Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p0e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N CYS 108.A O no hydrogen 3.173 N/A TYR 8.A N ASN 6.A OD1 no hydrogen 3.010 N/A LEU 9.A N ASN 6.A O no hydrogen 3.418 N/A LEU 11.A N TYR 8.A O no hydrogen 3.006 N/A MET 12.A N LEU 9.A O no hydrogen 3.201 N/A ASP 15.A N THR 24.A OG1 no hydrogen 2.754 N/A LEU 17.A N LEU 22.A O no hydrogen 2.788 N/A HIS 19.A N GLU 98.A OE1 no hydrogen 2.847 N/A HIS 19.A ND1 GLU 98.A OE2 no hydrogen 2.637 N/A LEU 20.A N LEU 17.A O no hydrogen 3.094 N/A THR 24.A N ASP 15.A O no hydrogen 3.030 N/A THR 24.A OG1 ASP 15.A O no hydrogen 3.462 N/A THR 26.A OG1 GLY 23.A O no hydrogen 3.559 N/A THR 26.A OG1 HIS 27.A ND1 no hydrogen 2.944 N/A HIS 27.A N GLY 23.A O no hydrogen 3.077 N/A HIS 27.A ND1 THR 26.A OG1 no hydrogen 2.944 N/A ALA 31.A N ASN 28.A OD1 no hydrogen 3.068 N/A MET 32.A N ASN 28.A O no hydrogen 2.938 N/A PHE 33.A N LEU 29.A O no hydrogen 2.901 N/A GLY 34.A N PRO 30.A O no hydrogen 2.717 N/A VAL 36.A N PHE 33.A O no hydrogen 3.083 N/A LYS 37.A N PRO 79.A O no hydrogen 2.796 N/A LYS 37.A NZ CYS 109.A O no hydrogen 2.976 N/A PHE 38.A N PRO 79.A O no hydrogen 2.860 N/A VAL 39.A N THR 112.A O no hydrogen 2.874 N/A CYS 40.A N LEU 81.A O no hydrogen 2.781 N/A VAL 41.A N ILE 114.A O no hydrogen 2.909 N/A GLY 42.A N ILE 83.A O no hydrogen 3.201 N/A ARG 47.A N SER 44.A OG no hydrogen 3.171 N/A MET 48.A N SER 44.A O no hydrogen 2.984 N/A LYS 49.A N PRO 45.A O no hydrogen 2.857 N/A ALA 50.A N ASN 46.A O no hydrogen 2.903 N/A PHE 51.A N ARG 47.A O no hydrogen 2.654 N/A ALA 52.A N MET 48.A O no hydrogen 2.981 N/A LEU 53.A N LYS 49.A O no hydrogen 3.005 N/A PHE 54.A N ALA 50.A O no hydrogen 2.888 N/A MET 55.A N PHE 51.A O no hydrogen 2.884 N/A HIS 56.A N ALA 52.A O no hydrogen 2.887 N/A LYS 57.A N LEU 53.A O no hydrogen 3.121 N/A GLU 58.A N PHE 54.A O no hydrogen 2.894 N/A LEU 59.A N MET 55.A O no hydrogen 2.911 N/A GLY 60.A N LYS 57.A O no hydrogen 2.945 N/A PHE 61.A N HIS 56.A O no hydrogen 3.313 N/A ILE 65.A N MET 74.A O no hydrogen 2.806 N/A CYS 66.A N ASP 64.A OD1 no hydrogen 2.917 N/A CYS 66.A SG LEU 20.A O no hydrogen 3.275 N/A ALA 67.A N ASP 64.A O no hydrogen 3.323 N/A THR 69.A N CYS 66.A O no hydrogen 2.883 N/A ARG 71.A N THR 69.A OG1 no hydrogen 3.185 N/A TYR 72.A OH SER 91.A O no hydrogen 2.567 N/A CYS 73.A N SER 84.A OG no hydrogen 2.869 N/A CYS 73.A SG ASP 64.A OD2 no hydrogen 3.666 N/A MET 74.A N ASP 64.A OD1 no hydrogen 2.979 N/A TYR 75.A N ALA 82.A O no hydrogen 2.783 N/A LYS 76.A NZ ASP 35.A OD1 no hydrogen 2.946 N/A LYS 76.A NZ ASP 35.A OD2 no hydrogen 3.216 N/A LYS 76.A NZ GLY 78.A O no hydrogen 2.606 N/A THR 77.A N VAL 80.A O no hydrogen 2.962 N/A THR 77.A OG1 THR 77.A O no hydrogen 2.646 N/A VAL 80.A N THR 77.A O no hydrogen 3.110 N/A LEU 81.A N PHE 38.A O no hydrogen 2.788 N/A ALA 82.A N TYR 75.A O no hydrogen 2.784 N/A ILE 83.A N CYS 40.A O no hydrogen 2.958 N/A SER 84.A N CYS 73.A O no hydrogen 3.027 N/A HIS 85.A ND1 GLY 86.A O no hydrogen 2.849 N/A GLY 86.A N GLY 43.A O no hydrogen 3.266 N/A GLY 88.A N GLU 227.A OE2 no hydrogen 2.834 N/A SER 91.A OG HIS 85.A O no hydrogen 2.619 N/A ILE 92.A N GLY 88.A O no hydrogen 3.130 N/A SER 93.A N ILE 89.A O no hydrogen 2.913 N/A SER 93.A OG PRO 90.A O no hydrogen 2.908 N/A ILE 94.A N PRO 90.A O no hydrogen 3.023 N/A MET 95.A N SER 91.A O no hydrogen 3.312 N/A LEU 96.A N ILE 92.A O no hydrogen 2.773 N/A HIS 97.A N SER 93.A O no hydrogen 2.982 N/A GLU 98.A N ILE 94.A O no hydrogen 3.267 N/A LEU 99.A N MET 95.A O no hydrogen 2.743 N/A ILE 100.A N LEU 96.A O no hydrogen 2.781 N/A LYS 101.A N HIS 97.A O no hydrogen 3.218 N/A LYS 101.A NZ ASP 15.A OD1 no hydrogen 2.866 N/A LYS 101.A NZ ASP 15.A OD2 no hydrogen 3.029 N/A LEU 102.A N GLU 98.A O no hydrogen 2.926 N/A LEU 103.A N LEU 99.A O no hydrogen 2.876 N/A HIS 104.A N ILE 100.A O no hydrogen 2.963 N/A HIS 104.A ND1 VAL 2.A O no hydrogen 2.985 N/A HIS 104.A NE2 ASP 10.A OD1 no hydrogen 3.264 N/A HIS 104.A NE2 ASP 10.A OD2 no hydrogen 2.848 N/A HIS 105.A N LYS 101.A O no hydrogen 2.780 N/A HIS 105.A NE2 ASP 15.A OD2 no hydrogen 2.866 N/A ALA 106.A N LEU 102.A O no hydrogen 2.809 N/A ARG 107.A N HIS 104.A O no hydrogen 3.042 N/A CYS 108.A N LEU 103.A O no hydrogen 3.012 N/A CYS 108.A SG PHE 33.A O no hydrogen 3.002 N/A CYS 108.A SG LEU 103.A O no hydrogen 3.821 N/A CYS 109.A SG ASP 110.A OD2 no hydrogen 3.849 N/A THR 112.A N LYS 37.A O no hydrogen 2.880 N/A ILE 113.A N LYS 241.A O no hydrogen 3.031 N/A ILE 114.A N VAL 39.A O no hydrogen 2.795 N/A ARG 115.A N ALA 243.A O no hydrogen 2.780 N/A ARG 115.A NE GLU 225.A OE1 no hydrogen 3.059 N/A ARG 115.A NH2 GLU 225.A OE1 no hydrogen 3.023 N/A ILE 116.A N VAL 41.A O no hydrogen 2.762 N/A GLY 117.A N VAL 245.A O no hydrogen 3.317 N/A SER 119.A OG VAL 247.A O no hydrogen 3.109 N/A GLY 120.A N ILE 224.A O no hydrogen 3.097 N/A GLY 121.A N LEU 250.A O no hydrogen 2.714 N/A ILE 122.A N ARG 222.A O no hydrogen 2.946 N/A GLY 123.A N ASP 251.A OD1 no hydrogen 2.873 N/A GLY 127.A N THR 248.A O no hydrogen 2.617 N/A THR 128.A N ALA 125.A O no hydrogen 3.097 N/A THR 128.A OG1 ALA 125.A O no hydrogen 2.584 N/A VAL 129.A N PRO 178.A O no hydrogen 2.774 N/A VAL 130.A N CYS 246.A O no hydrogen 2.772 N/A ILE 131.A N LEU 180.A O no hydrogen 2.882 N/A THR 132.A N VAL 244.A O no hydrogen 3.014 N/A THR 132.A OG1 THR 184.A OG1 no hydrogen 2.560 N/A ASP 133.A N GLY 182.A O no hydrogen 3.234 N/A ILE 134.A N ASP 133.A OD1 no hydrogen 2.546 N/A ALA 135.A N THR 157.A O no hydrogen 3.216 N/A VAL 136.A N THR 184.A O no hydrogen 2.752 N/A ASP 137.A N LYS 141.A O no hydrogen 2.844 N/A PHE 139.A N ASP 137.A OD1 no hydrogen 3.141 N/A PHE 140.A N ASP 137.A O no hydrogen 2.708 N/A LYS 141.A N ASP 137.A OD1 no hydrogen 2.796 N/A ARG 143.A NE ASP 137.A OD2 no hydrogen 2.600 N/A ARG 143.A NH2 ASP 137.A OD2 no hydrogen 2.824 N/A PHE 144.A N ARG 155.A O no hydrogen 2.902 N/A GLN 146.A N VAL 153.A O no hydrogen 2.833 N/A ILE 148.A N ASN 151.A O no hydrogen 2.734 N/A VAL 153.A N GLN 146.A O no hydrogen 2.743 N/A ARG 155.A N PHE 144.A O no hydrogen 2.814 N/A ARG 155.A NE GLN 146.A OE1 no hydrogen 3.046 N/A THR 157.A OG1 ALA 135.A O no hydrogen 2.667 N/A LEU 159.A N ASP 133.A O no hydrogen 3.042 N/A ASP 160.A N ALA 242.A O no hydrogen 3.006 N/A LEU 163.A N ASP 160.A OD2 no hydrogen 2.816 N/A SER 164.A N ASP 160.A O no hydrogen 3.004 N/A SER 164.A OG LYS 161.A O no hydrogen 3.030 N/A GLU 165.A N LYS 161.A O no hydrogen 3.055 N/A GLU 166.A N GLU 162.A O no hydrogen 2.979 N/A LEU 167.A N LEU 163.A O no hydrogen 2.986 N/A PHE 168.A N SER 164.A O no hydrogen 2.922 N/A ASN 169.A N GLU 165.A O no hydrogen 2.919 N/A CYS 170.A N GLU 166.A O no hydrogen 2.983 N/A CYS 170.A SG GLU 166.A O no hydrogen 3.305 N/A SER 171.A N LEU 167.A O no hydrogen 2.908 N/A SER 171.A OG PHE 168.A O no hydrogen 2.374 N/A LYS 172.A N PHE 168.A O no hydrogen 3.289 N/A LYS 172.A NZ ASN 169.A OD1 no hydrogen 2.705 N/A GLU 173.A N CYS 170.A O no hydrogen 3.259 N/A ILE 174.A N SER 171.A O no hydrogen 2.968 N/A THR 179.A OG1 PHE 177.A O no hydrogen 3.038 N/A LEU 180.A N VAL 129.A O no hydrogen 2.836 N/A GLY 182.A N ILE 131.A O no hydrogen 3.202 N/A HIS 183.A ND1 ASP 133.A OD1 no hydrogen 2.600 N/A THR 184.A N ILE 134.A O no hydrogen 3.377 N/A THR 184.A OG1 THR 132.A OG1 no hydrogen 2.560 N/A THR 184.A OG1 ASN 223.A OD1 no hydrogen 2.639 N/A MET 185.A N ASN 223.A O no hydrogen 2.932 N/A CYS 186.A N VAL 136.A O no hydrogen 2.839 N/A CYS 186.A SG THR 229.A OG1 no hydrogen 3.526 N/A THR 187.A N GLU 225.A O no hydrogen 3.063 N/A THR 187.A OG1 ASP 189.A O no hydrogen 2.825 N/A TYR 191.A N ASP 189.A OD1 no hydrogen 3.170 N/A GLY 193.A N ASP 189.A OD2 no hydrogen 3.104 N/A GLN 194.A N TYR 191.A O no hydrogen 3.008 N/A GLN 194.A NE2 THR 187.A OG1 no hydrogen 3.103 N/A GLY 195.A N GLU 192.A O no hydrogen 3.195 N/A ARG 196.A N TYR 191.A O no hydrogen 2.917 N/A ARG 196.A NH1.A PHE 190.A O no hydrogen 3.096 N/A ARG 196.A NH1.A GLN 194.A OE1 no hydrogen 2.851 N/A ARG 196.A NH1.B ASP 198.A OD1 no hydrogen 2.976 N/A LEU 197.A N ASP 256.A OD2 no hydrogen 3.284 N/A CYS 202.A SG ARG 196.A O no hydrogen 3.960 N/A CYS 202.A SG PHE 204.A O no hydrogen 3.686 N/A SER 203.A N GLU 192.A OE2 no hydrogen 3.011 N/A SER 203.A OG GLU 192.A OE2 no hydrogen 2.584 N/A GLU 207.A N GLU 207.A OE1 no hydrogen 2.987 N/A LYS 208.A N SER 205.A OG no hydrogen 3.202 N/A LYS 209.A N SER 205.A O no hydrogen 3.087 N/A LEU 210.A N ARG 206.A O no hydrogen 3.034 N/A ASP 211.A N GLU 207.A O no hydrogen 2.898 N/A TYR 212.A N LYS 208.A O no hydrogen 2.866 N/A TYR 212.A OH SER 138.A O no hydrogen 2.834 N/A LEU 213.A N LYS 209.A O no hydrogen 3.060 N/A LYS 214.A N LEU 210.A O no hydrogen 3.105 N/A ARG 215.A N ASP 211.A O no hydrogen 2.960 N/A ARG 215.A NE ASP 211.A OD2 no hydrogen 2.879 N/A ALA 216.A N TYR 212.A O no hydrogen 2.966 N/A PHE 217.A N LEU 213.A O no hydrogen 3.053 N/A LYS 218.A N LYS 214.A O no hydrogen 2.926 N/A ALA 219.A N ARG 215.A O no hydrogen 3.029 N/A GLY 220.A N PHE 217.A O no hydrogen 2.878 N/A VAL 221.A N ALA 216.A O no hydrogen 2.954 N/A ARG 222.A N HIS 183.A O no hydrogen 2.925 N/A ARG 222.A NH1 PHE 217.A O no hydrogen 2.917 N/A ARG 222.A NH1 VAL 221.A O no hydrogen 2.957 N/A ASN 223.A ND2 SER 119.A OG no hydrogen 2.940 N/A ILE 224.A N GLY 120.A O no hydrogen 2.935 N/A GLU 225.A N MET 185.A O no hydrogen 3.004 N/A GLU 227.A N GLU 225.A OE1 no hydrogen 3.015 N/A SER 228.A N GLU 225.A OE2 no hydrogen 2.865 N/A SER 228.A OG GLU 225.A OE2 no hydrogen 2.628 N/A PHE 231.A N GLU 227.A O no hydrogen 3.187 N/A ALA 232.A N SER 228.A O no hydrogen 2.867 N/A ALA 233.A N THR 229.A O no hydrogen 2.906 N/A MET 234.A N VAL 230.A O no hydrogen 2.833 N/A CYS 235.A N PHE 231.A O no hydrogen 3.165 N/A CYS 235.A SG PHE 231.A O no hydrogen 3.221 N/A GLY 236.A N ALA 232.A O no hydrogen 3.051 N/A LEU 237.A N ALA 233.A O no hydrogen 2.989 N/A CYS 238.A N MET 234.A O no hydrogen 3.197 N/A CYS 238.A N CYS 235.A O no hydrogen 3.270 N/A CYS 238.A SG MET 234.A O no hydrogen 3.812 N/A GLY 239.A N GLY 236.A O no hydrogen 3.037 N/A LEU 240.A N CYS 235.A O no hydrogen 2.854 N/A ALA 243.A N ILE 113.A O no hydrogen 3.026 N/A VAL 245.A N ARG 115.A O no hydrogen 2.743 N/A CYS 246.A N VAL 130.A O no hydrogen 2.916 N/A VAL 247.A N GLY 117.A O no hydrogen 3.115 N/A THR 248.A N THR 128.A O no hydrogen 2.952 N/A THR 248.A OG1 THR 128.A O no hydrogen 3.375 N/A LEU 249.A N SER 119.A O no hydrogen 3.003 N/A ARG 252.A N GLY 121.A O no hydrogen 2.701 N/A ARG 252.A NE ASP 256.A OD1 no hydrogen 3.309 N/A ARG 252.A NH1 GLN 194.A O no hydrogen 3.047 N/A ARG 252.A NH2 GLN 194.A O no hydrogen 3.170 N/A ARG 252.A NH2 ASP 256.A OD1 no hydrogen 2.849 N/A LEU 253.A N ASP 251.A OD1 no hydrogen 3.244 N/A ASP 254.A N ASP 251.A O no hydrogen 3.154 N/A CYS 255.A SG GLN 257.A O no hydrogen 3.202 N/A VAL 264.A N PRO 261.A O no hydrogen 2.753 N/A LEU 265.A N PRO 261.A O no hydrogen 3.083 N/A VAL 266.A N HIS 262.A O no hydrogen 3.037 N/A GLU 267.A N ASP 263.A O no hydrogen 3.297 N/A TYR 268.A N VAL 264.A O no hydrogen 3.024 N/A GLN 269.A N LEU 265.A O no hydrogen 2.922 N/A GLN 270.A N VAL 266.A O no hydrogen 3.109 N/A GLN 270.A N GLU 267.A O no hydrogen 3.192 N/A ARG 271.A N TYR 268.A O no hydrogen 2.867 N/A ARG 271.A NH1 GLY 127.A O no hydrogen 2.866 N/A ARG 271.A NH2 GLU 267.A OE2 no hydrogen 3.448 N/A LEU 274.A N GLN 270.A O no hydrogen 3.136 N/A LEU 275.A N ARG 271.A O no hydrogen 3.126 N/A ILE 276.A N PRO 272.A O no hydrogen 2.911 N/A SER 277.A N GLN 273.A O no hydrogen 2.947 N/A SER 277.A OG GLU 58.A OE1 no hydrogen 2.736 N/A ASN 278.A N LEU 274.A O no hydrogen 3.291 N/A PHE 279.A N LEU 275.A O no hydrogen 3.061 N/A ILE 280.A N ILE 276.A O no hydrogen 2.857 N/A ARG 281.A N SER 277.A O no hydrogen 2.958 N/A ARG 281.A NE SER 277.A O no hydrogen 3.253 N/A ARG 281.A NE SER 277.A OG no hydrogen 3.019 N/A ARG 282.A N ASN 278.A O no hydrogen 2.900 N/A ARG 283.A N PHE 279.A O no hydrogen 2.958 N/A ARG 283.A NE GLU 166.A OE1 no hydrogen 3.317 N/A ARG 283.A NE GLU 166.A OE2 no hydrogen 2.995 N/A ARG 283.A NH2 GLU 166.A OE1 no hydrogen 3.149 N/A LEU 284.A N ILE 280.A O no hydrogen 2.885 N/A GLY 285.A N ARG 281.A O no hydrogen 2.685 N/A