Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2baj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N HIS 2.A ND1 no hydrogen 3.078 N/A GLN 5.A N HIS 2.A O no hydrogen 3.034 N/A GLN 5.A NE2 ALA 92.A O no hydrogen 2.911 N/A GLN 5.A NE2 TYR 326.A OH no hydrogen 2.914 N/A GLU 6.A N HIS 3.A O no hydrogen 2.882 N/A ARG 7.A N SER 4.A O no hydrogen 3.228 N/A TYR 11.A N VAL 19.A O no hydrogen 3.057 N/A TYR 11.A OH TYR 23.A O no hydrogen 2.557 N/A ARG 12.A NE GLU 18.A OE1 no hydrogen 3.210 N/A ARG 12.A NH1 GLU 18.A OE1 no hydrogen 2.949 N/A GLN 13.A N TRP 17.A O no hydrogen 3.048 N/A TRP 17.A N GLN 13.A O no hydrogen 2.712 N/A GLU 18.A N TYR 102.A OH no hydrogen 3.051 N/A VAL 19.A N TYR 11.A O no hydrogen 3.098 N/A GLU 21.A N THR 9.A OG1 no hydrogen 3.314 N/A ARG 22.A NE ASP 42.A OD1 no hydrogen 2.671 N/A ARG 22.A NH2 ASP 42.A OD1 no hydrogen 3.301 N/A ARG 22.A NH2 ASP 42.A OD2 no hydrogen 2.820 N/A TYR 23.A N PRO 20.A O no hydrogen 3.157 N/A TYR 23.A OH ASP 87.A OD2 no hydrogen 2.679 N/A GLN 24.A N PHE 41.A O no hydrogen 2.838 N/A GLN 24.A NE2 GLU 21.A O no hydrogen 2.914 N/A SER 27.A N ALA 39.A O no hydrogen 3.004 N/A VAL 29.A N VAL 37.A O no hydrogen 2.972 N/A SER 31.A OG SER 36.A OG no hydrogen 2.685 N/A GLY 32.A N GLY 35.A O no hydrogen 3.052 N/A TYR 34.A N LEU 160.A O no hydrogen 3.163 N/A SER 36.A N LYS 53.A O no hydrogen 2.911 N/A SER 36.A OG SER 31.A OG no hydrogen 2.685 N/A VAL 37.A N GLY 30.A O no hydrogen 2.958 N/A CYS 38.A N VAL 51.A O no hydrogen 2.894 N/A ALA 39.A N SER 27.A O no hydrogen 3.000 N/A ALA 40.A N VAL 49.A O no hydrogen 2.865 N/A PHE 41.A N GLN 24.A O no hydrogen 2.873 N/A ASP 42.A N LEU 47.A O no hydrogen 3.014 N/A THR 43.A N ARG 22.A O no hydrogen 2.721 N/A THR 43.A OG1 ARG 22.A O no hydrogen 3.248 N/A LYS 44.A N ASP 42.A OD1 no hydrogen 3.355 N/A THR 45.A OG1 ASP 42.A OD2 no hydrogen 2.320 N/A GLY 46.A N ASP 42.A O no hydrogen 2.849 N/A VAL 49.A N ALA 40.A O no hydrogen 2.918 N/A ALA 50.A N THR 105.A O no hydrogen 2.929 N/A VAL 51.A N CYS 38.A O no hydrogen 2.733 N/A LYS 52.A N LEU 103.A O no hydrogen 2.984 N/A LYS 52.A NZ GLU 70.A OE1 no hydrogen 3.110 N/A LYS 52.A NZ GLU 70.A OE2 no hydrogen 2.799 N/A LYS 52.A NZ PHE 158.A O no hydrogen 2.608 N/A LYS 53.A N SER 36.A O no hydrogen 3.070 N/A LYS 53.A NZ ILE 16.A O no hydrogen 2.986 N/A LEU 54.A N VAL 101.A O no hydrogen 3.166 N/A SER 55.A N TYR 34.A O no hydrogen 3.001 N/A GLN 59.A N ARG 56.A O no hydrogen 3.255 N/A HIS 63.A N SER 60.A OG no hydrogen 3.215 N/A ALA 64.A N SER 60.A O no hydrogen 3.048 N/A LYS 65.A N ILE 61.A O no hydrogen 2.987 N/A LYS 65.A NZ GLU 312.A O no hydrogen 2.743 N/A ARG 66.A N ILE 62.A O no hydrogen 3.022 N/A THR 67.A N HIS 63.A O no hydrogen 2.750 N/A THR 67.A OG1 PRO 57.A O no hydrogen 3.471 N/A THR 67.A OG1 HIS 63.A O no hydrogen 2.885 N/A TYR 68.A N ALA 64.A O no hydrogen 3.251 N/A ARG 69.A N LYS 65.A O no hydrogen 2.777 N/A ARG 69.A NE GLU 312.A OE2 no hydrogen 3.048 N/A ARG 69.A NH2 GLU 312.A OE1 no hydrogen 3.045 N/A GLU 70.A N ARG 66.A O no hydrogen 2.913 N/A LEU 71.A N THR 67.A O no hydrogen 3.111 N/A ARG 72.A N TYR 68.A O no hydrogen 2.876 N/A ARG 72.A NH1 TYR 68.A OH no hydrogen 2.992 N/A ARG 72.A NH2 ASP 308.A O no hydrogen 2.710 N/A LEU 73.A N ARG 69.A O no hydrogen 2.860 N/A LEU 74.A N GLU 70.A O no hydrogen 2.919 N/A LYS 75.A N LEU 71.A O no hydrogen 2.918 N/A LYS 75.A NZ GLU 328.A O no hydrogen 2.675 N/A LYS 75.A NZ GLU 328.A OE1 no hydrogen 2.577 N/A LYS 75.A NZ SER 331.A OG no hydrogen 3.279 N/A HIS 76.A N ARG 72.A O no hydrogen 3.247 N/A HIS 76.A N LEU 73.A O no hydrogen 3.214 N/A HIS 76.A NE2 ASP 305.A O no hydrogen 2.800 N/A MET 77.A N LEU 73.A O no hydrogen 3.148 N/A LYS 78.A N TYR 129.A OH no hydrogen 2.973 N/A GLU 80.A N GLU 80.A OE1 no hydrogen 2.791 N/A ASN 81.A N HIS 79.A ND1 no hydrogen 2.846 N/A ASN 81.A ND2 GLN 122.A OE1 no hydrogen 3.496 N/A ASN 81.A ND2 LEU 153.A O no hydrogen 3.060 N/A VAL 82.A N HIS 79.A O no hydrogen 3.118 N/A ILE 83.A N ILE 155.A O no hydrogen 3.028 N/A LEU 86.A N VAL 104.A O no hydrogen 2.790 N/A ASP 87.A N VAL 104.A O no hydrogen 3.216 N/A VAL 88.A N ASP 87.A OD1 no hydrogen 3.011 N/A PHE 89.A N TYR 102.A O no hydrogen 2.904 N/A THR 90.A OG1 ASP 100.A O no hydrogen 2.904 N/A ALA 92.A N THR 90.A OG1 no hydrogen 3.167 N/A ARG 93.A N GLU 97.A OE1 no hydrogen 3.080 N/A ARG 93.A NE GLU 97.A OE1 no hydrogen 3.106 N/A ARG 93.A NH2 GLU 97.A OE2 no hydrogen 2.938 N/A GLU 97.A N SER 94.A O no hydrogen 2.939 N/A PHE 98.A N LEU 95.A O no hydrogen 3.095 N/A TYR 102.A N PHE 89.A O no hydrogen 3.214 N/A LEU 103.A N LYS 52.A O no hydrogen 2.970 N/A VAL 104.A N ASP 87.A O no hydrogen 2.817 N/A THR 105.A N ALA 50.A O no hydrogen 3.085 N/A THR 105.A OG1 GLY 84.A O no hydrogen 3.126 N/A THR 105.A OG1 HIS 106.A O no hydrogen 3.429 N/A LEU 107.A N ARG 48.A O no hydrogen 3.336 N/A ALA 110.A N VAL 147.A O no hydrogen 3.066 N/A LEU 112.A N PRO 142.A O no hydrogen 3.403 N/A ASN 113.A N ASP 111.A OD1 no hydrogen 3.434 N/A GLN 117.A N ASP 114.A OD1 no hydrogen 3.305 N/A LEU 119.A N HIS 115.A O no hydrogen 3.002 N/A ILE 120.A N VAL 116.A O no hydrogen 2.879 N/A TYR 121.A N GLN 117.A O no hydrogen 2.829 N/A TYR 121.A OH GLU 301.A OE2 no hydrogen 2.538 N/A GLN 122.A N PHE 118.A O no hydrogen 3.075 N/A GLN 122.A NE2 PHE 118.A O no hydrogen 3.065 N/A GLN 122.A NE2 CYS 151.A O no hydrogen 2.795 N/A ILE 123.A N LEU 119.A O no hydrogen 2.925 N/A LEU 124.A N ILE 120.A O no hydrogen 2.970 N/A ARG 125.A N TYR 121.A O no hydrogen 2.962 N/A ARG 125.A NE ASP 300.A O no hydrogen 2.724 N/A ARG 125.A NH1 ASN 81.A OD1 no hydrogen 2.760 N/A ARG 125.A NH2 ASP 300.A O no hydrogen 2.967 N/A GLY 126.A N GLN 122.A O no hydrogen 3.077 N/A LEU 127.A N ILE 123.A O no hydrogen 2.886 N/A LYS 128.A N LEU 124.A O no hydrogen 2.734 N/A LYS 128.A NZ GLU 301.A O no hydrogen 2.684 N/A TYR 129.A OH HIS 76.A O no hydrogen 3.167 N/A ILE 130.A N GLY 126.A O no hydrogen 2.933 N/A HIS 131.A N LEU 127.A O no hydrogen 2.808 N/A HIS 131.A NE2 ASP 190.A OD2 no hydrogen 2.555 N/A SER 132.A N LYS 128.A O no hydrogen 2.980 N/A SER 132.A OG LYS 128.A O no hydrogen 3.382 N/A SER 132.A OG TYR 129.A O no hydrogen 2.822 N/A ALA 133.A N TYR 129.A O no hydrogen 3.365 N/A ALA 133.A N ILE 130.A O no hydrogen 2.969 N/A ASP 134.A N HIS 131.A O no hydrogen 2.961 N/A HIS 137.A N ASP 190.A OD2 no hydrogen 2.924 N/A HIS 137.A NE2 LEU 156.A O no hydrogen 2.882 N/A ARG 138.A N ASP 190.A OD1 no hydrogen 3.006 N/A ARG 138.A NH1 HIS 137.A O no hydrogen 3.525 N/A ASP 139.A N HIS 137.A ND1 no hydrogen 3.022 N/A LYS 141.A NZ ASP 139.A OD1 no hydrogen 3.296 N/A LYS 141.A NZ ASP 139.A OD2 no hydrogen 2.829 N/A LYS 141.A NZ GLU 167.A OE2 no hydrogen 3.234 N/A LYS 141.A NZ THR 174.A OG1 no hydrogen 3.284 N/A ASN 144.A N LYS 141.A O no hydrogen 2.899 N/A ASN 144.A ND2 ASP 139.A O no hydrogen 3.223 N/A LEU 145.A N PRO 142.A O no hydrogen 3.146 N/A ALA 146.A N LYS 154.A O no hydrogen 2.915 N/A VAL 147.A N ALA 110.A O no hydrogen 3.001 N/A ASN 148.A N GLU 152.A O no hydrogen 3.141 N/A ASN 148.A ND2 GLU 152.A OE1 no hydrogen 3.467 N/A CYS 151.A N ASN 148.A O no hydrogen 3.193 N/A GLU 152.A N ASN 148.A OD1 no hydrogen 3.331 N/A LEU 153.A N GLN 122.A OE1 no hydrogen 2.868 N/A LYS 154.A N ALA 146.A O no hydrogen 2.870 N/A LYS 154.A NZ GLU 80.A O no hydrogen 3.211 N/A ILE 155.A N ASN 81.A O no hydrogen 3.025 N/A LEU 156.A N ASN 144.A O no hydrogen 3.002 N/A PHE 158.A N ASN 144.A OD1 no hydrogen 2.971 N/A GLU 167.A N THR 164.A O no hydrogen 3.360 N/A THR 169.A N VAL 172.A O no hydrogen 3.216 N/A THR 174.A OG1 ASP 139.A OD1 no hydrogen 3.028 N/A ARG 175.A NE GLY 210.A O no hydrogen 3.045 N/A ARG 175.A NH2 ASP 166.A OD1 no hydrogen 3.339 N/A TRP 176.A NE1 GLY 210.A O no hydrogen 3.027 N/A TYR 177.A N THR 174.A O no hydrogen 3.140 N/A TYR 177.A OH GLU 200.A OE1 no hydrogen 2.524 N/A ARG 178.A N ARG 175.A O no hydrogen 3.272 N/A ARG 178.A NH1 ASP 165.A OD1 no hydrogen 3.318 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.968 N/A ILE 182.A N ALA 179.A O no hydrogen 3.085 N/A MET 183.A N ALA 179.A O no hydrogen 3.230 N/A LEU 184.A N PRO 180.A O no hydrogen 3.091 N/A ASN 185.A N GLU 181.A O no hydrogen 2.954 N/A ASN 186.A ND2 THR 188.A OG1 no hydrogen 2.311 N/A GLN 187.A NE2 HIS 131.A O no hydrogen 3.176 N/A THR 188.A OG1 SER 277.A O no hydrogen 3.260 N/A ASP 190.A N GLN 187.A O no hydrogen 3.156 N/A TRP 192.A N THR 188.A O no hydrogen 3.013 N/A SER 193.A N VAL 189.A O no hydrogen 3.456 N/A SER 193.A OG TYR 177.A O no hydrogen 2.721 N/A SER 193.A OG VAL 189.A O no hydrogen 3.356 N/A VAL 194.A N ASP 190.A O no hydrogen 2.913 N/A GLY 195.A N ILE 191.A O no hydrogen 2.896 N/A CYS 196.A N TRP 192.A O no hydrogen 3.152 N/A CYS 196.A SG TRP 176.A O no hydrogen 3.955 N/A CYS 196.A SG TRP 192.A O no hydrogen 3.581 N/A ILE 197.A N SER 193.A O no hydrogen 3.036 N/A MET 198.A N VAL 194.A O no hydrogen 2.927 N/A ALA 199.A N GLY 195.A O no hydrogen 3.088 N/A GLU 200.A N CYS 196.A O no hydrogen 3.354 N/A LEU 201.A N ILE 197.A O no hydrogen 2.992 N/A LEU 202.A N MET 198.A O no hydrogen 3.132 N/A LEU 202.A N ALA 199.A O no hydrogen 3.083 N/A THR 203.A N ALA 199.A O no hydrogen 3.093 N/A THR 203.A OG1 ALA 199.A O no hydrogen 3.260 N/A GLY 204.A N GLU 200.A O no hydrogen 2.883 N/A ARG 205.A N THR 203.A OG1 no hydrogen 3.399 N/A THR 211.A N ASP 215.A OD2 no hydrogen 2.829 N/A THR 211.A OG1 ASP 212.A OD2 no hydrogen 3.001 N/A THR 211.A OG1 ASP 215.A OD2 no hydrogen 3.091 N/A ASP 215.A N ASP 212.A OD1 no hydrogen 3.257 N/A GLN 216.A N ASP 212.A O no hydrogen 2.850 N/A LEU 217.A N HIS 213.A O no hydrogen 3.230 N/A LYS 218.A N ILE 214.A O no hydrogen 3.164 N/A LEU 219.A N ASP 215.A O no hydrogen 2.989 N/A ILE 220.A N GLN 216.A O no hydrogen 2.902 N/A LEU 221.A N LEU 217.A O no hydrogen 2.717 N/A ARG 222.A N LYS 218.A O no hydrogen 2.842 N/A LEU 223.A N LEU 219.A O no hydrogen 3.362 N/A LEU 223.A N ILE 220.A O no hydrogen 2.964 N/A VAL 224.A N ILE 220.A O no hydrogen 3.028 N/A GLY 225.A N LEU 221.A O no hydrogen 2.833 N/A THR 226.A N MET 249.A O no hydrogen 3.347 N/A THR 226.A OG1 MET 249.A O no hydrogen 3.306 N/A LEU 232.A N GLY 228.A O no hydrogen 3.383 N/A LYS 233.A N ALA 229.A O no hydrogen 3.294 N/A LYS 233.A N GLU 230.A O no hydrogen 3.171 N/A LYS 234.A N GLU 230.A O no hydrogen 3.366 N/A LYS 234.A NZ ASP 276.A OD1 no hydrogen 2.881 N/A LYS 234.A NZ ASP 276.A OD2 no hydrogen 2.514 N/A LYS 234.A NZ ASP 278.A OD2 no hydrogen 2.712 N/A ILE 235.A N LEU 232.A O no hydrogen 3.420 N/A ARG 240.A NH1 LEU 232.A O no hydrogen 2.989 N/A ARG 240.A NH1 LYS 233.A O no hydrogen 3.116 N/A ASN 241.A N GLU 238.A O no hydrogen 2.856 N/A TYR 242.A N SER 239.A O no hydrogen 3.238 N/A GLN 244.A N ARG 240.A O no hydrogen 2.943 N/A SER 245.A N ASN 241.A O no hydrogen 3.020 N/A SER 245.A OG ASN 241.A O no hydrogen 3.446 N/A SER 245.A OG TYR 242.A O no hydrogen 2.764 N/A LEU 246.A N ILE 243.A O no hydrogen 3.386 N/A MET 249.A N THR 226.A OG1 no hydrogen 3.093 N/A MET 252.A N LEU 223.A O no hydrogen 3.035 N/A ASN 256.A N ASN 253.A O no hydrogen 3.267 N/A VAL 257.A N PHE 254.A O no hydrogen 3.053 N/A PHE 258.A N PHE 254.A O no hydrogen 2.913 N/A ALA 261.A N PHE 258.A O no hydrogen 3.111 N/A VAL 266.A N ASN 262.A O no hydrogen 3.193 N/A ASP 267.A N PRO 263.A O no hydrogen 2.940 N/A LEU 268.A N LEU 264.A O no hydrogen 2.974 N/A LEU 269.A N ALA 265.A O no hydrogen 3.006 N/A GLU 270.A N VAL 266.A O no hydrogen 3.163 N/A LYS 271.A N ASP 267.A O no hydrogen 3.275 N/A MET 272.A N LEU 268.A O no hydrogen 2.969 N/A MET 272.A N LEU 269.A O no hydrogen 3.036 N/A LEU 273.A N LEU 269.A O no hydrogen 2.882 N/A ASP 278.A N ASP 276.A OD1 no hydrogen 2.967 N/A LYS 279.A N ASP 276.A O no hydrogen 3.179 N/A ARG 280.A N ASP 276.A O no hydrogen 3.267 N/A ARG 280.A NE VAL 274.A O no hydrogen 2.976 N/A ARG 280.A NH1 GLU 181.A OE2 no hydrogen 2.725 N/A ARG 280.A NH1 THR 188.A O no hydrogen 3.287 N/A ARG 280.A NH2 GLU 181.A OE1 no hydrogen 2.757 N/A ARG 280.A NH2 GLU 181.A OE2 no hydrogen 3.200 N/A ARG 280.A NH2 VAL 274.A O no hydrogen 3.210 N/A ARG 280.A NH2 LEU 275.A O no hydrogen 3.166 N/A ILE 281.A N LYS 271.A O no hydrogen 3.064 N/A THR 282.A N GLN 285.A OE1 no hydrogen 2.990 N/A GLN 285.A N THR 282.A OG1 no hydrogen 3.313 N/A ALA 286.A N THR 282.A O no hydrogen 2.859 N/A LEU 287.A N ALA 283.A O no hydrogen 3.111 N/A ALA 288.A N GLN 285.A O no hydrogen 3.092 N/A HIS 289.A N ALA 286.A O no hydrogen 3.269 N/A HIS 289.A NE2 ASP 267.A OD2 no hydrogen 2.920 N/A PHE 292.A N HIS 289.A O no hydrogen 3.131 N/A ALA 293.A N ALA 290.A O no hydrogen 2.938 N/A TYR 295.A N PHE 292.A O no hydrogen 2.751 N/A HIS 296.A N PHE 292.A O no hydrogen 2.904 N/A ASP 297.A N GLU 301.A OE2 no hydrogen 3.117 N/A ASP 299.A N ASP 297.A OD1 no hydrogen 3.284 N/A ASP 300.A N ASP 297.A O no hydrogen 2.969 N/A ALA 304.A N SER 132.A OG no hydrogen 2.990 N/A GLN 309.A NE2 ASP 134.A O no hydrogen 2.953 N/A SER 310.A N ASP 308.A OD1 no hydrogen 3.061 N/A SER 310.A OG ASP 308.A OD1 no hydrogen 2.973 N/A GLU 312.A N GLN 309.A O no hydrogen 3.072 N/A SER 313.A N SER 310.A O no hydrogen 3.476 N/A SER 313.A OG SER 310.A O no hydrogen 3.094 N/A ARG 314.A N PHE 311.A O no hydrogen 2.981 N/A LEU 317.A N GLU 320.A OE2 no hydrogen 3.002 N/A GLU 320.A N LEU 317.A O no hydrogen 3.152 N/A TRP 321.A N LEU 317.A O no hydrogen 3.154 N/A LYS 322.A N ILE 318.A O no hydrogen 2.766 N/A LYS 322.A NZ PHE 98.A O no hydrogen 3.269 N/A SER 323.A N ASP 319.A O no hydrogen 2.871 N/A SER 323.A OG ASP 319.A O no hydrogen 3.299 N/A SER 323.A OG GLU 320.A O no hydrogen 3.149 N/A LEU 324.A N GLU 320.A O no hydrogen 2.836 N/A THR 325.A N TRP 321.A O no hydrogen 3.014 N/A THR 325.A OG1 TRP 321.A O no hydrogen 2.866 N/A TYR 326.A N LYS 322.A O no hydrogen 2.781 N/A ASP 327.A N SER 323.A O no hydrogen 3.361 N/A VAL 329.A N THR 325.A O no hydrogen 2.876 N/A ILE 330.A N TYR 326.A O no hydrogen 2.938 N/A SER 331.A N ASP 327.A O no hydrogen 3.041 N/A SER 331.A OG ASP 327.A O no hydrogen 3.149 N/A PHE 332.A N VAL 329.A O no hydrogen 3.407 N/A