/A THR 173.A N PRO 170.A O no hydrogen 3.166 N/A THR 173.A OG1 PRO 170.A O no hydrogen 2.646 N/A HIS 175.A N HIS 115.A O no hydrogen 2.803 N/A HIS 175.A ND1 THR 173.A O no hydrogen 2.975 N/A GLN 176.A N ARG 133.A O no hydrogen 3.256 N/A GLN 176.A NE2 TYR 135.A OH no hydrogen 2.659 N/A GLN 176.A NE2 GLU 150.A OE2 no hydrogen 3.300 N/A ASP 178.A N HIS 131.A O no hydrogen 2.960 N/A THR 179.A N SER 109.A O no hydrogen 3.124 N/A THR 179.A OG1 THR 105.A O no hydrogen 3.454 N/A HIS 185.A NE2 GLU 127.A OE1 no hydrogen 3.061 N/A SER 186.A N THR 105.A O no hydrogen 2.827 N/A THR 187.A N GLU 127.A O no hydrogen 2.842 N/A THR 187.A OG1 GLU 127.A OE1 no hydrogen 3.148 N/A THR 187.A OG1 SER 186.A O no hydrogen 2.933 N/A HIS 188.A N TYR 103.A O no hydrogen 3.178 N/A VAL 189.A N LEU 124.A O no hydrogen 3.179 N/A THR 190.A N ASN 101.A O no hydrogen 2.656 N/A ILE 191.A N PHE 122.A O no hydrogen 3.096 N/A SER 192.A N GLY 99.A O no hydrogen 2.997 N/A THR 193.A N GLU 120.A O no hydrogen 2.920 N/A THR 193.A OG1 SER 96.A OG no hydrogen 3.236 N/A THR 193.A OG1 LEU 97.A O no hydrogen 2.623 N/A TYR 194.A N SER 96.A OG no hydrogen 3.204 N/A TYR 194.A N THR 193.A OG1 no hydrogen 2.718 N/A GLN 195.A NE2 ASP 118.A OD2 no hydrogen 3.015 N/A SER 198.A N ASP 201.A OD2 no hydrogen 2.977 N/A SER 198.A OG ASP 201.A OD2 no hydrogen 2.589 N/A ASP 201.A N SER 198.A O no hydrogen 3.166 N/A ASP 201.A N SER 198.A OG no hydrogen 3.402 N/A PHE 202.A N SER 198.A O no hydrogen 3.066 N/A LEU 203.A N TRP 199.A O no hydrogen 2.715 N/A LEU 204.A N GLY 200.A O no hydrogen 3.280 N/A ASP 205.A N ASP 201.A O no hydrogen 2.923 N/A THR 206.A N LEU 203.A O no hydrogen 3.082 N/A THR 206.A OG1 PHE 202.A O no hydrogen 2.803 N/A THR 206.A OG1 LEU 203.A O no hydrogen 3.134 N/A ILE 207.A N LEU 203.A O no hydrogen 2.806 N/A LEU 210.A N THR 206.A O no hydrogen 3.269 N/A VAL 211.A N ILE 207.A O no hydrogen 2.919 N/A PHE 212.A N SER 208.A O no hydrogen 2.887 N/A ASP 213.A N GLY 209.A O no hydrogen 3.112 N/A THR 214.A N LEU 210.A O no hydrogen 2.839 N/A THR 214.A OG1 LEU 210.A O no hydrogen 2.833 N/A ALA 215.A N VAL 211.A O no hydrogen 2.678 N/A GLU 217.A N THR 214.A O no hydrogen 2.900 N/A ASP 218.A N THR 214.A O no hydrogen 3.066 N/A GLU 220.A N ASP 218.A OD1 no hydrogen 2.758 N/A LEU 221.A N ASP 218.A O no hydrogen 3.305 N/A ARG 222.A NH1 ALA 215.A O no hydrogen 2.909 N/A THR 223.A N GLU 220.A O no hydrogen 3.168 N/A THR 223.A OG1 VAL 219.A O no hydrogen 3.056 N/A THR 223.A OG1 GLU 220.A O no hydrogen 3.233 N/A LEU 229.A N PRO 226.A O no hydrogen 3.413 N/A LEU 231.A N GLN 228.A O no hydrogen 2.584 N/A GLN 232.A N LEU 229.A O no hydrogen 3.346 N/A GLN 232.A NE2 GLN 228.A O no hydrogen 3.277 N/A THR 240.A N THR 236.A O no hydrogen 3.201 N/A THR 240.A OG1 THR 237.A O no hydrogen 2.826 N/A ARG 241.A N THR 237.A O no hydrogen 2.742 N/A ARG 242.A N VAL 238.A O no hydrogen 2.623 N/A ARG 242.A NH2 GLU 220.A OE2 no hydrogen 2.738 N/A LEU 243.A N ALA 239.A O no hydrogen 2.901 N/A SER 244.A N THR 240.A O no hydrogen 2.811 N/A SER 244.A OG THR 240.A O no hydrogen 3.033 N/A GLY 245.A N ARG 241.A O no hydrogen 3.197 N/A PHE 246.A N ARG 242.A O no hydrogen 3.066 N/A LEU 247.A N LEU 243.A O no hydrogen 2.978 N/A ARG 248.A N SER 244.A O no hydrogen 3.018 N/A THR 249.A N GLY 245.A O no hydrogen 2.872 N/A THR 249.A OG1 GLY 245.A O no hydrogen 3.145 N/A LEU 250.A N PHE 246.A O no hydrogen 2.986 N/A ALA 251.A N LEU 247.A O no hydrogen 2.849 N/A ASP 252.A N ARG 248.A O no hydrogen 3.010 N/A ARG 253.A N THR 249.A O no hydrogen 2.913 N/A ARG 253.A NE ASP 213.A OD2 no hydrogen 2.973 N/A ARG 253.A NH2 ASP 213.A OD2 no hydrogen 2.576 N/A LEU 254.A N LEU 250.A O no hydrogen 2.852 N/A GLU 255.A N ALA 251.A O no hydrogen 3.350 N/A GLY 256.A N ARG 253.A O no hydrogen 3.158 N/A THR 257.A N LEU 254.A O no hydrogen 2.525 N/A THR 257.A OG1 ARG 253.A O no hydrogen 2.738 N/A SER 262.A OG ASP 205.A OD2 no hydrogen 2.977 N/A SER 263.A N ASP 205.A O no hydrogen 2.930 N/A SER 263.A OG ASP 205.A O no hydrogen 3.179 N/A ASP 264.A N ASP 205.A OD1 no hydrogen 2.768 N/A LYS 265.A NZ LEU 296.A O no hydrogen 3.287 N/A ASP 267.A N ASP 264.A O no hydrogen 2.771 N/A ILE 269.A N LYS 265.A O no hydrogen 3.009 N/A HIS 270.A ND1 ASP 267.A O no hydrogen 2.846 N/A ARG 271.A N PHE 268.A O no hydrogen 2.831 N/A ARG 271.A NH1 ASP 292.A O no hydrogen 2.662 N/A ARG 271.A NH2 ASP 292.A O no hydrogen 2.831 N/A LEU 272.A N GLU 91.A OE1 no hydrogen 2.898 N/A TYR 275.A N GLU 88.A OE1 no hydrogen 2.840 N/A SER 276.A OG SER 276.A O no hydrogen 2.299 N/A ARG 281.A N SER 284.A OG no hydrogen 3.209 N/A SER 284.A N ARG 281.A O no hydrogen 3.094 N/A VAL 286.A N ILE 344.A O no hydrogen 3.032 N/A ARG 287.A N GLN 371.A O no hydrogen 2.924 N/A GLN 289.A N LEU 369.A O no hydrogen 2.681 N/A GLN 289.A NE2 CYS 368.A O no hydrogen 2.508 N/A LYS 291.A NZ TRP 339.A O no hydrogen 2.576 N/A HIS 293.A N PHE 290.A O no hydrogen 2.951 N/A HIS 293.A ND1 SER 310.A OG no hydrogen 2.798 N/A HIS 293.A NE2 GLU 88.A OE2 no hydrogen 2.843 N/A ILE 294.A N LYS 291.A O no hydrogen 2.807 N/A VAL 295.A N TYR 308.A O no hydrogen 2.866 N/A THR 297.A N TYR 306.A O no hydrogen 3.125 N/A LYS 304.A N GLU 303.A OE1 no hydrogen 3.064 N/A VAL 305.A N PHE 327.A O no hydrogen 2.545 N/A TYR 306.A N THR 297.A O no hydrogen 2.774 N/A ILE 307.A N LEU 325.A O no hydrogen 2.831 N/A TYR 308.A N VAL 295.A O no hydrogen 2.899 N/A HIS 309.A N HIS 323.A O no hydrogen 3.336 N/A HIS 309.A NE2 GLU 367.A OE2 no hydrogen 3.223 N/A SER 310.A N HIS 293.A O no hydrogen 3.232 N/A SER 310.A OG HIS 293.A ND1 no hydrogen 2.798 N/A SER 310.A OG HIS 293.A O no hydrogen 3.531 N/A LEU 311.A N HIS 309.A ND1 no hydrogen 3.240 N/A ASN 313.A N SER 310.A O no hydrogen 3.181 N/A ASN 313.A ND2 ILE 269.A O no hydrogen 2.848 N/A ASN 313.A ND2 ARG 271.A O no hydrogen 2.917 N/A SER 314.A OG GLU 316.A OE1 no hydrogen 3.473 N/A SER 314.A OG THR 317.A OG1 no hydrogen 3.039 N/A ARG 315.A NH2 ASP 81.A OD1 no hydrogen 3.271 N/A THR 317.A N SER 314.A O no hydrogen 3.369 N/A THR 317.A OG1 SER 314.A O no hydrogen 3.213 N/A THR 317.A OG1 SER 314.A OG no hydrogen 3.039 N/A HIS 318.A N ARG 315.A O no hydrogen 3.377 N/A HIS 318.A NE2 GLU 91.A OE2 no hydrogen 3.110 N/A LEU 325.A N ILE 307.A O no hydrogen 2.817 N/A PHE 327.A N VAL 305.A O no hydrogen 2.820 N/A HIS 331.A N PRO 328.A O no hydrogen 2.797 N/A LEU 332.A N LEU 329.A O no hydrogen 2.656 N/A LEU 335.A N HIS 331.A O no hydrogen 2.774 N/A LYS 336.A N LEU 332.A O no hydrogen 2.800 N/A GLN 337.A N ASP 333.A O no hydrogen 2.828 N/A GLN 337.A NE2 ASP 348.A O no hydrogen 2.808 N/A ILE 338.A N ALA 334.A O no hydrogen 3.119 N/A TRP 339.A N LEU 335.A O no hydrogen 3.114 N/A ASN 340.A N LYS 336.A O no hydrogen 3.259 N/A ASN 340.A ND2 LYS 336.A O no hydrogen 2.887 N/A SER 341.A N GLN 337.A O no hydrogen 2.873 N/A SER 341.A OG GLN 337.A O no hydrogen 2.597 N/A VAL 346.A N SER 284.A O no hydrogen 3.368 N/A LYS 347.A NZ ASP 283.A O no hydrogen 3.311 N/A LEU 349.A N VAL 346.A O no hydrogen 3.415 N/A LYS 350.A N GLN 337.A OE1 no hydrogen 2.873 N/A LEU 351.A N LEU 349.A O no hydrogen 2.777 N/A THR 353.A OG1 GLU 356.A OE2 no hydrogen 2.955 N/A LYS 357.A N THR 353.A O no hydrogen 3.113 N/A LYS 357.A NZ LYS 347.A O no hydrogen 2.832 N/A LYS 357.A NZ ASP 354.A OD1 no hydrogen 3.074 N/A GLU 358.A N ASP 354.A O no hydrogen 2.845 N/A SER 359.A N GLU 355.A O no hydrogen 2.611 N/A LEU 360.A N GLU 356.A O no hydrogen 2.926 N/A LEU 362.A N GLU 358.A O no hydrogen 2.840 N/A SER 363.A N SER 359.A O no hydrogen 2.848 N/A SER 363.A OG SER 359.A O no hydrogen 3.570 N/A LEU 364.A N LEU 360.A O no hydrogen 3.060 N/A TRP 365.A N VAL 361.A O no hydrogen 2.997 N/A THR 366.A N LEU 362.A O no hydrogen 3.210 N/A THR 366.A N SER 363.A O no hydrogen 2.906 N/A THR 366.A OG1 SER 363.A O no hydrogen 2.706 N/A GLU 367.A N SER 363.A O no hydrogen 3.316 N/A GLU 367.A N LEU 364.A O no hydrogen 3.128 N/A CYS 368.A N TRP 365.A O no hydrogen 3.022 N/A LEU 369.A N LEU 364.A O no hydrogen 3.081 N/A VAL 373.A N VAL 285.A O no hydrogen 2.813 N/A