Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ler_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ PHE 154.A O no hydrogen 2.685 N/A LYS 2.A NZ GLU 158.A O no hydrogen 2.938 N/A LYS 2.A NZ ILE 160.A O no hydrogen 2.660 N/A GLY 7.A N LYS 199.A O no hydrogen 3.031 N/A ALA 8.A N ASP 38.A OD2 no hydrogen 2.810 N/A THR 9.A OG1 SER 206.A OG no hydrogen 2.648 N/A ALA 10.A N SER 203.A O no hydrogen 2.889 N/A LEU 11.A N VAL 41.A O no hydrogen 3.018 N/A ILE 12.A N ASN 207.A OD1 no hydrogen 3.139 N/A THR 13.A OG1 GLY 47.A O no hydrogen 2.772 N/A LYS 16.A N LYS 19.A O no hydrogen 2.757 N/A LYS 16.A NZ GLU 260.A OE1 no hydrogen 3.241 N/A GLY 18.A N GLU 263.A OE1 no hydrogen 2.594 N/A LYS 19.A N LYS 16.A O no hydrogen 3.095 N/A ASP 21.A N PRO 14.A O no hydrogen 2.882 N/A SER 24.A N ASP 21.A OD1 no hydrogen 3.081 N/A TYR 25.A N ASP 21.A O no hydrogen 2.905 N/A ALA 26.A N GLU 22.A O no hydrogen 3.107 N/A ARG 27.A N GLN 23.A O no hydrogen 3.065 N/A LEU 28.A N SER 24.A O no hydrogen 2.873 N/A ILE 29.A N TYR 25.A O no hydrogen 3.056 N/A LYS 30.A N ALA 26.A O no hydrogen 3.031 N/A ARG 31.A N ARG 27.A O no hydrogen 3.035 N/A ARG 31.A NE LYS 288.A O no hydrogen 3.136 N/A ARG 31.A NE GLY 289.A O no hydrogen 3.050 N/A ARG 31.A NH1 ASN 207.A O no hydrogen 2.835 N/A ARG 31.A NH2 LEU 208.A O no hydrogen 2.887 N/A ARG 31.A NH2 LYS 288.A O no hydrogen 2.846 N/A GLN 32.A N LEU 28.A O no hydrogen 3.125 N/A GLN 32.A NE2 SER 206.A O no hydrogen 3.312 N/A ILE 33.A N ILE 29.A O no hydrogen 2.946 N/A GLU 34.A N LYS 30.A O no hydrogen 2.927 N/A ASN 35.A N GLN 32.A O no hydrogen 3.047 N/A ASN 35.A ND2 ARG 31.A O no hydrogen 2.724 N/A GLY 36.A N ILE 33.A O no hydrogen 3.461 N/A ILE 37.A N GLN 32.A O no hydrogen 3.326 N/A ASP 38.A N ALA 8.A O no hydrogen 2.720 N/A ALA 39.A N ALA 8.A O no hydrogen 3.317 N/A VAL 40.A N LYS 74.A O no hydrogen 2.843 N/A VAL 41.A N THR 9.A O no hydrogen 2.793 N/A THR 45.A OG1 TYR 135.A OH no hydrogen 2.755 N/A GLY 47.A N GLY 44.A O no hydrogen 3.124 N/A GLU 48.A N THR 45.A O no hydrogen 2.983 N/A SER 49.A N GLY 44.A O no hydrogen 3.274 N/A SER 49.A OG GLY 44.A O no hydrogen 3.462 N/A THR 51.A N GLU 48.A O no hydrogen 3.127 N/A THR 51.A OG1 GLU 48.A O no hydrogen 3.403 N/A LEU 52.A N SER 49.A O no hydrogen 3.457 N/A THR 53.A N GLU 56.A OE1 no hydrogen 2.863 N/A GLU 56.A N THR 53.A OG1 no hydrogen 3.165 N/A HIS 57.A N THR 53.A O no hydrogen 2.946 N/A HIS 57.A NE2 SER 49.A O no hydrogen 3.223 N/A ARG 58.A N HIS 54.A O.A no hydrogen 3.100 N/A ARG 58.A N HIS 54.A O.B no hydrogen 3.079 N/A ARG 58.A NE GLU 62.A OE2 no hydrogen 2.969 N/A ARG 58.A NH1 GLU 62.A OE2 no hydrogen 3.504 N/A THR 59.A N GLU 55.A O no hydrogen 2.906 N/A THR 59.A OG1 GLU 55.A O no hydrogen 3.124 N/A CYS 60.A N GLU 56.A O no hydrogen 2.889 N/A CYS 60.A SG GLU 56.A O no hydrogen 3.394 N/A ILE 61.A N HIS 57.A O no hydrogen 3.016 N/A GLU 62.A N ARG 58.A O no hydrogen 2.794 N/A ILE 63.A N THR 59.A O no hydrogen 2.948 N/A ALA 64.A N CYS 60.A O no hydrogen 3.007 N/A VAL 65.A N ILE 61.A O no hydrogen 2.831 N/A GLU 66.A N GLU 62.A O no hydrogen 2.953 N/A THR 67.A N ILE 63.A O no hydrogen 2.913 N/A THR 67.A OG1 ILE 63.A O no hydrogen 2.708 N/A CYS 68.A N ALA 64.A O no hydrogen 3.030 N/A CYS 68.A SG ALA 64.A O no hydrogen 3.377 N/A LYS 69.A N GLU 66.A O no hydrogen 3.196 N/A THR 71.A N CYS 68.A O no hydrogen 3.180 N/A THR 71.A OG1 CYS 68.A O no hydrogen 2.797 N/A VAL 73.A N THR 71.A OG1 no hydrogen 2.960 N/A LYS 74.A N ASP 38.A O no hydrogen 3.012 N/A VAL 75.A N ASP 100.A OD2 no hydrogen 2.842 N/A LEU 76.A N VAL 40.A O no hydrogen 2.990 N/A ALA 77.A N GLY 101.A O no hydrogen 2.924 N/A GLY 78.A N PRO 42.A O no hydrogen 2.997 N/A ALA 79.A N LEU 103.A O no hydrogen 2.950 N/A SER 81.A OG ALA 83.A O no hydrogen 3.538 N/A SER 81.A OG GLU 86.A OE1 no hydrogen 2.649 N/A ASN 82.A ND2 TYR 108.A O no hydrogen 2.998 N/A ALA 83.A N SER 81.A OG no hydrogen 3.026 N/A ALA 87.A N ALA 83.A O no hydrogen 2.897 N/A VAL 88.A N THR 84.A O no hydrogen 2.984 N/A GLY 89.A N HIS 85.A O no hydrogen 3.200 N/A LEU 90.A N GLU 86.A O no hydrogen 2.831 N/A ALA 91.A N ALA 87.A O no hydrogen 2.923 N/A LYS 92.A N VAL 88.A O no hydrogen 3.016 N/A LYS 92.A NZ SER 127.A O no hydrogen 2.989 N/A PHE 93.A N GLY 89.A O no hydrogen 3.011 N/A ALA 94.A N LEU 90.A O no hydrogen 2.789 N/A LYS 95.A N ALA 91.A O no hydrogen 3.043 N/A GLU 96.A N LYS 92.A O no hydrogen 2.895 N/A HIS 97.A N PHE 93.A O no hydrogen 2.982 N/A HIS 97.A N ALA 94.A O no hydrogen 3.210 N/A GLY 98.A N LYS 95.A O no hydrogen 3.075 N/A ALA 99.A N ALA 94.A O no hydrogen 3.115 N/A ASP 100.A N VAL 75.A O no hydrogen 2.798 N/A GLY 101.A N VAL 75.A O no hydrogen 3.226 N/A ILE 102.A N PRO 131.A O no hydrogen 2.913 N/A LEU 103.A N ALA 77.A O no hydrogen 2.824 N/A SER 104.A N LEU 133.A O no hydrogen 2.985 N/A SER 104.A OG ALA 79.A O no hydrogen 3.123 N/A ALA 106.A N TYR 135.A O no hydrogen 2.967 N/A TYR 109.A N THR 141.A O no hydrogen 3.057 N/A ASN 110.A N TYR 108.A O no hydrogen 2.764 N/A ASN 110.A ND2 ASN 82.A O no hydrogen 2.913 N/A GLN 114.A NE2 GLU 144.A O no hydrogen 2.773 N/A GLN 115.A NE2 GLU 119.A OE2 no hydrogen 2.801 N/A GLY 116.A N THR 113.A OG1 no hydrogen 3.335 N/A LEU 117.A N THR 113.A O no hydrogen 2.882 N/A TYR 118.A N GLN 114.A O no hydrogen 2.915 N/A TYR 118.A OH ASP 156.A OD2 no hydrogen 2.517 N/A GLU 119.A N GLN 115.A O no hydrogen 3.023 N/A HIS 120.A N GLY 116.A O no hydrogen 2.782 N/A TYR 121.A N LEU 117.A O no hydrogen 3.029 N/A TYR 121.A OH SER 104.A O no hydrogen 2.780 N/A LYS 122.A N TYR 118.A O no hydrogen 2.844 N/A ALA 123.A N GLU 119.A O no hydrogen 3.134 N/A ILE 124.A N HIS 120.A O no hydrogen 3.109 N/A ALA 125.A N TYR 121.A O no hydrogen 2.802 N/A GLN 126.A N LYS 122.A O no hydrogen 2.939 N/A SER 127.A N ILE 124.A O no hydrogen 3.018 N/A SER 127.A OG ILE 124.A O no hydrogen 2.706 N/A VAL 132.A N ASN 159.A O no hydrogen 2.889 N/A LEU 133.A N ILE 102.A O no hydrogen 2.919 N/A LEU 134.A N GLY 162.A O no hydrogen 3.003 N/A TYR 135.A OH THR 45.A OG1 no hydrogen 2.755 N/A ASN 136.A ND2 GLU 144.A OE1 no hydrogen 3.087 N/A ASN 136.A ND2 GLU 144.A OE2 no hydrogen 3.237 N/A ASN 136.A ND2 GLU 164.A OE1 no hydrogen 2.848 N/A ASN 136.A ND2 GLU 164.A OE2 no hydrogen 3.384 N/A ARG 140.A N VAL 137.A O no hydrogen 2.969 N/A ARG 140.A NH2 ASN 246.A O no hydrogen 2.851 N/A THR 141.A N VAL 137.A O no hydrogen 2.975 N/A THR 141.A OG1 VAL 137.A O no hydrogen 3.405 N/A GLY 142.A N PRO 138.A O no hydrogen 2.950 N/A CYS 143.A N THR 141.A OG1 no hydrogen 3.105 N/A CYS 143.A SG PRO 107.A O no hydrogen 3.417 N/A ILE 145.A N ASN 136.A OD1 no hydrogen 2.933 N/A SER 146.A N GLN 114.A OE1 no hydrogen 2.967 N/A SER 146.A OG GLN 114.A OE1 no hydrogen 3.115 N/A SER 146.A OG THR 149.A OG1 no hydrogen 3.041 N/A THR 147.A OG1 ASP 174.A OD2 no hydrogen 3.181 N/A THR 149.A N SER 146.A OG no hydrogen 3.117 N/A THR 149.A OG1 GLN 114.A OE1 no hydrogen 2.603 N/A THR 149.A OG1 SER 146.A OG no hydrogen 3.041 N/A ILE 150.A N SER 146.A O no hydrogen 2.906 N/A ILE 151.A N THR 147.A O no hydrogen 2.848 N/A LYS 152.A N ASP 148.A O.A no hydrogen 2.848 N/A LYS 152.A N ASP 148.A O.B no hydrogen 2.880 N/A LEU 153.A N THR 149.A O no hydrogen 2.939 N/A PHE 154.A N ILE 150.A O no hydrogen 2.942 N/A ARG 155.A N ILE 151.A O no hydrogen 2.979 N/A ARG 155.A NE GLU 179.A OE2 no hydrogen 2.795 N/A ARG 155.A NH2 GLU 179.A OE2 no hydrogen 3.262 N/A ASP 156.A N LYS 152.A O no hydrogen 2.844 N/A CYS 157.A N LEU 153.A O no hydrogen 2.927 N/A ASN 159.A ND2 ALA 125.A O no hydrogen 2.953 N/A ASN 159.A ND2 VAL 128.A O no hydrogen 2.562 N/A ILE 160.A N CYS 157.A O no hydrogen 3.172 N/A TYR 161.A N VAL 132.A O no hydrogen 3.058 N/A TYR 161.A OH ILE 5.A O no hydrogen 2.738 N/A ALA 165.A N ASN 136.A O no hydrogen 2.889 N/A SER 166.A OG GLU 164.A OE1 no hydrogen 2.649 N/A GLY 167.A N GLU 186.A OE1 no hydrogen 2.648 N/A LYS 171.A N ASN 168.A OD1 no hydrogen 3.132 N/A LYS 171.A NZ GLU 144.A OE2 no hydrogen 2.865 N/A LYS 171.A NZ ILE 145.A O no hydrogen 2.643 N/A LYS 171.A NZ GLU 164.A OE2 no hydrogen 2.805 N/A CYS 172.A N ASN 168.A O no hydrogen 3.267 N/A CYS 172.A SG ASN 168.A O no hydrogen 3.735 N/A VAL 173.A N ILE 169.A O no hydrogen 2.941 N/A ASP 174.A N ASP 170.A O no hydrogen 2.869 N/A LEU 175.A N LYS 171.A O no hydrogen 2.922 N/A LEU 176.A N CYS 172.A O no hydrogen 3.204 N/A ALA 177.A N VAL 173.A O no hydrogen 2.801 N/A HIS 178.A N ASP 174.A O no hydrogen 3.141 N/A HIS 178.A ND1 ASP 174.A O no hydrogen 2.872 N/A GLU 179.A N LEU 175.A O no hydrogen 2.824 N/A ARG 181.A N GLU 179.A OE1 no hydrogen 3.060 N/A ARG 181.A NE GLU 179.A OE1 no hydrogen 2.846 N/A ARG 181.A NH2 GLU 179.A OE2 no hydrogen 2.809 N/A ILE 183.A N VAL 163.A O no hydrogen 2.921 N/A SER 184.A N GLY 200.A O no hydrogen 2.962 N/A SER 184.A OG ASN 190.A OD1 no hydrogen 2.837 N/A GLY 185.A N GLU 164.A O no hydrogen 2.821 N/A GLU 186.A N SER 184.A OG no hydrogen 3.198 N/A ILE 189.A N GLU 186.A O no hydrogen 3.010 N/A ASN 190.A N ASP 187.A O no hydrogen 3.055 N/A ASN 190.A ND2 ASP 187.A OD1 no hydrogen 2.956 N/A TYR 191.A N ASN 231.A OD1 no hydrogen 3.212 N/A ILE 193.A N ILE 189.A O no hydrogen 3.131 N/A LEU 194.A N ASN 190.A O no hydrogen 2.973 N/A SER 195.A N TYR 191.A O no hydrogen 2.722 N/A SER 195.A OG TYR 191.A O no hydrogen 3.213 N/A SER 195.A OG PRO 192.A O no hydrogen 3.129 N/A ASN 196.A N PRO 192.A O no hydrogen 3.149 N/A ASN 196.A N ILE 193.A O no hydrogen 3.139 N/A GLY 197.A N LEU 194.A O no hydrogen 2.886 N/A GLY 198.A N ILE 193.A O no hydrogen 2.995 N/A LYS 199.A N LEU 182.A O no hydrogen 2.887 N/A VAL 201.A N GLY 7.A O no hydrogen 3.033 N/A ILE 202.A N SER 184.A O no hydrogen 2.902 N/A SER 203.A OG ASP 187.A OD1 no hydrogen 2.601 N/A SER 203.A OG ASP 187.A OD2 no hydrogen 3.315 N/A SER 203.A OG SER 206.A OG no hydrogen 3.306 N/A VAL 204.A N ASP 187.A OD2 no hydrogen 2.805 N/A THR 205.A N ASP 187.A OD2 no hydrogen 2.908 N/A THR 205.A OG1 ASN 238.A OD1 no hydrogen 2.699 N/A SER 206.A N SER 203.A OG no hydrogen 2.865 N/A SER 206.A OG THR 9.A OG1 no hydrogen 2.648 N/A SER 206.A OG SER 203.A O no hydrogen 3.339 N/A ASN 207.A N VAL 204.A O no hydrogen 2.940 N/A ASN 207.A ND2 ALA 10.A O no hydrogen 2.818 N/A ASN 207.A ND2 VAL 204.A O no hydrogen 2.980 N/A LEU 208.A N THR 205.A O no hydrogen 2.826 N/A LEU 209.A N THR 205.A O no hydrogen 2.965 N/A SER 213.A N PRO 210.A O no hydrogen 2.869 N/A SER 213.A OG GLY 36.A O no hydrogen 2.673 N/A ALA 214.A N ASP 211.A O no hydrogen 3.006 N/A THR 216.A N ILE 212.A O no hydrogen 3.026 N/A THR 216.A OG1 ILE 212.A O no hydrogen 2.847 N/A HIS 217.A N SER 213.A O no hydrogen 2.928 N/A HIS 217.A NE2 ASP 38.A OD2 no hydrogen 2.724 N/A PHE 218.A N ALA 214.A O no hydrogen 2.882 N/A ALA 219.A N LEU 215.A O no hydrogen 3.031 N/A LEU 220.A N THR 216.A O no hydrogen 2.882 N/A ASP 221.A N HIS 217.A O no hydrogen 3.150 N/A GLU 222.A N ALA 219.A O no hydrogen 2.843 N/A ASN 223.A N PHE 218.A O no hydrogen 2.793 N/A ASN 223.A ND2 GLU 226.A OE1.B no hydrogen 2.820 N/A ALA 227.A N ASN 223.A O no hydrogen 3.072 N/A LYS 228.A N TYR 224.A O no hydrogen 2.822 N/A LYS 228.A NZ ASP 232.A OD2 no hydrogen 2.765 N/A LYS 229.A N LYS 225.A O no hydrogen 2.993 N/A ILE 230.A N GLU 226.A O.A no hydrogen 3.307 N/A ILE 230.A N GLU 226.A O.B no hydrogen 3.431 N/A ASN 231.A N ALA 227.A O no hydrogen 3.019 N/A ASN 231.A ND2 ALA 188.A O no hydrogen 3.247 N/A ASP 232.A N LYS 228.A O no hydrogen 2.776 N/A GLU 233.A N LYS 229.A O no hydrogen 2.959 N/A LEU 234.A N ILE 230.A O no hydrogen 2.805 N/A TYR 235.A N ASP 232.A O no hydrogen 3.099 N/A ILE 237.A N TYR 285.A OH no hydrogen 3.085 N/A ASN 238.A N LEU 234.A O no hydrogen 2.772 N/A LYS 239.A N TYR 235.A O no hydrogen 2.889 N/A ILE 240.A N ASN 236.A O no hydrogen 3.030 N/A LEU 241.A N ILE 237.A O no hydrogen 3.062 N/A PHE 242.A N LYS 239.A O no hydrogen 2.962 N/A CYS 243.A N ILE 240.A O no hydrogen 3.058 N/A CYS 243.A SG ILE 240.A O no hydrogen 3.276 N/A ASN 246.A ND2 THR 46.A OG1 no hydrogen 2.903 N/A ILE 248.A N SER 245.A O no hydrogen 2.874 N/A LYS 251.A N PRO 247.A O no hydrogen 3.070 N/A LYS 251.A NZ THR 13.A O no hydrogen 2.709 N/A LYS 251.A NZ GLU 48.A OE2 no hydrogen 2.630 N/A LYS 251.A NZ GLU 263.A O no hydrogen 2.871 N/A THR 252.A N ILE 248.A O no hydrogen 3.188 N/A THR 252.A OG1 ILE 248.A O no hydrogen 2.744 N/A ALA 253.A N PRO 249.A O no hydrogen 2.829 N/A LEU 255.A N THR 252.A O no hydrogen 2.901 N/A ALA 256.A N ALA 253.A O no hydrogen 2.870 N/A GLY 257.A N TYR 254.A O no hydrogen 3.044 N/A SER 261.A OG GLU 263.A OE2 no hydrogen 3.358 N/A ARG 265.A N GLU 48.A OE1 no hydrogen 3.251 N/A ARG 265.A NH1 THR 51.A O no hydrogen 2.824 N/A ARG 265.A NH1 GLU 56.A OE1 no hydrogen 2.598 N/A ARG 265.A NH1 GLU 56.A OE2 no hydrogen 3.526 N/A ARG 265.A NH2 GLY 18.A O no hydrogen 2.865 N/A ARG 265.A NH2 GLU 56.A OE1 no hydrogen 3.437 N/A ARG 265.A NH2 GLU 56.A OE2 no hydrogen 2.742 N/A LEU 268.A N ARG 265.A O no hydrogen 3.005 N/A CYS 269.A SG SER 270.A O no hydrogen 3.691 N/A SER 272.A N GLU 244.A OE1 no hydrogen 2.897 N/A SER 272.A OG GLU 244.A OE1 no hydrogen 3.567 N/A ASN 275.A N SER 272.A OG no hydrogen 3.049 N/A ASN 275.A ND2 GLU 244.A OE1 no hydrogen 2.868 N/A PHE 276.A N SER 272.A O no hydrogen 2.818 N/A ALA 277.A N LYS 273.A O no hydrogen 3.064 N/A LYS 278.A N GLU 274.A O no hydrogen 3.069 N/A ILE 279.A N ASN 275.A O no hydrogen 2.943 N/A GLU 280.A N PHE 276.A O no hydrogen 3.071 N/A GLU 281.A N ALA 277.A O no hydrogen 2.910 N/A VAL 282.A N LYS 278.A O no hydrogen 2.998 N/A LYS 283.A NZ GLU 281.A OE1 no hydrogen 3.095 N/A LYS 283.A NZ GLU 281.A OE2 no hydrogen 3.308 N/A LYS 284.A N VAL 282.A O no hydrogen 3.367 N/A TYR 285.A OH GLU 233.A O no hydrogen 2.653 N/A LYS 288.A NZ ASP 211.A OD2 no hydrogen 3.327 N/A