Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pdc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 7.A SG ARG 50.A O no hydrogen 3.802 N/A ASP 11.A N ASN 8.A O no hydrogen 3.136 N/A MET 12.A N PRO 9.A O no hydrogen 3.185 N/A HIS 14.A ND1 HIS 26.A NE2 no hydrogen 3.092 N/A HIS 14.A NE2 PRO 9.A O no hydrogen 3.033 N/A GLY 15.A N PHE 27.A O no hydrogen 2.917 N/A TYR 16.A OH GLU 73.A OE1 no hydrogen 3.254 N/A VAL 17.A N LEU 25.A O no hydrogen 2.979 N/A VAL 19.A N VAL 23.A O no hydrogen 3.007 N/A VAL 23.A N LYS 20.A O no hydrogen 3.115 N/A ARG 24.A N SER 75.A OG no hydrogen 2.801 N/A LEU 25.A N VAL 17.A O no hydrogen 3.201 N/A HIS 26.A N SER 74.A OG no hydrogen 2.811 N/A HIS 26.A ND1 ASP 67.A OD2 no hydrogen 3.125 N/A HIS 26.A NE2 HIS 14.A ND1 no hydrogen 3.092 N/A PHE 27.A N GLY 15.A O no hydrogen 3.059 N/A VAL 28.A N ALA 65.A O no hydrogen 2.938 N/A GLU 29.A N SER 13.A O no hydrogen 2.977 N/A LEU 30.A N VAL 63.A O no hydrogen 3.025 N/A VAL 36.A N ARG 62.A O no hydrogen 2.782 N/A CYS 37.A N VAL 105.A O no hydrogen 2.874 N/A CYS 37.A SG LEU 64.A O no hydrogen 3.930 N/A LEU 38.A N LEU 64.A O no hydrogen 2.874 N/A CYS 39.A N ILE 107.A O no hydrogen 3.005 N/A HIS 40.A ND1 GLY 41.A O no hydrogen 2.725 N/A PHE 42.A N ASP 110.A OD1 no hydrogen 2.740 N/A GLU 44.A N GLY 41.A O no hydrogen 2.778 N/A TYR 47.A N SER 45.A OG no hydrogen 2.978 N/A SER 48.A N SER 45.A O no hydrogen 3.343 N/A SER 48.A OG GLU 44.A OE2 no hydrogen 3.227 N/A SER 48.A OG SER 45.A O no hydrogen 3.497 N/A SER 48.A OG TYR 225.A OH no hydrogen 2.741 N/A TRP 49.A N TRP 46.A O no hydrogen 2.991 N/A ARG 50.A N TYR 47.A O no hydrogen 2.839 N/A ARG 50.A NH1 TYR 47.A O no hydrogen 3.075 N/A ARG 50.A NH1 TYR 225.A OH no hydrogen 3.188 N/A ILE 53.A N TRP 49.A O no hydrogen 2.820 N/A LEU 56.A N GLN 52.A O no hydrogen 2.895 N/A ALA 57.A N ILE 53.A O no hydrogen 3.158 N/A GLN 58.A N PRO 54.A O no hydrogen 2.906 N/A ALA 59.A N ALA 55.A O no hydrogen 2.803 N/A GLY 60.A N ALA 57.A O no hydrogen 2.997 N/A TYR 61.A N LEU 56.A O no hydrogen 3.172 N/A TYR 61.A OH ASP 318.A OD1 no hydrogen 2.691 N/A ARG 62.A N PRO 34.A O no hydrogen 2.939 N/A ARG 62.A NE GLU 29.A OE2 no hydrogen 2.858 N/A ARG 62.A NH2 GLU 29.A OE2 no hydrogen 2.963 N/A VAL 63.A N LEU 30.A O no hydrogen 2.764 N/A LEU 64.A N VAL 36.A O no hydrogen 2.921 N/A ALA 65.A N VAL 28.A O no hydrogen 2.709 N/A MET 66.A N LEU 38.A O no hydrogen 2.796 N/A ASP 67.A N HIS 26.A O no hydrogen 3.069 N/A LYS 69.A NZ GLU 82.A O no hydrogen 2.796 N/A LYS 69.A NZ GLU 82.A OE1 no hydrogen 3.060 N/A LYS 69.A NZ GLU 91.A OE1 no hydrogen 3.301 N/A LYS 69.A NZ GLU 91.A OE2 no hydrogen 3.086 N/A GLY 70.A N SER 75.A O no hydrogen 3.061 N/A TYR 71.A N MET 68.A O no hydrogen 2.938 N/A GLU 73.A N ASP 67.A OD2 no hydrogen 2.955 N/A SER 74.A OG ASP 67.A O no hydrogen 2.663 N/A SER 75.A N ARG 24.A O no hydrogen 2.933 N/A SER 75.A OG ARG 24.A O no hydrogen 3.472 N/A GLU 82.A N GLU 79.A O no hydrogen 3.207 N/A TYR 83.A N ILE 80.A O no hydrogen 2.805 N/A TYR 83.A OH PRO 77.A O no hydrogen 3.323 N/A CYS 84.A N GLU 81.A O no hydrogen 3.328 N/A CYS 84.A SG GLU 81.A O no hydrogen 3.070 N/A MET 85.A N ASN 247.A OD1 no hydrogen 2.688 N/A LEU 88.A N CYS 84.A O no hydrogen 3.226 N/A CYS 89.A N MET 85.A O no hydrogen 2.795 N/A CYS 89.A SG LEU 115.A O no hydrogen 3.898 N/A LYS 90.A N GLU 86.A O no hydrogen 2.902 N/A LYS 90.A NZ GLU 86.A OE2 no hydrogen 3.266 N/A LYS 90.A NZ TYR 123.A OH no hydrogen 3.191 N/A GLU 91.A N VAL 87.A O no hydrogen 2.940 N/A MET 92.A N CYS 89.A O no hydrogen 2.983 N/A VAL 93.A N CYS 89.A O no hydrogen 3.330 N/A THR 94.A N LYS 90.A O no hydrogen 3.114 N/A THR 94.A OG1 LYS 90.A O no hydrogen 2.934 N/A PHE 95.A N GLU 91.A O no hydrogen 2.719 N/A LEU 96.A N MET 92.A O no hydrogen 3.031 N/A ASP 97.A N VAL 93.A O no hydrogen 2.865 N/A LYS 98.A N THR 94.A O no hydrogen 2.978 N/A LEU 99.A N PHE 95.A O no hydrogen 3.302 N/A GLY 100.A N ASP 97.A O no hydrogen 2.763 N/A LEU 101.A N LEU 96.A O no hydrogen 2.879 N/A GLN 103.A NE2 PRO 124.A O no hydrogen 3.477 N/A GLN 103.A NE2 GLU 125.A O no hydrogen 3.273 N/A ALA 104.A N ARG 126.A O no hydrogen 2.997 N/A VAL 105.A N ALA 35.A O no hydrogen 2.986 N/A PHE 106.A N ALA 129.A O no hydrogen 3.099 N/A ILE 107.A N CYS 37.A O no hydrogen 3.095 N/A GLY 108.A N ALA 131.A O no hydrogen 2.939 N/A HIS 109.A NE2 HIS 299.A O no hydrogen 3.004 N/A ASP 110.A N LEU 133.A O no hydrogen 3.475 N/A GLY 112.A N HIS 109.A O no hydrogen 3.070 N/A GLY 113.A N ASP 110.A O no hydrogen 2.882 N/A MET 114.A N ASP 110.A O no hydrogen 3.135 N/A LEU 115.A N TRP 111.A O no hydrogen 2.890 N/A VAL 116.A N GLY 112.A O no hydrogen 2.947 N/A TRP 117.A N GLY 113.A O no hydrogen 3.269 N/A TRP 117.A N MET 114.A O no hydrogen 3.035 N/A TRP 117.A NE1 THR 135.A O no hydrogen 2.950 N/A TYR 118.A N MET 114.A O no hydrogen 3.254 N/A MET 119.A N LEU 115.A O no hydrogen 3.065 N/A ALA 120.A N TRP 117.A O no hydrogen 3.066 N/A LEU 121.A N TRP 117.A O no hydrogen 3.070 N/A LEU 121.A N TYR 118.A O no hydrogen 3.090 N/A PHE 122.A N TYR 118.A O no hydrogen 2.986 N/A ARG 126.A N TYR 123.A O no hydrogen 2.781 N/A ARG 126.A NH1 LEU 101.A O no hydrogen 3.124 N/A ARG 126.A NH1 SER 102.A O no hydrogen 2.599 N/A VAL 127.A N PRO 124.A O no hydrogen 3.109 N/A ARG 128.A N ALA 104.A O no hydrogen 3.126 N/A ARG 128.A NE ALA 321.A O no hydrogen 2.852 N/A ARG 128.A NH1 ARG 128.A O no hydrogen 3.000 N/A VAL 130.A N PRO 262.A O no hydrogen 2.839 N/A ALA 131.A N PHE 106.A O no hydrogen 2.992 N/A SER 132.A N LEU 264.A O no hydrogen 2.953 N/A SER 132.A OG THR 135.A O no hydrogen 2.545 N/A LEU 133.A N GLY 108.A O no hydrogen 2.930 N/A ASN 134.A N VAL 266.A O no hydrogen 2.792 N/A ASN 134.A ND2 ASP 271.A OD2 no hydrogen 2.750 N/A ASN 134.A ND2 HIS 299.A ND1 no hydrogen 3.608 N/A THR 135.A N LEU 133.A O no hydrogen 2.768 N/A THR 135.A OG1 ASP 110.A O no hydrogen 2.699 N/A THR 135.A OG1 LEU 133.A O no hydrogen 3.481 N/A SER 149.A N PRO 146.A O no hydrogen 3.423 N/A SER 149.A OG SER 145.A O no hydrogen 2.963 N/A ILE 150.A N PRO 146.A O no hydrogen 3.055 N/A ALA 152.A N SER 149.A O no hydrogen 3.147 N/A PHE 156.A N ASN 153.A O no hydrogen 3.285 N/A TYR 158.A N VAL 155.A O no hydrogen 3.492 N/A GLN 159.A N PHE 156.A O no hydrogen 2.941 N/A TYR 161.A N ASP 157.A O no hydrogen 3.255 N/A TYR 161.A OH GLU 171.A OE1 no hydrogen 2.729 N/A PHE 162.A N GLN 159.A O no hydrogen 2.835 N/A GLN 163.A N GLN 159.A O no hydrogen 3.010 N/A GLN 163.A NE2 GLN 159.A O no hydrogen 3.357 N/A GLN 163.A NE2 TYR 241.A O no hydrogen 2.880 N/A GLY 166.A N GLU 169.A OE1 no hydrogen 3.276 N/A GLY 166.A N GLU 169.A OE2 no hydrogen 2.938 N/A ALA 170.A N GLY 166.A O no hydrogen 3.184 N/A LEU 172.A N ALA 168.A O no hydrogen 3.024 N/A GLU 173.A N GLU 169.A O no hydrogen 2.764 N/A GLN 174.A N GLU 171.A O no hydrogen 3.067 N/A ARG 178.A N ASN 175.A OD1 no hydrogen 3.082 N/A ARG 178.A NE PRO 208.A O no hydrogen 3.155 N/A THR 179.A N ASN 175.A O no hydrogen 2.791 N/A THR 179.A OG1 LEU 172.A O no hydrogen 3.197 N/A THR 179.A OG1 ASN 175.A O no hydrogen 2.492 N/A PHE 180.A N LEU 176.A O no hydrogen 3.066 N/A LYS 181.A N SER 177.A O no hydrogen 2.915 N/A LYS 181.A NZ GLU 219.A OE1 no hydrogen 2.805 N/A LYS 181.A NZ GLU 219.A OE2 no hydrogen 3.364 N/A SER 182.A N ARG 178.A O no hydrogen 2.658 N/A SER 182.A OG ARG 178.A O no hydrogen 2.651 N/A LEU 183.A N THR 179.A O no hydrogen 3.160 N/A PHE 184.A N PHE 180.A O no hydrogen 2.997 N/A ARG 185.A NE GLU 189.A O no hydrogen 2.899 N/A ARG 185.A NH1 LYS 181.A O no hydrogen 3.534 N/A ARG 185.A NH2 GLU 189.A O no hydrogen 3.476 N/A ARG 185.A NH2 SER 212.A OG no hydrogen 3.193 N/A GLU 189.A N ALA 186.A O no hydrogen 3.003 N/A SER 190.A N SER 187.A O no hydrogen 3.029 N/A CYS 198.A N ASP 157.A OD2 no hydrogen 3.180 N/A CYS 198.A SG ASP 157.A O no hydrogen 3.772 N/A CYS 198.A SG ASP 157.A OD1 no hydrogen 3.291 N/A CYS 198.A SG ASP 157.A OD2 no hydrogen 3.645 N/A ALA 200.A N LYS 196.A O no hydrogen 3.207 N/A GLY 201.A N CYS 198.A O no hydrogen 3.256 N/A GLY 202.A N VAL 197.A O no hydrogen 3.049 N/A LEU 203.A N GLU 171.A OE1 no hydrogen 3.154 N/A LEU 203.A N GLU 171.A OE2 no hydrogen 2.850 N/A PHE 204.A N GLU 171.A OE2 no hydrogen 2.981 N/A ASN 206.A ND2 SER 193.A OG no hydrogen 3.299 N/A SER 207.A OG VAL 191.A O no hydrogen 3.122 N/A SER 207.A OG ASN 206.A O no hydrogen 2.746 N/A SER 214.A OG GLU 189.A OE2 no hydrogen 2.906 N/A ARG 215.A N GLU 189.A OE2 no hydrogen 3.330 N/A ARG 215.A NH1 ASP 188.A OD1 no hydrogen 2.921 N/A ARG 215.A NH2 ASP 188.A OD1 no hydrogen 3.240 N/A ARG 215.A NH2 ASP 188.A OD2 no hydrogen 2.764 N/A MET 216.A N SER 214.A OG no hydrogen 3.280 N/A THR 218.A N GLU 221.A OE1 no hydrogen 3.210 N/A THR 218.A OG1 GLU 220.A OE1 no hydrogen 3.540 N/A GLU 221.A N THR 218.A OG1 no hydrogen 3.223 N/A ILE 222.A N THR 218.A O no hydrogen 3.390 N/A GLN 223.A N GLU 219.A O no hydrogen 2.899 N/A GLN 223.A NE2 SER 177.A OG no hydrogen 3.218 N/A PHE 224.A N GLU 220.A O no hydrogen 2.933 N/A PHE 224.A N GLU 221.A O no hydrogen 3.179 N/A TYR 225.A N GLU 221.A O no hydrogen 3.278 N/A TYR 225.A OH SER 48.A OG no hydrogen 2.741 N/A VAL 226.A N GLN 223.A O no hydrogen 3.301 N/A GLN 227.A N GLN 223.A O no hydrogen 3.079 N/A GLN 228.A N PHE 224.A O no hydrogen 3.002 N/A LYS 230.A N GLN 227.A O no hydrogen 3.324 N/A LYS 231.A NZ GLY 72.A O no hydrogen 3.270 N/A SER 232.A OG GLY 70.A O no hydrogen 3.447 N/A PHE 234.A N GLU 173.A OE2 no hydrogen 3.158 N/A LEU 238.A N PHE 234.A O no hydrogen 2.817 N/A ASN 239.A N ARG 235.A O no hydrogen 2.967 N/A ASN 239.A N GLY 236.A O no hydrogen 2.841 N/A ASN 239.A ND2 PRO 78.A O no hydrogen 3.369 N/A TRP 240.A NE1 LYS 69.A O no hydrogen 3.370 N/A TYR 241.A N LEU 238.A O no hydrogen 3.088 N/A ARG 242.A N ASN 239.A O no hydrogen 2.882 N/A ARG 242.A NE PHE 162.A O no hydrogen 3.205 N/A ARG 242.A NE GLN 163.A O no hydrogen 3.212 N/A ARG 242.A NH1 GLU 169.A OE2 no hydrogen 3.021 N/A ARG 242.A NH1 ASN 239.A OD1 no hydrogen 2.999 N/A ARG 242.A NH2 PHE 162.A O no hydrogen 3.367 N/A ARG 242.A NH2 GLU 164.A O no hydrogen 3.089 N/A ARG 242.A NH2 GLU 169.A OE1 no hydrogen 2.849 N/A ARG 242.A NH2 GLU 169.A OE2 no hydrogen 2.896 N/A ASN 243.A ND2 ILE 80.A O no hydrogen 2.896 N/A ARG 246.A NE ASN 243.A OD1 no hydrogen 3.314 N/A ARG 246.A NH2 ASN 243.A OD1 no hydrogen 2.715 N/A ASN 247.A N ASN 243.A O no hydrogen 3.085 N/A TRP 248.A N MET 244.A O no hydrogen 3.035 N/A TRP 248.A N GLU 245.A O no hydrogen 3.238 N/A TRP 248.A NE1 ASN 141.A O no hydrogen 2.955 N/A LYS 249.A N GLU 245.A O no hydrogen 3.131 N/A TRP 250.A N ARG 246.A O no hydrogen 2.842 N/A ALA 251.A N ASN 247.A O no hydrogen 3.266 N/A CYS 252.A N TRP 248.A O no hydrogen 3.107 N/A CYS 252.A N LYS 249.A O no hydrogen 2.882 N/A CYS 252.A SG TRP 248.A O no hydrogen 3.318 N/A LYS 253.A N TRP 250.A O no hydrogen 3.306 N/A SER 254.A N CYS 252.A O no hydrogen 2.807 N/A SER 254.A OG ALA 251.A O no hydrogen 2.886 N/A LEU 255.A N CYS 252.A O no hydrogen 3.301 N/A ARG 257.A N LEU 255.A O no hydrogen 2.730 N/A ARG 257.A NE SER 254.A O no hydrogen 3.595 N/A ILE 259.A N TRP 285.A O no hydrogen 3.139 N/A ALA 263.A N HIS 288.A O no hydrogen 3.065 N/A LEU 264.A N VAL 130.A O no hydrogen 2.914 N/A MET 265.A N LYS 290.A O no hydrogen 3.258 N/A VAL 266.A N SER 132.A O no hydrogen 2.861 N/A THR 267.A N GLY 292.A O no hydrogen 2.951 N/A THR 267.A OG1 GLY 292.A O no hydrogen 2.933 N/A THR 267.A OG1 HIS 293.A ND1 no hydrogen 2.856 N/A GLU 269.A N ILE 294.A O no hydrogen 3.323 N/A LYS 270.A N CYS 297.A O no hydrogen 2.941 N/A ASP 271.A N ALA 268.A O no hydrogen 3.009 N/A VAL 273.A N ASP 271.A OD1 no hydrogen 2.986 N/A LEU 274.A N ASP 271.A OD1 no hydrogen 2.975 N/A MET 278.A N VAL 275.A O no hydrogen 2.995 N/A SER 279.A OG PRO 276.A O no hydrogen 3.109 N/A GLN 280.A N GLN 277.A O no hydrogen 3.310 N/A MET 282.A N SER 279.A O no hydrogen 3.015 N/A ASP 284.A N HIS 281.A O no hydrogen 3.210 N/A ILE 286.A N MET 282.A O no hydrogen 3.149 N/A LYS 290.A N ALA 263.A O no hydrogen 2.897 N/A LYS 290.A NZ ASP 320.A OD1 no hydrogen 3.188 N/A LYS 290.A NZ ASP 320.A OD2 no hydrogen 3.307 N/A ARG 291.A NH1 SER 279.A OG no hydrogen 2.886 N/A ARG 291.A NH2 SER 279.A O no hydrogen 2.588 N/A GLY 292.A N MET 265.A O no hydrogen 2.952 N/A HIS 293.A ND1 THR 267.A O no hydrogen 2.795 N/A ILE 294.A N THR 267.A O no hydrogen 2.933 N/A CYS 297.A SG GLY 298.A O no hydrogen 3.701 N/A CYS 297.A SG THR 301.A O no hydrogen 3.823 N/A GLY 298.A N ASP 304.A OD2 no hydrogen 3.042 N/A HIS 299.A ND1 ASP 271.A OD2 no hydrogen 2.929 N/A THR 301.A OG1 ASN 134.A OD1 no hydrogen 2.703 N/A THR 301.A OG1 HIS 299.A O no hydrogen 3.169 N/A GLN 302.A NE2 GLU 44.A OE2 no hydrogen 3.541 N/A GLN 302.A NE2 SER 48.A O no hydrogen 2.873 N/A MET 303.A N TRP 300.A O no hydrogen 2.880 N/A ASP 304.A N TRP 300.A O no hydrogen 3.123 N/A LYS 305.A N THR 301.A O no hydrogen 3.252 N/A LYS 305.A NZ ASP 296.A O no hydrogen 3.069 N/A LYS 305.A NZ ASP 296.A OD2 no hydrogen 3.044 N/A LYS 305.A NZ ASP 304.A OD1 no hydrogen 3.113 N/A GLU 308.A N LYS 305.A O no hydrogen 2.942 N/A VAL 309.A N LYS 305.A O no hydrogen 3.128 N/A ASN 310.A N PRO 306.A O no hydrogen 3.216 N/A GLN 311.A N GLU 308.A O no hydrogen 2.849 N/A ILE 312.A N GLU 308.A O no hydrogen 3.008 N/A LEU 313.A N VAL 309.A O no hydrogen 2.843 N/A ILE 314.A N ASN 310.A O no hydrogen 3.295 N/A LYS 315.A N GLN 311.A O no hydrogen 3.241 N/A TRP 316.A N ILE 312.A O no hydrogen 3.037 N/A LEU 317.A N LEU 313.A O no hydrogen 2.923 N/A ASP 318.A N ILE 314.A O no hydrogen 3.133 N/A SER 319.A N TRP 316.A O no hydrogen 3.381 N/A SER 319.A OG TRP 316.A O no hydrogen 3.453 N/A SER 319.A OG ASP 320.A OD2 no hydrogen 2.873 N/A ASP 320.A N TRP 316.A O no hydrogen 2.985 N/A ARG 322.A N LEU 317.A O no hydrogen 2.735 N/A ARG 322.A NH1 GLY 60.A O no hydrogen 2.611 N/A ARG 322.A NH2 GLY 60.A O no hydrogen 3.338 N/A