Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a5f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASP 181.A OD1 no hydrogen 3.504 N/A SER 1.A OG ASP 181.A OD2 no hydrogen 2.705 N/A PHE 3.A N TYR 183.A OH no hydrogen 3.468 N/A GLY 5.A N ILE 199.A O no hydrogen 2.935 N/A SER 6.A N ASP 37.A OD2 no hydrogen 2.824 N/A GLY 7.A N VAL 201.A O no hydrogen 2.854 N/A VAL 8.A N ALA 38.A O no hydrogen 2.987 N/A ALA 9.A N SER 203.A O no hydrogen 2.878 N/A ILE 10.A N ILE 40.A O no hydrogen 2.993 N/A ILE 11.A N ASN 207.A OD1 no hydrogen 3.172 N/A THR 12.A OG1 GLY 46.A O no hydrogen 2.735 N/A THR 15.A N GLY 18.A O no hydrogen 2.888 N/A THR 17.A N THR 15.A OG1 no hydrogen 3.183 N/A ASP 20.A N PRO 13.A O no hydrogen 2.829 N/A LYS 23.A N ASP 20.A OD1 no hydrogen 3.028 N/A LYS 23.A NZ GLU 26.A OE1 no hydrogen 3.032 N/A LYS 23.A NZ GLU 26.A OE2 no hydrogen 2.989 N/A LYS 23.A NZ MET 260.A O no hydrogen 2.757 N/A LEU 24.A N ASP 20.A O no hydrogen 2.957 N/A SER 25.A N PHE 21.A O no hydrogen 2.881 N/A GLU 26.A N ASP 22.A O no hydrogen 3.143 N/A LEU 27.A N LYS 23.A O no hydrogen 2.906 N/A ILE 28.A N LEU 24.A O no hydrogen 2.931 N/A GLU 29.A N SER 25.A O no hydrogen 3.075 N/A TRP 30.A N GLU 26.A O no hydrogen 2.977 N/A HIS 31.A N LEU 27.A O no hydrogen 2.861 N/A HIS 31.A ND1 THR 36.A OG1 no hydrogen 2.835 N/A ILE 32.A N ILE 28.A O no hydrogen 3.004 N/A LYS 33.A N GLU 29.A O no hydrogen 3.000 N/A SER 34.A N TRP 30.A O no hydrogen 2.851 N/A SER 34.A N HIS 31.A O no hydrogen 3.099 N/A SER 34.A OG TRP 30.A O no hydrogen 2.716 N/A LYS 35.A N ILE 32.A O no hydrogen 3.271 N/A THR 36.A N HIS 31.A O no hydrogen 3.091 N/A THR 36.A OG1 HIS 31.A ND1 no hydrogen 2.835 N/A THR 36.A OG1 HIS 31.A O no hydrogen 3.547 N/A ASP 37.A N SER 6.A O no hydrogen 2.814 N/A ALA 38.A N SER 6.A O no hydrogen 3.335 N/A ILE 39.A N PRO 72.A O no hydrogen 2.998 N/A ILE 40.A N VAL 8.A O no hydrogen 2.788 N/A VAL 41.A N ILE 74.A O no hydrogen 2.830 N/A THR 44.A OG1 TYR 133.A OH.A no hydrogen 2.760 N/A GLY 46.A N GLY 43.A O no hydrogen 2.994 N/A GLU 47.A N THR 44.A O no hydrogen 2.996 N/A THR 50.A N GLU 47.A O no hydrogen 3.121 N/A THR 50.A OG1 GLU 47.A O no hydrogen 3.275 N/A MET 51.A N ALA 48.A O no hydrogen 3.137 N/A THR 52.A N GLU 55.A OE1 no hydrogen 2.928 N/A GLU 55.A N THR 52.A OG1 no hydrogen 2.969 N/A ARG 56.A N THR 52.A O no hydrogen 2.874 N/A ARG 56.A NH1.B ALA 48.A O no hydrogen 3.126 N/A LYS 57.A N GLU 53.A O no hydrogen 2.967 N/A LYS 57.A NZ GLU 53.A OE2 no hydrogen 2.912 N/A GLU 58.A N THR 54.A O no hydrogen 2.848 N/A THR 59.A N GLU 55.A O no hydrogen 2.902 N/A THR 59.A OG1 GLU 55.A O no hydrogen 2.784 N/A ILE 60.A N ARG 56.A O no hydrogen 2.862 N/A LYS 61.A N LYS 57.A O no hydrogen 2.920 N/A LYS 61.A NZ ASP 65.A OD2 no hydrogen 2.835 N/A PHE 62.A N GLU 58.A O no hydrogen 2.889 N/A VAL 63.A N THR 59.A O no hydrogen 2.977 N/A ILE 64.A N ILE 60.A O no hydrogen 3.025 N/A ASP 65.A N LYS 61.A O no hydrogen 2.843 N/A LYS 66.A N PHE 62.A O no hydrogen 2.792 N/A VAL 67.A N VAL 63.A O no hydrogen 2.888 N/A ASN 68.A N ILE 64.A O no hydrogen 3.048 N/A LYS 69.A NZ.B GLY 96.A O no hydrogen 3.545 N/A LYS 69.A NZ.B ASP 98.A OD1 no hydrogen 2.754 N/A ARG 70.A N VAL 67.A O no hydrogen 3.085 N/A ARG 70.A NE VAL 67.A O no hydrogen 2.917 N/A ARG 70.A NH1 GLU 29.A OE2 no hydrogen 2.967 N/A ARG 70.A NH1 LYS 66.A O no hydrogen 2.865 N/A ARG 70.A NH2 GLU 29.A OE1 no hydrogen 2.836 N/A ARG 70.A NH2 GLU 29.A OE2 no hydrogen 3.561 N/A VAL 73.A N ASP 98.A OD2 no hydrogen 2.891 N/A ILE 74.A N ILE 39.A O no hydrogen 2.854 N/A ALA 75.A N GLY 99.A O no hydrogen 3.014 N/A GLY 76.A N VAL 41.A O no hydrogen 2.959 N/A THR 77.A N LEU 101.A O no hydrogen 3.113 N/A THR 77.A OG1 SER 89.A OG no hydrogen 2.821 N/A SER 79.A N SER 85.A OG no hydrogen 2.868 N/A SER 79.A OG.A ASN 81.A O no hydrogen 3.405 N/A ASN 80.A ND2 TYR 106.A O no hydrogen 2.933 N/A ASN 81.A N SER 79.A OG.A no hydrogen 3.356 N/A ASN 81.A N SER 79.A OG.B no hydrogen 3.041 N/A THR 82.A OG1 HIS 118.A ND1 no hydrogen 2.747 N/A ALA 84.A N ASN 81.A OD1 no hydrogen 2.981 N/A SER 85.A N ASN 81.A O no hydrogen 2.983 N/A SER 85.A OG SER 79.A O no hydrogen 3.168 N/A SER 85.A OG ASN 81.A O no hydrogen 2.903 N/A ILE 86.A N THR 82.A O no hydrogen 2.925 N/A ALA 87.A N ALA 83.A O no hydrogen 3.054 N/A MET 88.A N ALA 84.A O no hydrogen 2.956 N/A SER 89.A N SER 85.A O no hydrogen 3.008 N/A SER 89.A OG THR 77.A OG1 no hydrogen 2.821 N/A SER 89.A OG SER 85.A O no hydrogen 2.740 N/A LYS 90.A N ILE 86.A O no hydrogen 2.888 N/A TRP 91.A N ALA 87.A O no hydrogen 2.963 N/A ALA 92.A N MET 88.A O no hydrogen 2.945 N/A GLU 93.A N SER 89.A O no hydrogen 3.009 N/A SER 94.A N LYS 90.A O no hydrogen 3.025 N/A SER 94.A OG TRP 91.A O no hydrogen 2.636 N/A ILE 95.A N TRP 91.A O no hydrogen 3.320 N/A ILE 95.A N ALA 92.A O no hydrogen 3.294 N/A GLY 96.A N GLU 93.A O no hydrogen 3.124 N/A VAL 97.A N ALA 92.A O no hydrogen 3.199 N/A ASP 98.A N VAL 73.A O no hydrogen 2.900 N/A LEU 100.A N PRO 129.A O no hydrogen 2.834 N/A LEU 101.A N ALA 75.A O no hydrogen 2.837 N/A VAL 102.A N ILE 131.A O no hydrogen 2.853 N/A THR 104.A N TYR 133.A O no hydrogen 3.128 N/A THR 104.A OG1 PRO 105.A O no hydrogen 2.913 N/A TYR 107.A N THR 139.A O no hydrogen 3.304 N/A ASN 108.A N TYR 106.A O no hydrogen 2.815 N/A ASN 108.A ND2 ASN 80.A O no hydrogen 2.961 N/A LYS 109.A NZ GLY 140.A O no hydrogen 2.918 N/A THR 111.A N THR 110.A OG1 no hydrogen 2.753 N/A GLN 112.A NE2 ASN 142.A O no hydrogen 2.949 N/A GLY 114.A N THR 111.A OG1 no hydrogen 2.999 N/A LEU 115.A N THR 111.A O no hydrogen 2.852 N/A VAL 116.A N GLN 112.A O no hydrogen 3.137 N/A LYS 117.A N LYS 113.A O no hydrogen 3.164 N/A HIS 118.A N GLY 114.A O no hydrogen 2.776 N/A HIS 118.A ND1 THR 82.A OG1 no hydrogen 2.747 N/A PHE 119.A N LEU 115.A O no hydrogen 3.014 N/A LYS 120.A N VAL 116.A O no hydrogen 2.889 N/A ALA 121.A N LYS 117.A O no hydrogen 2.933 N/A VAL 122.A N HIS 118.A O no hydrogen 3.082 N/A SER 123.A N PHE 119.A O no hydrogen 2.892 N/A SER 123.A OG ASP 154.A OD1 no hydrogen 3.179 N/A SER 123.A OG ASP 154.A OD2 no hydrogen 2.496 N/A SER 123.A OG ASN 156.A OD1 no hydrogen 3.035 N/A ASP 124.A N LYS 120.A O no hydrogen 2.819 N/A ALA 125.A N VAL 122.A O no hydrogen 3.135 N/A VAL 126.A N SER 123.A O no hydrogen 3.124 N/A SER 127.A N GLU 93.A OE2 no hydrogen 2.719 N/A SER 127.A OG.B GLU 93.A OE2 no hydrogen 3.321 N/A THR 128.A OG1 GLU 93.A OE2 no hydrogen 2.648 N/A ILE 130.A N ASN 156.A O no hydrogen 2.754 N/A ILE 131.A N LEU 100.A O no hydrogen 2.770 N/A ILE 132.A N ALA 159.A O no hydrogen 2.914 N/A TYR 133.A N VAL 102.A O no hydrogen 2.971 N/A TYR 133.A OH.A THR 44.A OG1 no hydrogen 2.760 N/A ASN 134.A ND2 ASN 142.A OD1 no hydrogen 2.890 N/A ASN 134.A ND2 GLU 161.A OE2 no hydrogen 2.931 N/A ARG 138.A N VAL 135.A O no hydrogen 2.926 N/A ARG 138.A NH1 ASN 247.A O no hydrogen 2.953 N/A THR 139.A N VAL 135.A O no hydrogen 3.030 N/A THR 139.A OG1 VAL 135.A O no hydrogen 3.270 N/A THR 139.A OG1 LEU 141.A O no hydrogen 3.010 N/A GLY 140.A N PRO 136.A O no hydrogen 2.922 N/A LEU 141.A N THR 139.A OG1 no hydrogen 2.960 N/A ASN 142.A ND2 GLN 168.A OE1 no hydrogen 2.917 N/A ILE 143.A N ASN 134.A OD1 no hydrogen 2.973 N/A THR 144.A N GLN 112.A OE1 no hydrogen 3.170 N/A THR 144.A OG1 GLN 112.A OE1 no hydrogen 3.322 N/A THR 144.A OG1 THR 147.A OG1 no hydrogen 3.044 N/A THR 147.A N THR 144.A OG1 no hydrogen 3.067 N/A THR 147.A OG1 GLN 112.A OE1 no hydrogen 2.690 N/A THR 147.A OG1 THR 144.A OG1 no hydrogen 3.044 N/A LEU 148.A N THR 144.A O no hydrogen 2.895 N/A LYS 149.A N PRO 145.A O no hydrogen 2.843 N/A LYS 149.A NZ LEU 175.A O no hydrogen 2.694 N/A GLU 150.A N GLY 146.A O no hydrogen 3.202 N/A LEU 151.A N THR 147.A O no hydrogen 3.247 N/A LEU 151.A N LEU 148.A O no hydrogen 3.029 N/A CYS 152.A SG LYS 149.A O no hydrogen 3.601 N/A ASP 154.A N LEU 151.A O no hydrogen 3.003 N/A ASN 156.A N ASP 154.A OD2 no hydrogen 2.983 N/A ILE 157.A N ASP 154.A O no hydrogen 3.242 N/A ILE 157.A N ASP 154.A OD2 no hydrogen 3.280 N/A VAL 158.A N ILE 130.A O no hydrogen 3.017 N/A VAL 160.A N ASP 181.A O no hydrogen 2.823 N/A ALA 162.A N ASN 134.A O no hydrogen 2.836 N/A SER 163.A N GLU 161.A OE1 no hydrogen 2.944 N/A SER 163.A OG GLU 161.A OE1 no hydrogen 2.673 N/A SER 163.A OG GLU 161.A OE2 no hydrogen 3.422 N/A ASN 165.A N SER 163.A OG no hydrogen 3.092 N/A GLN 168.A N ASN 165.A OD1 no hydrogen 3.150 N/A GLN 168.A NE2 ASN 142.A OD1 no hydrogen 2.919 N/A GLN 168.A NE2 GLU 161.A OE2 no hydrogen 2.905 N/A ILE 169.A N ASN 165.A O no hydrogen 3.155 N/A ALA 170.A N ILE 166.A O no hydrogen 3.107 N/A GLN 171.A N SER 167.A O no hydrogen 3.084 N/A ILE 172.A N GLN 168.A O no hydrogen 2.930 N/A LYS 173.A N ILE 169.A O no hydrogen 3.120 N/A LYS 173.A NZ GLY 177.A O no hydrogen 2.991 N/A LYS 173.A NZ LEU 180.A O no hydrogen 3.284 N/A ALA 174.A N ALA 170.A O no hydrogen 2.920 N/A LEU 175.A N GLN 171.A O no hydrogen 2.982 N/A CYS 176.A N ILE 172.A O no hydrogen 2.828 N/A GLY 177.A N LYS 173.A O no hydrogen 2.934 N/A LYS 179.A N CYS 176.A O no hydrogen 3.038 N/A LEU 180.A N GLY 177.A O no hydrogen 3.294 N/A ASP 181.A N VAL 158.A O no hydrogen 2.899 N/A TYR 183.A N VAL 160.A O no hydrogen 2.866 N/A TYR 183.A OH PHE 3.A O no hydrogen 2.640 N/A SER 184.A N GLY 200.A O no hydrogen 2.934 N/A SER 184.A OG ASN 186.A O no hydrogen 2.704 N/A GLY 185.A N GLU 161.A O no hydrogen 2.944 N/A ASN 186.A N SER 184.A OG no hydrogen 3.008 N/A GLN 189.A N ASN 186.A O no hydrogen 3.068 N/A GLN 189.A NE2 GLY 164.A O no hydrogen 3.486 N/A ILE 191.A N GLN 232.A OE1 no hydrogen 2.897 N/A ILE 193.A N GLN 189.A O no hydrogen 3.167 N/A LEU 194.A N ILE 190.A O no hydrogen 2.855 N/A ALA 195.A N ILE 191.A O no hydrogen 2.886 N/A LEU 196.A N PRO 192.A O no hydrogen 3.241 N/A LEU 196.A N ILE 193.A O no hydrogen 3.159 N/A GLY 197.A N LEU 194.A O no hydrogen 2.898 N/A GLY 198.A N ILE 193.A O no hydrogen 2.879 N/A ILE 199.A N ILE 182.A O no hydrogen 2.924 N/A VAL 201.A N GLY 5.A O no hydrogen 2.916 N/A ILE 202.A N SER 184.A O no hydrogen 2.959 N/A SER 203.A N GLY 7.A O no hydrogen 2.798 N/A SER 203.A OG ASP 187.A OD1 no hydrogen 2.597 N/A SER 203.A OG ASP 187.A OD2 no hydrogen 3.535 N/A VAL 204.A N ASP 187.A OD2 no hydrogen 2.979 N/A LEU 205.A N ASP 187.A OD2 no hydrogen 2.858 N/A ALA 206.A N SER 203.A OG no hydrogen 2.901 N/A ASN 207.A N VAL 204.A O no hydrogen 2.926 N/A ASN 207.A ND2 ALA 9.A O no hydrogen 2.852 N/A ASN 207.A ND2 VAL 204.A O no hydrogen 3.041 N/A VAL 208.A N LEU 205.A O no hydrogen 2.979 N/A ILE 209.A N LEU 205.A O no hydrogen 3.041 N/A VAL 213.A N ILE 209.A O no hydrogen 3.186 N/A HIS 214.A N PRO 210.A O no hydrogen 3.026 N/A HIS 214.A ND1 ASP 37.A OD2 no hydrogen 2.755 N/A ASN 215.A N GLU 211.A O no hydrogen 2.849 N/A MET 216.A N ASP 212.A O no hydrogen 2.880 N/A CYS 217.A N VAL 213.A O no hydrogen 3.192 N/A CYS 217.A SG VAL 213.A O no hydrogen 3.535 N/A GLU 218.A N HIS 214.A O no hydrogen 2.913 N/A LEU 219.A N ASN 215.A O no hydrogen 2.839 N/A TYR 220.A N MET 216.A O no hydrogen 3.155 N/A LEU 221.A N CYS 217.A O no hydrogen 2.949 N/A ASN 222.A N GLU 218.A O no hydrogen 3.034 N/A ASN 222.A N LEU 219.A O no hydrogen 3.250 N/A ASN 222.A ND2 GLU 218.A O no hydrogen 2.697 N/A GLY 223.A N TYR 220.A O no hydrogen 2.901 N/A LYS 224.A N LEU 219.A O no hydrogen 2.834 N/A ALA 228.A N LYS 224.A O no hydrogen 3.027 N/A LEU 229.A N VAL 225.A O no hydrogen 2.923 N/A LYS 230.A N ASN 226.A O no hydrogen 3.048 N/A LYS 230.A NZ ASP 234.A OD2 no hydrogen 2.834 N/A ILE 231.A N GLU 227.A O no hydrogen 3.474 N/A GLN 232.A N ALA 228.A O no hydrogen 3.115 N/A GLN 232.A NE2 ASP 187.A O no hydrogen 2.905 N/A LEU 233.A N LEU 229.A O no hydrogen 2.840 N/A ASP 234.A N LYS 230.A O no hydrogen 2.870 N/A SER 235.A N ILE 231.A O no hydrogen 3.046 N/A SER 235.A OG ILE 231.A O no hydrogen 2.798 N/A SER 235.A OG GLN 232.A O no hydrogen 3.380 N/A LEU 236.A N LEU 233.A O no hydrogen 3.240 N/A THR 239.A N SER 235.A O no hydrogen 2.893 N/A THR 239.A OG1 SER 235.A O no hydrogen 2.810 N/A ASN 240.A N LEU 236.A O no hydrogen 2.880 N/A ALA 241.A N ALA 237.A O no hydrogen 2.988 N/A LEU 242.A N LEU 238.A O no hydrogen 2.998 N/A LEU 242.A N THR 239.A O no hydrogen 3.055 N/A PHE 243.A N ASN 240.A O no hydrogen 2.985 N/A ILE 244.A N ALA 241.A O no hydrogen 3.204 N/A ASN 247.A ND2 THR 45.A OG1 no hydrogen 2.927 N/A ILE 249.A N THR 246.A O no hydrogen 2.821 N/A LYS 252.A N PRO 248.A O no hydrogen 3.049 N/A LYS 252.A NZ.A THR 12.A O no hydrogen 2.738 N/A LYS 252.A NZ.A GLU 47.A OE1 no hydrogen 2.652 N/A LYS 252.A NZ.B THR 12.A O no hydrogen 2.743 N/A LYS 252.A NZ.B GLU 47.A OE1 no hydrogen 2.721 N/A THR 253.A N ILE 249.A O no hydrogen 3.123 N/A THR 253.A OG1 ILE 249.A O no hydrogen 2.721 N/A ALA 254.A N PRO 250.A O no hydrogen 2.800 N/A MET 255.A N VAL 251.A O no hydrogen 2.920 N/A ASN 256.A N LYS 252.A O no hydrogen 3.038 N/A ASN 256.A ND2 GLY 263.A O no hydrogen 2.868 N/A LEU 257.A N THR 253.A O no hydrogen 2.930 N/A MET 258.A N ALA 254.A O no hydrogen 2.908 N/A ASN 259.A N ASN 256.A O no hydrogen 2.951 N/A MET 260.A N MET 255.A O no hydrogen 2.987 N/A LYS 261.A NZ ASN 259.A OD1.A no hydrogen 2.868 N/A VAL 262.A N ASN 256.A OD1 no hydrogen 2.788 N/A ARG 266.A N GLU 47.A OE2 no hydrogen 3.012 N/A ARG 266.A NH1 THR 50.A O no hydrogen 2.972 N/A ARG 266.A NH1 GLU 55.A OE1 no hydrogen 2.821 N/A ARG 266.A NH1 GLU 55.A OE2 no hydrogen 3.551 N/A ARG 266.A NH2 GLY 18.A O no hydrogen 3.550 N/A ARG 266.A NH2 GLU 55.A OE2 no hydrogen 2.944 N/A LEU 269.A N ARG 266.A O no hydrogen 3.006 N/A CYS 270.A SG GLU 271.A O no hydrogen 3.607 N/A ASN 273.A N GLU 245.A OE2 no hydrogen 3.014 N/A ASN 275.A ND2 ASN 276.A OD1 no hydrogen 3.199 N/A ASN 276.A N ASN 273.A OD1 no hydrogen 2.819 N/A ASN 276.A ND2 GLU 245.A OE2 no hydrogen 2.839 N/A LEU 277.A N ASN 273.A O no hydrogen 2.938 N/A GLU 278.A N.A GLU 274.A O no hydrogen 3.022 N/A GLU 278.A N.B GLU 274.A O no hydrogen 3.052 N/A ILE 279.A N ASN 275.A O no hydrogen 3.110 N/A LEU 280.A N ASN 276.A O no hydrogen 2.987 N/A LYS 281.A N LEU 277.A O no hydrogen 2.889 N/A LYS 281.A NZ GLU 278.A OE2.B no hydrogen 3.053 N/A LYS 282.A N GLU 278.A O.A no hydrogen 2.927 N/A LYS 282.A N GLU 278.A O.B no hydrogen 3.066 N/A GLU 283.A N ILE 279.A O no hydrogen 3.090 N/A LEU 284.A N LEU 280.A O no hydrogen 2.921 N/A LYS 285.A N LYS 281.A O no hydrogen 2.899 N/A ALA 286.A N LYS 282.A O no hydrogen 2.971 N/A TYR 287.A N GLU 283.A O no hydrogen 3.053 N/A TYR 287.A OH ASP 212.A OD2 no hydrogen 2.639 N/A ASN 288.A N LYS 285.A O no hydrogen 2.920 N/A LEU 289.A N LEU 284.A O no hydrogen 2.912 N/A