Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lye_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N PRO 79.A O no hydrogen 2.878 N/A SER 4.A OG GLU 1.A O no hydrogen 2.715 N/A LYS 8.A N SER 4.A O no hydrogen 2.973 N/A LYS 8.A NZ GLY 81.A O no hydrogen 2.959 N/A LEU 9.A N GLY 5.A O no hydrogen 2.846 N/A ARG 10.A N ALA 6.A O no hydrogen 2.935 N/A ARG 10.A NE ASP 147.A O no hydrogen 2.811 N/A ARG 10.A NH1 GLU 14.A OE1 no hydrogen 3.120 N/A ARG 10.A NH1 ASP 178.A OD2 no hydrogen 3.370 N/A ARG 10.A NH2 ASP 147.A O no hydrogen 3.111 N/A ARG 10.A NH2 PHE 148.A O no hydrogen 3.102 N/A ARG 10.A NH2 ASP 178.A OD1 no hydrogen 3.177 N/A ARG 10.A NH2 ASP 178.A OD2 no hydrogen 3.071 N/A HIS 11.A N LYS 7.A O no hydrogen 2.931 N/A LEU 12.A N LYS 8.A O no hydrogen 3.112 N/A LEU 13.A N LEU 9.A O no hydrogen 2.939 N/A GLU 14.A N ARG 10.A O no hydrogen 2.861 N/A ASN 15.A N HIS 11.A O no hydrogen 2.768 N/A ASN 15.A ND2 HIS 11.A ND1 no hydrogen 2.933 N/A THR 16.A OG1 LEU 12.A O no hydrogen 2.649 N/A GLU 18.A N THR 16.A OG1 no hydrogen 3.321 N/A ILE 20.A N ARG 227.A O no hydrogen 2.879 N/A CYS 22.A N MET 229.A O no hydrogen 2.899 N/A CYS 22.A SG ILE 20.A O no hydrogen 3.806 N/A CYS 22.A SG SER 41.A OG no hydrogen 3.382 N/A GLY 24.A N PHE 231.A O no hydrogen 2.916 N/A VAL 25.A N TYR 43.A O no hydrogen 2.728 N/A TYR 26.A N SER 30.A OG no hydrogen 2.960 N/A ASP 27.A N SER 30.A OG no hydrogen 3.094 N/A SER 30.A N ASP 27.A OD2 no hydrogen 2.825 N/A SER 30.A OG ASP 27.A O no hydrogen 3.189 N/A SER 30.A OG ASP 27.A OD2 no hydrogen 2.651 N/A ALA 31.A N ASP 27.A O no hydrogen 3.044 N/A ARG 32.A N GLY 28.A O no hydrogen 2.822 N/A THR 33.A N LEU 29.A O no hydrogen 2.941 N/A THR 33.A OG1 LEU 29.A O no hydrogen 2.859 N/A ALA 34.A N SER 30.A O no hydrogen 3.070 N/A MET 35.A N ALA 31.A O no hydrogen 2.967 N/A GLU 36.A N ARG 32.A O no hydrogen 2.882 N/A LEU 37.A N THR 33.A O no hydrogen 3.100 N/A GLY 38.A N MET 35.A O no hydrogen 2.999 N/A PHE 39.A N ALA 34.A O no hydrogen 3.285 N/A SER 41.A OG PRO 83.A O no hydrogen 3.099 N/A LEU 42.A N PRO 83.A O no hydrogen 2.901 N/A TYR 43.A N PRO 23.A O no hydrogen 2.987 N/A TYR 43.A OH HIS 114.A NE2 no hydrogen 2.628 N/A MET 44.A N ILE 85.A O no hydrogen 2.822 N/A THR 45.A N VAL 25.A O no hydrogen 3.134 N/A GLY 48.A N THR 45.A OG1 no hydrogen 2.941 N/A THR 49.A N THR 45.A O no hydrogen 3.089 N/A THR 49.A OG1 THR 45.A O no hydrogen 2.717 N/A THR 50.A N GLY 46.A O no hydrogen 2.930 N/A THR 50.A OG1 GLY 46.A O no hydrogen 2.846 N/A ALA 51.A N ALA 47.A O no hydrogen 2.905 N/A SER 52.A N GLY 48.A O no hydrogen 2.854 N/A ARG 53.A N THR 49.A O no hydrogen 2.827 N/A LEU 54.A N THR 50.A O no hydrogen 2.989 N/A GLN 56.A N THR 50.A O no hydrogen 3.331 N/A LEU 59.A N PRO 57.A O no hydrogen 2.860 N/A GLN 63.A N ASP 66.A OD2 no hydrogen 2.933 N/A MET 67.A N GLN 63.A O no hydrogen 3.101 N/A ARG 68.A N LEU 64.A O no hydrogen 2.824 N/A ARG 68.A NE SER 108.A OG no hydrogen 2.808 N/A ARG 68.A NH1 SER 108.A OG no hydrogen 3.183 N/A ASP 69.A N HIS 65.A O no hydrogen 2.924 N/A ASN 70.A N ASP 66.A O no hydrogen 3.110 N/A ASN 70.A ND2 TYR 26.A O no hydrogen 2.992 N/A ASN 70.A ND2 THR 49.A OG1 no hydrogen 2.970 N/A ALA 71.A N MET 67.A O no hydrogen 2.962 N/A ASP 72.A N ARG 68.A O no hydrogen 2.809 N/A MET 73.A N ASP 69.A O no hydrogen 3.108 N/A ILE 74.A N ASN 70.A O no hydrogen 2.953 N/A ALA 75.A N ALA 71.A O no hydrogen 2.889 N/A LEU 77.A N ILE 74.A O no hydrogen 3.457 N/A PHE 80.A N ASP 78.A OD2 no hydrogen 2.847 N/A GLY 81.A N ASP 78.A O no hydrogen 2.932 N/A ILE 85.A N LEU 42.A O no hydrogen 2.888 N/A ALA 86.A N GLY 112.A O no hydrogen 2.920 N/A ASP 87.A N MET 44.A O no hydrogen 3.171 N/A MET 88.A N HIS 114.A O no hydrogen 3.029 N/A ASP 89.A N ASP 87.A OD1 no hydrogen 2.740 N/A GLY 91.A N MET 88.A O no hydrogen 2.860 N/A TYR 92.A OH ASP 89.A OD2 no hydrogen 2.635 N/A VAL 98.A N GLY 94.A O no hydrogen 2.948 N/A ALA 99.A N PRO 95.A O no hydrogen 2.944 N/A ARG 100.A N ILE 96.A O no hydrogen 3.028 N/A THR 101.A N MET 97.A O no hydrogen 2.863 N/A THR 101.A OG1 GLY 91.A O no hydrogen 3.206 N/A THR 101.A OG1 MET 97.A O no hydrogen 2.879 N/A VAL 102.A N VAL 98.A O no hydrogen 3.016 N/A GLU 103.A N ALA 99.A O no hydrogen 2.864 N/A HIS 104.A N ARG 100.A O no hydrogen 2.878 N/A TYR 105.A N THR 101.A O no hydrogen 2.875 N/A TYR 105.A OH ASP 87.A O no hydrogen 2.770 N/A ILE 106.A N VAL 102.A O no hydrogen 2.852 N/A ARG 107.A N GLU 103.A O no hydrogen 2.925 N/A SER 108.A N HIS 104.A O no hydrogen 2.942 N/A SER 108.A OG ASP 72.A OD2 no hydrogen 3.060 N/A SER 108.A OG HIS 104.A O no hydrogen 3.117 N/A GLY 109.A N ILE 106.A O no hydrogen 3.071 N/A VAL 110.A N TYR 105.A O no hydrogen 2.966 N/A ALA 111.A N LEU 84.A O no hydrogen 2.863 N/A GLY 112.A N LEU 84.A O no hydrogen 3.352 N/A ALA 113.A N VAL 149.A O no hydrogen 3.013 N/A HIS 114.A N ALA 86.A O no hydrogen 3.350 N/A HIS 114.A NE2 TYR 43.A OH no hydrogen 2.628 N/A LEU 115.A N ILE 151.A O no hydrogen 2.919 N/A GLU 116.A N ASP 89.A O no hydrogen 2.972 N/A GLN 118.A NE2 ASP 155.A OD2 no hydrogen 3.367 N/A ILE 119.A N LYS 123.A O no hydrogen 3.316 N/A LYS 122.A NZ ASP 155.A OD1 no hydrogen 2.774 N/A VAL 125.A N ASP 117.A O no hydrogen 2.845 N/A SER 126.A N GLU 129.A OE2 no hydrogen 3.110 N/A SER 126.A OG GLU 129.A OE2 no hydrogen 3.130 N/A ARG 127.A NE GLU 164.A OE1 no hydrogen 3.407 N/A ARG 127.A NH2 GLU 164.A OE1 no hydrogen 3.499 N/A ARG 127.A NH2 GLU 164.A OE2 no hydrogen 3.077 N/A ARG 127.A NH2 GLU 167.A OE1 no hydrogen 2.736 N/A GLU 129.A N SER 126.A OG no hydrogen 3.088 N/A TYR 130.A N SER 126.A O no hydrogen 2.950 N/A LEU 131.A N ARG 127.A O no hydrogen 2.963 N/A VAL 132.A N ASP 128.A O no hydrogen 3.089 N/A ARG 133.A NH1 GLN 118.A O no hydrogen 3.153 N/A ARG 133.A NH2 GLU 116.A O no hydrogen 2.811 N/A ARG 133.A NH2 GLN 118.A O no hydrogen 2.737 N/A ILE 134.A N TYR 130.A O no hydrogen 3.061 N/A ARG 135.A N LEU 131.A O no hydrogen 2.788 N/A ARG 135.A NE GLU 175.A OE1 no hydrogen 3.106 N/A ARG 135.A NH2 GLU 175.A OE2 no hydrogen 2.996 N/A ALA 136.A N VAL 132.A O no hydrogen 3.029 N/A ALA 137.A N ARG 133.A O no hydrogen 3.070 N/A VAL 138.A N ILE 134.A O no hydrogen 2.910 N/A ALA 139.A N ARG 135.A O no hydrogen 2.951 N/A THR 140.A N ALA 136.A O no hydrogen 3.142 N/A THR 140.A OG1 ALA 136.A O no hydrogen 2.898 N/A LYS 141.A N ALA 137.A O no hydrogen 3.087 N/A LYS 141.A NZ ASP 178.A OD1 no hydrogen 2.850 N/A LYS 141.A NZ ASP 178.A OD2 no hydrogen 3.437 N/A ARG 142.A N VAL 138.A O no hydrogen 3.004 N/A ARG 143.A N ALA 139.A O no hydrogen 2.904 N/A LEU 144.A N THR 140.A O no hydrogen 3.010 N/A ARG 145.A N ARG 142.A O no hydrogen 2.983 N/A SER 146.A N LYS 141.A O no hydrogen 3.095 N/A PHE 148.A N SER 146.A OG no hydrogen 2.969 N/A VAL 149.A N ALA 111.A O no hydrogen 2.938 N/A LEU 150.A N ASP 178.A OD1 no hydrogen 2.901 N/A ILE 151.A N ALA 113.A O no hydrogen 2.857 N/A ALA 152.A N VAL 179.A O no hydrogen 2.814 N/A ARG 153.A N LEU 115.A O no hydrogen 2.878 N/A ARG 153.A NE ASP 155.A OD1 no hydrogen 3.323 N/A ARG 153.A NE ASP 155.A OD2 no hydrogen 2.868 N/A ARG 153.A NH2 ASP 155.A OD1 no hydrogen 2.899 N/A ARG 153.A NH2 ASP 155.A OD2 no hydrogen 3.365 N/A THR 154.A N LEU 181.A O no hydrogen 2.918 N/A THR 154.A OG1 ASP 117.A OD1 no hydrogen 2.731 N/A ASP 155.A N ASP 117.A OD2 no hydrogen 2.694 N/A ALA 156.A N THR 154.A OG1 no hydrogen 3.160 N/A LEU 160.A N ALA 156.A O no hydrogen 2.831 N/A GLY 161.A N ALA 156.A O no hydrogen 3.239 N/A GLY 161.A N LEU 157.A O no hydrogen 2.928 N/A CYS 165.A N GLY 161.A O no hydrogen 3.253 N/A CYS 165.A SG GLY 161.A O no hydrogen 3.436 N/A ILE 166.A N TYR 162.A O no hydrogen 3.014 N/A GLU 167.A N GLU 163.A O no hydrogen 2.960 N/A ARG 168.A N GLU 164.A O no hydrogen 2.892 N/A ARG 168.A NE GLU 164.A OE1 no hydrogen 2.754 N/A ARG 168.A NH1 ASP 117.A OD1 no hydrogen 2.861 N/A ARG 168.A NH1 VAL 125.A O no hydrogen 2.989 N/A ARG 168.A NH2 VAL 125.A O no hydrogen 2.945 N/A ARG 168.A NH2 GLU 164.A OE1 no hydrogen 3.509 N/A LEU 169.A N CYS 165.A O no hydrogen 2.964 N/A ARG 170.A N ILE 166.A O no hydrogen 2.903 N/A ARG 170.A NH1 ALA 197.A O no hydrogen 3.154 N/A ALA 171.A N GLU 167.A O no hydrogen 2.968 N/A ALA 172.A N ARG 168.A O no hydrogen 2.903 N/A ARG 173.A N LEU 169.A O no hydrogen 2.878 N/A ARG 173.A NE ASP 174.A OD1 no hydrogen 3.243 N/A ARG 173.A NH1 ASP 174.A OD1 no hydrogen 3.013 N/A ASP 174.A N ARG 170.A O no hydrogen 3.037 N/A GLU 175.A N ALA 171.A O no hydrogen 3.068 N/A GLY 176.A N ARG 173.A O no hydrogen 2.951 N/A ALA 177.A N ALA 172.A O no hydrogen 3.034 N/A ASP 178.A N LEU 150.A O no hydrogen 2.843 N/A VAL 179.A N LEU 150.A O no hydrogen 3.272 N/A GLY 180.A N PRO 202.A O no hydrogen 2.926 N/A LEU 181.A N ALA 152.A O no hydrogen 2.811 N/A GLU 183.A N THR 154.A O no hydrogen 3.127 N/A ARG 186.A N GLN 190.A OE1 no hydrogen 2.800 N/A LYS 188.A NZ GLU 220.A OE2 no hydrogen 3.024 N/A GLN 190.A N SER 187.A OG no hydrogen 3.143 N/A ALA 191.A N SER 187.A O no hydrogen 3.163 N/A ALA 192.A N LYS 188.A O no hydrogen 3.051 N/A ALA 193.A N GLU 189.A O no hydrogen 3.126 N/A ALA 194.A N GLN 190.A O no hydrogen 3.077 N/A VAL 195.A N ALA 191.A O no hydrogen 3.279 N/A ALA 196.A N ALA 192.A O no hydrogen 3.104 N/A ALA 197.A N ALA 193.A O no hydrogen 2.860 N/A LEU 198.A N ALA 194.A O no hydrogen 3.121 N/A TRP 201.A N LEU 198.A O no hydrogen 2.892 N/A TRP 201.A NE1 ALA 177.A O no hydrogen 3.076 N/A LEU 204.A N GLY 180.A O no hydrogen 2.810 N/A LEU 205.A N ILE 228.A O no hydrogen 2.874 N/A ASN 206.A ND2 GLU 183.A OE1 no hydrogen 2.923 N/A ASN 206.A ND2 GLU 183.A OE2 no hydrogen 3.084 N/A SER 207.A N ILE 230.A O no hydrogen 2.871 N/A GLU 209.A N SER 232.A O no hydrogen 3.108 N/A GLY 211.A N VAL 208.A O no hydrogen 3.014 N/A SER 213.A OG PHE 185.A O no hydrogen 2.950 N/A THR 217.A N GLU 220.A OE1 no hydrogen 2.936 N/A GLU 220.A N THR 217.A OG1 no hydrogen 3.077 N/A ALA 221.A N THR 217.A O no hydrogen 2.915 N/A LYS 222.A N VAL 218.A O no hydrogen 2.992 N/A ALA 223.A N GLU 219.A O no hydrogen 3.073 N/A MET 224.A N GLU 220.A O no hydrogen 2.945 N/A GLY 225.A N ALA 221.A O no hydrogen 3.248 N/A GLY 225.A N LYS 222.A O no hydrogen 3.112 N/A PHE 226.A N ALA 221.A O no hydrogen 3.267 N/A ARG 227.A N LEU 203.A O no hydrogen 2.912 N/A ARG 227.A NE GLU 18.A O no hydrogen 2.958 N/A ARG 227.A NH1 LEU 13.A O no hydrogen 2.809 N/A ARG 227.A NH2 LEU 12.A O no hydrogen 3.102 N/A ARG 227.A NH2 GLU 18.A O no hydrogen 2.879 N/A ILE 228.A N LEU 203.A O no hydrogen 3.435 N/A MET 229.A N ILE 20.A O no hydrogen 2.924 N/A ILE 230.A N LEU 205.A O no hydrogen 2.952 N/A PHE 231.A N CYS 22.A O no hydrogen 3.007 N/A SER 232.A N SER 207.A O no hydrogen 2.870 N/A SER 232.A OG ASN 206.A OD1 no hydrogen 2.701 N/A ALA 234.A N PHE 231.A O no hydrogen 3.328 N/A THR 235.A OG1 GLY 24.A O no hydrogen 2.771 N/A ALA 237.A N PHE 233.A O no hydrogen 3.250 N/A ALA 239.A N THR 235.A O no hydrogen 3.097 N/A TYR 240.A N LEU 236.A O no hydrogen 2.997 N/A ALA 241.A N ALA 237.A O no hydrogen 3.079 N/A ALA 242.A N PRO 238.A O no hydrogen 3.060 N/A ILE 243.A N ALA 239.A O no hydrogen 2.881 N/A ARG 244.A N TYR 240.A O no hydrogen 2.883 N/A GLU 245.A N ALA 241.A O no hydrogen 3.035 N/A THR 246.A N ALA 242.A O no hydrogen 2.973 N/A THR 246.A OG1 ALA 242.A O no hydrogen 2.961 N/A LEU 247.A N ILE 243.A O no hydrogen 2.912 N/A VAL 248.A N ARG 244.A O no hydrogen 2.937 N/A ARG 249.A N GLU 245.A O no hydrogen 3.156 N/A ARG 249.A NH1 VAL 256.A O no hydrogen 2.924 N/A LEU 250.A N THR 246.A O no hydrogen 2.925 N/A ARG 251.A N LEU 247.A O no hydrogen 2.859 N/A ARG 251.A NE ASP 252.A OD1 no hydrogen 3.043 N/A ARG 251.A NH2 ASP 252.A OD2 no hydrogen 3.335 N/A ASP 252.A N VAL 248.A O no hydrogen 2.905 N/A HIS 253.A N ARG 249.A O no hydrogen 2.786 N/A GLY 254.A N LEU 250.A O no hydrogen 2.943 N/A ILE 262.A N PRO 259.A O no hydrogen 3.110 N/A ARG 266.A N THR 263.A OG1 no hydrogen 3.008 N/A LEU 267.A N THR 263.A O no hydrogen 3.038 N/A PHE 268.A N PRO 264.A O no hydrogen 2.862 N/A GLU 269.A N VAL 265.A O no hydrogen 2.843 N/A VAL 270.A N ARG 266.A O no hydrogen 2.972 N/A CYS 271.A N LEU 267.A O no hydrogen 2.960 N/A CYS 271.A SG LEU 267.A O no hydrogen 3.544 N/A GLY 272.A N GLU 269.A O no hydrogen 3.295 N/A LEU 273.A N PHE 268.A O no hydrogen 2.936 N/A ALA 276.A N GLY 272.A O no hydrogen 3.146 N/A MET 277.A N LEU 273.A O no hydrogen 2.846 N/A GLU 278.A N GLN 274.A O no hydrogen 2.989 N/A VAL 279.A N ASP 275.A O no hydrogen 3.112 N/A ASP 280.A N ALA 276.A O no hydrogen 2.897 N/A ASN 281.A N MET 277.A O no hydrogen 2.839 N/A GLY 282.A N GLU 278.A O no hydrogen 2.942 N/A ALA 283.A N VAL 279.A O no hydrogen 3.044 N/A GLY 284.A N ASN 281.A O no hydrogen 3.171 N/A