Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4a0b_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 6.A N SER 3.A O no hydrogen 2.860 N/A ILE 8.A N ILE 4.A O no hydrogen 2.858 N/A TYR 9.A N LEU 5.A O no hydrogen 3.012 N/A LYS 10.A N HIS 6.A O no hydrogen 2.930 N/A SER 11.A N TYR 7.A O no hydrogen 2.847 N/A SER 11.A OG TYR 7.A O no hydrogen 3.365 N/A SER 12.A N ILE 8.A O no hydrogen 3.060 N/A LEU 13.A N LYS 10.A O no hydrogen 2.830 N/A GLY 14.A N SER 11.A O no hydrogen 3.294 N/A GLN 15.A N LYS 10.A O no hydrogen 3.306 N/A GLN 20.A N ILE 17.A O no hydrogen 3.199 N/A GLN 23.A NE2 ALA 19.A O no hydrogen 3.209 N/A CYS 24.A N GLN 20.A O no hydrogen 2.789 N/A CYS 24.A SG THR 2.A O no hydrogen 3.739 N/A LEU 25.A N ARG 22.A O no hydrogen 3.309 N/A ILE 30.A N GLN 26.A O no hydrogen 2.920 N/A SER 32.A N PRO 28.A O no hydrogen 3.435 N/A SER 32.A OG PHE 29.A O no hydrogen 2.422 N/A LYS 34.A N ARG 31.A O no hydrogen 2.752 N/A SER 35.A N SER 32.A O no hydrogen 3.004 N/A TYR 36.A N LEU 33.A O no hydrogen 3.392 N/A TYR 36.A OH ASP 338.A O no hydrogen 2.761 N/A LYS 37.A N ASN 352.A O no hydrogen 2.981 N/A HIS 39.A N ILE 350.A O no hydrogen 2.774 N/A ARG 40.A N ILE 350.A O no hydrogen 3.362 N/A ARG 48.A NE THR 274.A OG1 no hydrogen 2.940 N/A ARG 48.A NH2 THR 274.A OG1 no hydrogen 2.772 N/A VAL 49.A N GLY 345.A O no hydrogen 2.811 N/A THR 50.A N GLY 65.A O no hydrogen 2.884 N/A THR 50.A OG1 ILE 94.A O no hydrogen 2.483 N/A SER 51.A N GLY 65.A O no hydrogen 3.099 N/A GLU 53.A N ALA 63.A O no hydrogen 2.921 N/A TRP 54.A NE1 LYS 332.A O no hydrogen 3.080 N/A HIS 55.A N THR 61.A O no hydrogen 3.099 N/A HIS 58.A N HIS 55.A ND1 no hydrogen 2.980 N/A THR 60.A N HIS 58.A ND1 no hydrogen 3.443 N/A THR 60.A OG1 ASP 77.A OD1 no hydrogen 3.565 N/A THR 61.A OG1 THR 60.A O no hydrogen 2.679 N/A VAL 62.A N TRP 74.A O no hydrogen 2.729 N/A ALA 63.A N GLU 53.A O no hydrogen 2.740 N/A VAL 64.A N ILE 72.A O no hydrogen 3.134 N/A GLY 65.A N SER 51.A O no hydrogen 2.943 N/A SER 66.A OG ASP 70.A O no hydrogen 3.141 N/A LYS 67.A N ARG 48.A O no hydrogen 3.066 N/A GLY 69.A N SER 66.A O no hydrogen 2.811 N/A ASP 70.A N SER 66.A OG no hydrogen 2.779 N/A ILE 71.A N ILE 85.A O no hydrogen 2.945 N/A ILE 72.A N VAL 64.A O no hydrogen 3.137 N/A LEU 73.A N SER 83.A O no hydrogen 3.096 N/A TRP 74.A N VAL 62.A O no hydrogen 2.977 N/A TYR 76.A OH PRO 59.A O no hydrogen 2.691 N/A THR 82.A OG1 LYS 81.A O no hydrogen 2.589 N/A SER 83.A N LEU 73.A O no hydrogen 3.178 N/A SER 83.A OG PHE 121.A O no hydrogen 2.908 N/A ILE 85.A N ILE 71.A O no hydrogen 2.779 N/A MET 88.A N ASP 92.A OD2 no hydrogen 3.068 N/A ALA 93.A N LYS 67.A O no hydrogen 2.819 N/A ILE 94.A N SER 66.A O no hydrogen 3.267 N/A THR 95.A N SER 110.A O no hydrogen 2.875 N/A THR 95.A OG1 SER 110.A O no hydrogen 3.004 N/A THR 95.A OG1 SER 110.A OG no hydrogen 3.311 N/A THR 95.A OG1 TYR 139.A O no hydrogen 3.221 N/A GLY 96.A N SER 110.A O no hydrogen 3.440 N/A LYS 98.A N PHE 108.A O no hydrogen 3.165 N/A ASN 100.A N GLN 106.A O no hydrogen 2.862 N/A ASN 100.A ND2 GLN 106.A OE1 no hydrogen 3.095 N/A PHE 102.A N ASN 100.A OD1 no hydrogen 3.333 N/A ASN 105.A N ASN 103.A OD1 no hydrogen 3.028 N/A LEU 107.A N ARG 119.A O no hydrogen 3.232 N/A PHE 108.A N LYS 98.A O no hydrogen 2.961 N/A VAL 109.A N THR 117.A O no hydrogen 2.821 N/A SER 110.A N GLY 96.A O no hydrogen 3.227 N/A SER 110.A OG THR 95.A OG1 no hydrogen 3.311 N/A SER 111.A OG ASP 92.A O no hydrogen 3.270 N/A SER 111.A OG ASP 92.A OD1 no hydrogen 2.664 N/A ILE 112.A N ALA 93.A O no hydrogen 3.109 N/A ARG 113.A N ASP 92.A O no hydrogen 3.011 N/A THR 117.A N VAL 109.A O no hydrogen 3.070 N/A THR 117.A OG1 ALA 115.A O no hydrogen 3.091 N/A LEU 118.A N GLN 127.A O no hydrogen 3.100 N/A ARG 119.A N LEU 107.A O no hydrogen 2.978 N/A ARG 119.A NH2 GLN 86.A O no hydrogen 3.294 N/A SER 124.A OG ASP 120.A OD2 no hydrogen 3.343 N/A ILE 126.A N LEU 118.A O no hydrogen 2.795 N/A GLN 127.A NE2 LEU 165.A O no hydrogen 3.097 N/A PHE 129.A N THR 116.A O no hydrogen 3.287 N/A ALA 130.A N THR 116.A O no hydrogen 3.465 N/A THR 132.A OG1 SER 134.A O no hydrogen 2.740 N/A SER 134.A OG TRP 135.A O no hydrogen 2.910 N/A CYS 140.A N GLY 154.A O no hydrogen 2.962 N/A CYS 140.A SG TRP 138.A O no hydrogen 3.660 N/A CYS 141.A SG VAL 180.A O no hydrogen 3.568 N/A ASP 143.A N ALA 152.A O no hydrogen 3.398 N/A SER 145.A N MET 150.A O no hydrogen 2.955 N/A SER 147.A OG ASP 190.A OD1 no hydrogen 2.786 N/A SER 147.A OG ASP 190.A OD2 no hydrogen 2.956 N/A ARG 148.A N SER 145.A OG no hydrogen 3.307 N/A GLN 149.A N SER 145.A O no hydrogen 3.000 N/A LEU 151.A N LEU 163.A O no hydrogen 2.785 N/A ALA 152.A N ASP 143.A O no hydrogen 3.068 N/A THR 153.A N LEU 161.A O no hydrogen 2.967 N/A ASP 155.A N ARG 159.A O no hydrogen 3.089 N/A THR 157.A N ASP 155.A OD1 no hydrogen 3.123 N/A THR 157.A OG1 ASP 155.A OD2 no hydrogen 2.823 N/A GLY 158.A N ASP 155.A OD1 no hydrogen 2.704 N/A ARG 159.A N ASP 155.A OD1 no hydrogen 2.666 N/A ARG 159.A NE ASP 155.A OD2 no hydrogen 3.397 N/A LEU 160.A N GLU 173.A O no hydrogen 3.447 N/A LEU 162.A N PHE 171.A O no hydrogen 2.813 N/A LEU 163.A N LEU 151.A O no hydrogen 2.954 N/A GLY 164.A N HIS 168.A O no hydrogen 2.734 N/A GLY 167.A N GLY 164.A O no hydrogen 2.693 N/A ILE 170.A N LEU 162.A O no hydrogen 2.995 N/A PHE 171.A N LEU 162.A O no hydrogen 2.996 N/A LEU 175.A N GLY 158.A O no hydrogen 2.659 N/A HIS 176.A N GLY 158.A O no hydrogen 3.133 N/A HIS 176.A ND1 ASP 199.A OD2 no hydrogen 2.992 N/A HIS 176.A NE2 THR 195.A OG1 no hydrogen 2.953 N/A LYS 177.A N ASP 199.A OD2 no hydrogen 3.210 N/A VAL 180.A N ASP 155.A O no hydrogen 2.818 N/A THR 181.A N SER 196.A O no hydrogen 2.642 N/A THR 181.A OG1 SER 196.A O no hydrogen 2.630 N/A THR 181.A OG1 SER 196.A OG no hydrogen 2.664 N/A THR 181.A OG1 VAL 226.A O no hydrogen 2.900 N/A THR 181.A OG1 ASN 227.A O no hydrogen 2.619 N/A HIS 182.A N SER 196.A O no hydrogen 3.268 N/A GLU 184.A N ALA 194.A O no hydrogen 3.313 N/A ASN 186.A N LEU 192.A O no hydrogen 3.194 N/A ASN 186.A ND2 SER 236.A O no hydrogen 3.049 N/A ARG 188.A N ASN 186.A OD1 no hydrogen 3.010 N/A ARG 188.A NH1 ASP 235.A O no hydrogen 3.446 N/A LEU 192.A N CYS 189.A O no hydrogen 3.344 N/A MET 193.A N TRP 205.A O no hydrogen 2.798 N/A ALA 194.A N GLU 184.A O no hydrogen 3.137 N/A THR 195.A N LYS 203.A O no hydrogen 2.772 N/A THR 195.A OG1 HIS 176.A NE2 no hydrogen 2.953 N/A THR 195.A OG1 LYS 203.A O no hydrogen 3.037 N/A SER 196.A N HIS 182.A O no hydrogen 3.210 N/A SER 196.A OG THR 181.A OG1 no hydrogen 2.664 N/A SER 196.A OG ASN 227.A O no hydrogen 3.123 N/A SER 197.A N THR 201.A O no hydrogen 3.306 N/A SER 197.A OG LYS 179.A O no hydrogen 2.823 N/A VAL 198.A N LYS 179.A O no hydrogen 3.033 N/A ASP 199.A N SER 197.A OG no hydrogen 3.150 N/A ALA 200.A N SER 197.A O no hydrogen 3.227 N/A THR 201.A N ASP 199.A OD1 no hydrogen 3.094 N/A THR 201.A OG1 HIS 176.A ND1 no hydrogen 3.217 N/A THR 201.A OG1 ASP 199.A OD1 no hydrogen 2.633 N/A THR 201.A OG1 ASP 199.A OD2 no hydrogen 3.113 N/A VAL 202.A N MET 220.A O no hydrogen 3.297 N/A LYS 203.A N THR 195.A O no hydrogen 2.946 N/A LYS 203.A NZ LEU 175.A O no hydrogen 3.518 N/A LEU 204.A N ALA 218.A O no hydrogen 3.020 N/A TRP 205.A N MET 193.A O no hydrogen 2.645 N/A TRP 205.A NE1 THR 195.A OG1 no hydrogen 2.843 N/A LEU 207.A N TRP 191.A O no hydrogen 2.936 N/A ARG 208.A N ASP 206.A OD1 no hydrogen 2.848 N/A ARG 208.A NE ASP 206.A OD1 no hydrogen 2.799 N/A ARG 208.A NE ASP 206.A OD2 no hydrogen 3.186 N/A ARG 208.A NH2 ASP 206.A OD2 no hydrogen 2.934 N/A ASN 209.A N ASP 206.A O no hydrogen 3.417 N/A LYS 211.A N SER 215.A OG no hydrogen 3.228 N/A ASP 212.A N SER 215.A OG no hydrogen 3.057 N/A SER 215.A OG ASP 212.A O no hydrogen 2.724 N/A SER 215.A OG ASP 212.A OD1 no hydrogen 3.336 N/A ILE 217.A N LEU 204.A O no hydrogen 2.784 N/A HIS 222.A N ALA 200.A O no hydrogen 2.973 N/A HIS 222.A ND1 MET 220.A O no hydrogen 2.968 N/A VAL 226.A N SER 197.A O no hydrogen 3.250 N/A ASN 227.A N THR 242.A O no hydrogen 3.171 N/A ASN 227.A ND2 ILE 276.A O no hydrogen 3.474 N/A TYR 230.A N LEU 240.A O no hydrogen 3.055 N/A PHE 231.A N GLU 184.A OE1 no hydrogen 2.706 N/A PHE 231.A N GLU 184.A OE2 no hydrogen 3.134 N/A ASN 232.A N LYS 238.A O no hydrogen 2.945 N/A ASN 232.A ND2 ASP 285.A OD1 no hydrogen 3.556 N/A THR 234.A OG1 ASP 285.A OD1 no hydrogen 3.247 N/A SER 236.A N ASN 232.A O no hydrogen 3.017 N/A SER 236.A OG ASN 186.A OD1 no hydrogen 3.263 N/A LYS 238.A N ASN 232.A OD1 no hydrogen 2.805 N/A LYS 238.A NZ SER 252.A OG no hydrogen 3.145 N/A LEU 239.A N TYR 251.A O no hydrogen 3.079 N/A LEU 240.A N TYR 230.A O no hydrogen 2.508 N/A THR 241.A N ARG 249.A O no hydrogen 3.043 N/A THR 242.A N ALA 228.A O no hydrogen 3.232 N/A ASP 243.A N GLU 247.A O no hydrogen 3.095 N/A GLN 244.A NE2 ASN 227.A OD1 no hydrogen 2.793 N/A ARG 245.A N ASP 243.A OD1 no hydrogen 3.497 N/A ARG 245.A NH1 ASN 246.A OD1 no hydrogen 3.052 N/A ARG 245.A NH1 ASP 294.A OD2 no hydrogen 2.789 N/A ARG 245.A NH2 ASP 294.A OD2 no hydrogen 3.268 N/A GLU 247.A N ASP 243.A OD1 no hydrogen 2.781 N/A ILE 248.A N ILE 263.A O no hydrogen 2.949 N/A ARG 249.A N THR 241.A O no hydrogen 2.757 N/A VAL 250.A N GLN 261.A O no hydrogen 2.806 N/A TYR 251.A N LEU 239.A O no hydrogen 3.202 N/A SER 253.A N THR 237.A O no hydrogen 3.098 N/A ASP 255.A N SER 252.A O no hydrogen 3.157 N/A SER 257.A OG ASP 255.A OD1 no hydrogen 3.055 N/A LYS 258.A NZ PRO 259.A O no hydrogen 3.434 N/A GLN 261.A N VAL 250.A O no hydrogen 3.111 N/A ILE 263.A N ILE 248.A O no hydrogen 2.761 N/A HIS 265.A N ASN 246.A O no hydrogen 2.881 N/A HIS 267.A N ARG 245.A O no hydrogen 3.008 N/A HIS 267.A NE2 ASP 243.A OD1 no hydrogen 3.176 N/A ARG 268.A NH2 PRO 293.A O no hydrogen 3.428 N/A LEU 273.A N PHE 270.A O no hydrogen 3.056 N/A THR 274.A OG1 VAL 49.A O no hydrogen 3.202 N/A THR 279.A N VAL 288.A O no hydrogen 3.292 N/A THR 279.A OG1 ASN 331.A O no hydrogen 3.197 N/A HIS 281.A N LEU 286.A O no hydrogen 3.022 N/A HIS 281.A NE2 GLY 337.A O no hydrogen 2.657 N/A MET 283.A N HIS 281.A ND1 no hydrogen 3.109 N/A TYR 284.A OH LEU 25.A O no hydrogen 3.351 N/A ILE 287.A N TYR 308.A O no hydrogen 2.563 N/A VAL 288.A N THR 279.A O no hydrogen 3.069 N/A ALA 289.A N ASP 306.A O no hydrogen 3.446 N/A ARG 291.A N THR 304.A O no hydrogen 3.024 N/A ARG 291.A NE ASP 306.A OD2 no hydrogen 3.106 N/A ARG 291.A NH1 ASP 301.A OD1 no hydrogen 2.657 N/A ARG 291.A NH1 ASP 301.A OD2 no hydrogen 3.050 N/A ARG 291.A NH2 ASP 306.A OD2 no hydrogen 2.811 N/A TYR 292.A N PRO 266.A O no hydrogen 3.107 N/A GLN 296.A N ASP 294.A OD1 no hydrogen 3.162 N/A LEU 297.A N ASP 294.A O no hydrogen 3.285 N/A LEU 298.A N ASP 294.A O no hydrogen 2.700 N/A LYS 302.A N ASP 301.A OD1 no hydrogen 2.753 N/A THR 304.A OG1 ASP 306.A OD1 no hydrogen 2.989 N/A THR 304.A OG1 GLN 318.A OE1 no hydrogen 3.458 N/A ILE 305.A N LEU 319.A O no hydrogen 3.213 N/A ASP 306.A N ALA 289.A O no hydrogen 3.061 N/A ILE 307.A N HIS 317.A O no hydrogen 3.135 N/A TYR 308.A N ILE 287.A O no hydrogen 2.793 N/A TYR 308.A OH ASP 306.A OD2 no hydrogen 2.715 N/A ASP 309.A N GLY 314.A O no hydrogen 3.223 N/A ALA 310.A N ASP 285.A O no hydrogen 3.222 N/A ASN 311.A N ASP 309.A OD1 no hydrogen 3.368 N/A SER 312.A N ASP 309.A O no hydrogen 3.029 N/A SER 312.A OG ASP 309.A O no hydrogen 3.269 N/A SER 312.A OG ASP 309.A OD2 no hydrogen 3.252 N/A GLY 313.A N ASP 309.A O no hydrogen 2.555 N/A VAL 316.A N ILE 307.A O no hydrogen 3.118 N/A LEU 319.A N ILE 305.A O no hydrogen 3.002 N/A ASN 323.A N ASP 321.A OD2 no hydrogen 2.694 N/A SER 329.A N GLY 343.A O no hydrogen 2.879 N/A SER 329.A OG THR 274.A O no hydrogen 3.364 N/A SER 329.A OG ILE 327.A O no hydrogen 3.497 N/A ASN 331.A ND2 ILE 328.A O no hydrogen 3.668 N/A ASN 331.A ND2 SER 329.A O no hydrogen 3.574 N/A LYS 332.A N ALA 341.A O no hydrogen 2.958 N/A LYS 332.A NZ LEU 52.A O no hydrogen 3.042 N/A SER 334.A N VAL 339.A O no hydrogen 2.979 N/A SER 334.A OG THR 336.A OG1 no hydrogen 3.381 N/A SER 334.A OG ASP 338.A OD1 no hydrogen 3.508 N/A THR 336.A OG1 SER 334.A OG no hydrogen 3.381 N/A GLY 337.A N SER 334.A OG no hydrogen 3.365 N/A LEU 340.A N TRP 351.A O no hydrogen 3.196 N/A ALA 341.A N LYS 332.A O no hydrogen 2.814 N/A SER 342.A N LEU 349.A O no hydrogen 2.786 N/A SER 342.A OG ASN 331.A OD1 no hydrogen 2.825 N/A GLY 343.A N LEU 330.A O no hydrogen 2.667 N/A MET 344.A N ASN 347.A O no hydrogen 2.880 N/A ASN 347.A N MET 344.A O no hydrogen 3.016 N/A ASN 347.A ND2 MET 344.A O no hydrogen 3.276 N/A ILE 348.A N ALA 42.A O no hydrogen 3.084 N/A LEU 349.A N SER 342.A O no hydrogen 2.987 N/A ILE 350.A N ARG 40.A O no hydrogen 2.886 N/A TRP 351.A N LEU 340.A O no hydrogen 2.846 N/A TRP 351.A NE1 SER 342.A OG no hydrogen 2.993 N/A ASN 352.A N LYS 37.A O no hydrogen 3.110 N/A ASN 352.A ND2 ARG 353.A O no hydrogen 3.695 N/A