Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2exx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH HIS 114.A O no hydrogen 2.927 N/A LYS 3.A NZ GLU 212.A OE1 no hydrogen 3.132 N/A LEU 7.A N LYS 3.A O no hydrogen 3.120 N/A MET 8.A N LYS 4.A O no hydrogen 3.253 N/A MET 8.A N ALA 5.A O no hydrogen 3.303 N/A VAL 9.A N GLY 6.A O no hydrogen 3.051 N/A LYS 11.A NZ THR 36.A O no hydrogen 2.355 N/A LYS 12.A NZ GLY 6.A O no hydrogen 3.322 N/A VAL 14.A N LYS 38.A O no hydrogen 2.897 N/A VAL 15.A N ALA 81.A O no hydrogen 2.913 N/A VAL 16.A N ARG 40.A O no hydrogen 2.684 N/A PHE 17.A N PHE 83.A O no hydrogen 3.146 N/A THR 20.A OG1 THR 43.A OG1 no hydrogen 3.365 N/A GLY 21.A N GLY 18.A O no hydrogen 2.599 N/A GLN 23.A NE2 SER 119.A OG no hydrogen 2.757 N/A GLY 25.A N GLY 21.A O no hydrogen 2.802 N/A SER 26.A N ALA 22.A O no hydrogen 3.164 N/A SER 26.A OG SER 198.A O no hydrogen 2.930 N/A VAL 27.A N GLN 23.A O no hydrogen 3.198 N/A ALA 28.A N GLY 24.A O no hydrogen 2.990 N/A ARG 29.A N GLY 25.A O no hydrogen 3.006 N/A THR 30.A N SER 26.A O no hydrogen 3.124 N/A THR 30.A OG1 SER 26.A O no hydrogen 3.065 N/A LEU 31.A N VAL 27.A O no hydrogen 2.948 N/A LEU 32.A N ALA 28.A O no hydrogen 2.821 N/A GLU 33.A N ARG 29.A O no hydrogen 2.982 N/A ASP 34.A N THR 30.A O no hydrogen 2.974 N/A GLY 35.A N LEU 31.A O no hydrogen 2.883 N/A THR 36.A N ASP 34.A OD2 no hydrogen 3.073 N/A THR 36.A OG1 ASP 34.A OD2 no hydrogen 2.206 N/A LYS 38.A N LYS 12.A O no hydrogen 3.035 N/A ARG 40.A N VAL 14.A O no hydrogen 3.147 N/A ARG 40.A NE GLU 60.A OE1 no hydrogen 2.636 N/A ARG 40.A NH1 ALA 75.A O no hydrogen 3.068 N/A ARG 40.A NH1 ASN 77.A O no hydrogen 3.160 N/A ARG 40.A NH2 GLU 60.A OE1 no hydrogen 3.064 N/A ARG 40.A NH2 GLU 60.A OE2 no hydrogen 3.464 N/A VAL 41.A N GLU 60.A O no hydrogen 2.827 N/A VAL 42.A N VAL 16.A O no hydrogen 3.049 N/A THR 43.A N VAL 62.A O no hydrogen 2.980 N/A THR 43.A OG1 THR 20.A OG1 no hydrogen 3.365 N/A ARG 44.A NH1 GLU 90.A OE2 no hydrogen 3.044 N/A ARG 47.A N ASN 45.A OD1 no hydrogen 2.898 N/A LYS 48.A N ASN 45.A O no hydrogen 3.090 N/A LYS 52.A N LYS 48.A O no hydrogen 3.000 N/A GLU 53.A N LYS 49.A O no hydrogen 3.242 N/A LEU 54.A N ALA 50.A O no hydrogen 3.306 N/A ARG 55.A N ALA 51.A O no hydrogen 3.122 N/A LEU 56.A N LYS 52.A O no hydrogen 3.005 N/A GLN 57.A N GLU 53.A O no hydrogen 2.912 N/A GLN 57.A N LEU 54.A O no hydrogen 3.072 N/A GLY 58.A N ARG 55.A O no hydrogen 3.126 N/A ALA 59.A N LEU 54.A O no hydrogen 3.130 N/A GLU 60.A N VAL 39.A O no hydrogen 3.073 N/A VAL 62.A N VAL 41.A O no hydrogen 2.993 N/A GLN 63.A NE2 ARG 44.A O no hydrogen 2.757 N/A GLY 64.A N THR 43.A O no hydrogen 2.657 N/A ASP 67.A N ASP 65.A OD1 no hydrogen 2.824 N/A ASP 68.A N ASP 65.A O no hydrogen 2.828 N/A ILE 71.A N ASP 68.A OD1 no hydrogen 3.163 N/A MET 72.A N ASP 68.A O no hydrogen 2.834 N/A GLU 73.A N GLN 69.A O no hydrogen 2.686 N/A ALA 75.A N MET 72.A O no hydrogen 2.901 N/A LEU 76.A N MET 72.A O no hydrogen 3.050 N/A TYR 80.A N LEU 13.A O no hydrogen 2.607 N/A ALA 81.A N LEU 13.A O no hydrogen 3.278 N/A THR 82.A N TYR 115.A O no hydrogen 3.274 N/A THR 82.A OG1 VAL 15.A O no hydrogen 2.586 N/A PHE 83.A N VAL 15.A O no hydrogen 2.923 N/A ILE 84.A N VAL 117.A O no hydrogen 2.915 N/A THR 86.A OG1 GLU 97.A OE2 no hydrogen 2.703 N/A GLU 90.A N ASN 87.A O no hydrogen 2.882 N/A CYS 92.A N TYR 88.A O no hydrogen 2.686 N/A GLN 96.A N SER 93.A O no hydrogen 2.966 N/A GLN 96.A N SER 93.A OG no hydrogen 2.849 N/A GLN 96.A NE2 ASP 67.A OD1 no hydrogen 2.680 N/A GLN 96.A NE2 GLN 100.A OE1 no hydrogen 3.659 N/A GLU 97.A N SER 93.A O no hydrogen 3.129 N/A VAL 98.A N GLN 94.A O no hydrogen 3.213 N/A LYS 99.A N GLU 95.A O no hydrogen 3.073 N/A GLN 100.A N GLN 96.A O no hydrogen 2.945 N/A GLY 101.A N GLU 97.A O no hydrogen 2.825 N/A LYS 102.A N VAL 98.A O no hydrogen 2.781 N/A LEU 103.A N LYS 99.A O no hydrogen 2.957 N/A LEU 104.A N GLN 100.A O no hydrogen 3.096 N/A ALA 105.A N GLY 101.A O no hydrogen 2.820 N/A ASP 106.A N LYS 102.A O no hydrogen 2.706 N/A LEU 107.A N LEU 103.A O no hydrogen 3.055 N/A ALA 108.A N LEU 104.A O no hydrogen 2.924 N/A ARG 109.A N ALA 105.A O no hydrogen 3.036 N/A ARG 110.A N ASP 106.A O no hydrogen 2.906 N/A ARG 110.A NH1 GLN 69.A OE1 no hydrogen 3.088 N/A ARG 110.A NH2 GLN 69.A OE1 no hydrogen 3.449 N/A LEU 111.A N LEU 107.A O no hydrogen 2.748 N/A GLY 112.A N ARG 109.A O no hydrogen 2.871 N/A LEU 113.A N ALA 108.A O no hydrogen 2.870 N/A HIS 114.A N TYR 80.A O no hydrogen 3.113 N/A HIS 114.A NE2 TYR 2.A O no hydrogen 3.053 N/A TYR 115.A OH THR 155.A OG1 no hydrogen 2.779 N/A VAL 116.A N PRO 153.A O no hydrogen 2.956 N/A VAL 117.A N THR 82.A O no hydrogen 3.003 N/A TYR 118.A N THR 155.A O no hydrogen 2.994 N/A SER 119.A N ILE 84.A O no hydrogen 2.925 N/A SER 119.A OG VAL 157.A O no hydrogen 3.562 N/A GLY 120.A N SER 156.A OG no hydrogen 3.196 N/A ASN 123.A ND2 ASP 138.A OD1 no hydrogen 3.015 N/A LYS 125.A N ASP 138.A OD1 no hydrogen 2.861 N/A LYS 126.A NZ GLU 145.A OE1 no hydrogen 3.344 N/A LEU 127.A N ASN 123.A O no hydrogen 2.975 N/A THR 128.A N ILE 124.A O no hydrogen 2.982 N/A ALA 129.A N LYS 126.A O no hydrogen 2.857 N/A GLY 130.A N LYS 125.A O no hydrogen 2.585 N/A ARG 131.A N THR 128.A O no hydrogen 3.191 N/A ALA 134.A N ASP 138.A OD2 no hydrogen 2.963 N/A ALA 135.A N ASP 263.A OD1 no hydrogen 2.823 N/A HIS 136.A N HIS 136.A ND1 no hydrogen 2.788 N/A PHE 137.A N ALA 134.A O no hydrogen 2.952 N/A ASP 138.A N ALA 134.A O no hydrogen 2.916 N/A GLY 141.A N PHE 137.A O no hydrogen 3.047 N/A GLU 142.A N ASP 138.A O no hydrogen 3.162 N/A VAL 143.A N GLY 139.A O no hydrogen 3.025 N/A GLU 144.A N LYS 140.A O no hydrogen 2.849 N/A GLU 145.A N GLY 141.A O no hydrogen 3.219 N/A TYR 146.A N GLU 142.A O no hydrogen 2.894 N/A TYR 146.A OH ASP 106.A OD1 no hydrogen 2.562 N/A PHE 147.A N VAL 143.A O no hydrogen 3.019 N/A ARG 148.A NE GLU 144.A O no hydrogen 3.400 N/A ASP 149.A N GLU 145.A O no hydrogen 3.034 N/A ILE 150.A N TYR 146.A O no hydrogen 3.059 N/A GLY 151.A N ARG 148.A O no hydrogen 3.123 N/A VAL 152.A N PHE 147.A O no hydrogen 2.962 N/A THR 155.A N VAL 116.A O no hydrogen 2.858 N/A THR 155.A OG1 TYR 115.A OH no hydrogen 2.779 N/A THR 155.A OG1 TYR 214.A O no hydrogen 2.958 N/A SER 156.A N GLN 217.A O no hydrogen 3.046 N/A SER 156.A OG TYR 118.A O no hydrogen 3.264 N/A SER 156.A OG GLU 144.A OE2 no hydrogen 2.468 N/A VAL 157.A N TYR 118.A O no hydrogen 2.930 N/A ARG 158.A N ILE 219.A O no hydrogen 2.620 N/A ARG 158.A NE GLU 144.A OE2 no hydrogen 3.049 N/A ARG 158.A NH2 GLU 144.A OE1 no hydrogen 2.693 N/A CYS 161.A SG TYR 162.A O no hydrogen 3.645 N/A TYR 162.A OH GLN 23.A OE1 no hydrogen 2.917 N/A PHE 163.A N MET 195.A O no hydrogen 3.033 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.717 N/A ASN 165.A N TYR 162.A O no hydrogen 2.855 N/A LEU 166.A N PHE 163.A O no hydrogen 2.727 N/A LEU 167.A N GLU 164.A O no hydrogen 2.966 N/A SER 168.A N ASN 165.A O no hydrogen 3.187 N/A PHE 170.A N ASN 165.A O no hydrogen 2.934 N/A LEU 171.A N SER 168.A O no hydrogen 3.272 N/A GLN 173.A N LEU 182.A O no hydrogen 3.127 N/A ALA 175.A N SER 180.A O no hydrogen 2.783 N/A GLY 178.A N ALA 175.A O no hydrogen 2.850 N/A LYS 179.A N ASP 177.A OD1 no hydrogen 2.698 N/A SER 180.A OG ASP 177.A OD1 no hydrogen 3.382 N/A SER 180.A OG ASP 177.A OD2 no hydrogen 3.539 N/A TYR 181.A N VAL 242.A O no hydrogen 2.854 N/A LEU 182.A N GLN 173.A O no hydrogen 2.729 N/A LEU 183.A N HIS 244.A O no hydrogen 2.857 N/A THR 187.A N LEU 185.A O no hydrogen 2.384 N/A THR 187.A OG1 VAL 190.A O no hydrogen 2.921 N/A VAL 190.A N THR 187.A O no hydrogen 3.473 N/A MET 192.A N HIS 226.A O no hydrogen 2.763 N/A GLY 194.A N CYS 224.A O no hydrogen 3.124 N/A SER 196.A OG GLU 164.A OE2 no hydrogen 2.911 N/A VAL 197.A N GLU 164.A OE1 no hydrogen 3.134 N/A SER 198.A N SER 196.A OG no hydrogen 3.311 N/A ASP 199.A N SER 196.A O no hydrogen 2.709 N/A LEU 200.A N VAL 197.A O no hydrogen 3.041 N/A GLY 201.A N SER 26.A OG no hydrogen 2.876 N/A VAL 204.A N LEU 200.A O no hydrogen 3.130 N/A LEU 205.A N GLY 201.A O no hydrogen 2.977 N/A SER 206.A N PRO 202.A O no hydrogen 2.984 N/A SER 206.A OG PRO 202.A O no hydrogen 3.353 N/A SER 206.A OG LEU 285.A O no hydrogen 2.635 N/A LEU 207.A N VAL 203.A O no hydrogen 3.165 N/A LEU 208.A N VAL 204.A O no hydrogen 2.974 N/A LYS 209.A N LEU 205.A O no hydrogen 3.111 N/A LYS 209.A NZ ASP 34.A OD1 no hydrogen 3.357 N/A MET 210.A N LEU 207.A O no hydrogen 3.215 N/A LYS 213.A N MET 210.A O no hydrogen 3.098 N/A TYR 214.A N PRO 211.A O no hydrogen 2.912 N/A VAL 215.A N PRO 211.A O no hydrogen 2.905 N/A GLY 216.A N MET 154.A O no hydrogen 3.002 N/A GLN 217.A N TYR 214.A O no hydrogen 3.078 N/A ILE 219.A N SER 156.A O no hydrogen 2.646 N/A LEU 221.A N ARG 158.A O no hydrogen 2.879 N/A SER 222.A N THR 282.A OG1 no hydrogen 2.905 N/A SER 222.A OG ASP 193.A OD2 no hydrogen 2.747 N/A THR 223.A N GLY 194.A O no hydrogen 2.978 N/A THR 223.A OG1 LEU 290.A O no hydrogen 3.128 N/A ARG 225.A NE ASP 193.A OD2 no hydrogen 3.127 N/A ARG 225.A NH2 ASP 193.A OD2 no hydrogen 2.973 N/A ARG 225.A NH2 ARG 277.A O no hydrogen 2.764 N/A HIS 226.A N MET 192.A O no hydrogen 3.067 N/A THR 227.A N GLU 230.A OE2 no hydrogen 2.915 N/A GLU 230.A N THR 227.A OG1 no hydrogen 3.180 N/A TYR 231.A N THR 227.A O no hydrogen 2.959 N/A ALA 232.A N ALA 228.A O no hydrogen 2.859 N/A ALA 233.A N GLU 229.A O no hydrogen 2.946 N/A LEU 234.A N GLU 230.A O no hydrogen 2.943 N/A LEU 235.A N TYR 231.A O no hydrogen 2.932 N/A THR 236.A N ALA 232.A O no hydrogen 2.960 N/A THR 236.A OG1 ALA 232.A O no hydrogen 2.891 N/A LYS 237.A N ALA 233.A O no hydrogen 3.194 N/A HIS 238.A N LEU 234.A O no hydrogen 3.031 N/A HIS 238.A NE2 ASP 293.A OD1 no hydrogen 2.595 N/A THR 239.A N LEU 235.A O no hydrogen 2.859 N/A THR 239.A OG1 LEU 235.A O no hydrogen 2.731 N/A ARG 240.A NH1 THR 239.A O no hydrogen 2.752 N/A LYS 241.A NZ TYR 181.A OH no hydrogen 3.145 N/A LYS 241.A NZ LEU 305.A O no hydrogen 2.515 N/A VAL 243.A N THR 236.A OG1 no hydrogen 3.029 N/A HIS 244.A N TYR 181.A O no hydrogen 2.892 N/A ALA 246.A N LEU 183.A O no hydrogen 2.921 N/A LYS 247.A N ASP 245.A OD1 no hydrogen 3.216 N/A LYS 247.A NZ GLU 229.A OE2 no hydrogen 2.721 N/A LYS 247.A NZ ASP 245.A OD2 no hydrogen 2.879 N/A THR 249.A OG1 ASP 252.A OD2 no hydrogen 2.746 N/A ASP 252.A N THR 249.A OG1 no hydrogen 3.410 N/A TYR 253.A N THR 249.A O no hydrogen 2.923 N/A GLU 254.A N PRO 250.A O no hydrogen 2.901 N/A LYS 255.A N ASP 252.A O no hydrogen 3.347 N/A LEU 256.A N TYR 253.A O no hydrogen 2.982 N/A ALA 261.A N PHE 258.A O no hydrogen 3.023 N/A LEU 264.A N GLY 260.A O no hydrogen 3.073 N/A ALA 265.A N ALA 261.A O no hydrogen 2.921 N/A ASN 266.A N ARG 262.A O no hydrogen 2.996 N/A MET 267.A N ASP 263.A O no hydrogen 2.934 N/A PHE 268.A N LEU 264.A O no hydrogen 2.818 N/A ARG 269.A N ALA 265.A O no hydrogen 3.047 N/A ARG 269.A NH1 GLU 254.A OE2 no hydrogen 3.365 N/A ARG 269.A NH2 GLU 254.A OE1 no hydrogen 3.088 N/A PHE 270.A N ASN 266.A O no hydrogen 3.038 N/A TYR 271.A N MET 267.A O no hydrogen 2.920 N/A ALA 272.A N PHE 268.A O no hydrogen 2.999 N/A LEU 273.A N PHE 270.A O no hydrogen 2.924 N/A ARG 274.A N TYR 271.A O no hydrogen 2.987 N/A ARG 277.A NH1 GLU 122.A OE1 no hydrogen 2.921 N/A ARG 277.A NH1 GLU 122.A OE2 no hydrogen 3.022 N/A ARG 277.A NH2 GLU 122.A OE2 no hydrogen 3.479 N/A ARG 277.A NH2 LEU 159.A O no hydrogen 3.349 N/A ASP 278.A N GLY 220.A O no hydrogen 2.830 N/A LEU 281.A N ASP 278.A OD1 no hydrogen 3.012 N/A THR 282.A N ASP 278.A O no hydrogen 3.100 N/A THR 282.A OG1 ASP 278.A O no hydrogen 2.683 N/A LEU 283.A N ILE 279.A O no hydrogen 2.949 N/A ARG 284.A N GLU 280.A O no hydrogen 3.073 N/A ARG 284.A N LEU 281.A O no hydrogen 2.987 N/A LEU 285.A N LEU 281.A O no hydrogen 3.059 N/A ASN 286.A N THR 282.A O no hydrogen 3.014 N/A ASN 286.A ND2 ASP 199.A O no hydrogen 2.903 N/A LYS 288.A N ASN 286.A OD1 no hydrogen 2.960 N/A ALA 289.A N ASN 286.A O no hydrogen 2.930 N/A LEU 290.A N ASP 199.A OD2 no hydrogen 2.716 N/A THR 291.A N GLN 294.A OE1 no hydrogen 2.672 N/A TRP 295.A N THR 291.A O no hydrogen 2.895 N/A LEU 296.A N LEU 292.A O no hydrogen 3.081 N/A GLU 297.A N ASP 293.A O no hydrogen 3.309 N/A GLN 298.A N GLN 294.A O no hydrogen 3.365 N/A HIS 299.A N LEU 296.A O no hydrogen 3.159 N/A HIS 299.A ND1 ASP 302.A OD2 no hydrogen 2.716 N/A LYS 300.A N LEU 296.A O no hydrogen 2.506 N/A LYS 300.A NZ GLU 297.A O no hydrogen 3.325 N/A ASP 302.A N HIS 299.A O no hydrogen 2.964 N/A