Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a40_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NE ARG 200.A O no hydrogen 2.672 N/A ARG 4.A NH2 CYS 201.A O no hydrogen 3.328 N/A SER 8.A N GLN 11.A OE1 no hydrogen 3.028 N/A GLN 11.A N SER 8.A OG no hydrogen 2.965 N/A GLN 12.A N SER 8.A O no hydrogen 2.937 N/A GLN 12.A NE2.B LEU 7.A O no hydrogen 3.300 N/A GLN 12.A NE2.B SER 8.A O no hydrogen 3.591 N/A ARG 13.A N GLU 9.A O no hydrogen 3.048 N/A ILE 14.A N GLU 10.A O no hydrogen 2.851 N/A ILE 15.A N GLN 11.A O no hydrogen 3.021 N/A ALA 16.A N GLN 12.A O no hydrogen 3.005 N/A ILE 17.A N ARG 13.A O no hydrogen 2.809 N/A LEU 18.A N ILE 14.A O no hydrogen 2.934 N/A LEU 19.A N ILE 15.A O no hydrogen 2.922 N/A ASP 20.A N ALA 16.A O no hydrogen 2.948 N/A ALA 21.A N ILE 17.A O no hydrogen 2.822 N/A HIS 22.A N LEU 18.A O no hydrogen 2.930 N/A HIS 22.A NE2 GLU 109.A OE1 no hydrogen 2.934 N/A HIS 23.A N LEU 19.A O no hydrogen 2.873 N/A HIS 23.A NE2 GLU 159.A OE1 no hydrogen 2.946 N/A HIS 23.A NE2 GLU 159.A OE2 no hydrogen 2.878 N/A LYS 24.A N ASP 20.A O no hydrogen 2.965 N/A LYS 24.A NZ ASP 20.A OD2 no hydrogen 2.707 N/A THR 25.A N HIS 22.A O no hydrogen 3.052 N/A THR 25.A OG1 ALA 21.A O no hydrogen 2.748 N/A THR 25.A OG1 HIS 22.A O no hydrogen 3.542 N/A TYR 26.A OH TYR 30.A OH no hydrogen 2.647 N/A THR 29.A N ASP 27.A OD1 no hydrogen 2.910 N/A THR 29.A OG1 ASP 27.A OD1 no hydrogen 2.762 N/A THR 29.A OG1 ASP 27.A OD2 no hydrogen 3.407 N/A TYR 30.A N ASP 27.A O no hydrogen 3.157 N/A TYR 30.A OH TYR 26.A OH no hydrogen 2.647 N/A SER 31.A N ASP 27.A OD2 no hydrogen 3.128 N/A SER 31.A OG ASP 27.A OD2 no hydrogen 2.735 N/A PHE 33.A N TYR 30.A O no hydrogen 3.202 N/A CYS 34.A SG SER 31.A O no hydrogen 3.808 N/A GLN 35.A N ASP 32.A O no hydrogen 2.934 N/A PHE 36.A N PHE 33.A O no hydrogen 3.128 N/A ARG 37.A N ASP 64.A OD2 no hydrogen 2.780 N/A ARG 37.A NE ASP 64.A OD1 no hydrogen 3.428 N/A ARG 37.A NE ASP 64.A OD2 no hydrogen 2.979 N/A ARG 37.A NH1 MET 244.A O no hydrogen 2.888 N/A ARG 37.A NH2 ASP 64.A OD1 no hydrogen 2.884 N/A ARG 37.A NH2 LYS 245.A O no hydrogen 3.310 N/A ARG 37.A NH2 LEU 246.A O no hydrogen 2.999 N/A ARG 41.A NE ASP 131.A OD1 no hydrogen 2.764 N/A ARG 41.A NH1 ASP 124.A O no hydrogen 2.987 N/A ARG 41.A NH2 ASP 124.A O no hydrogen 3.161 N/A ARG 41.A NH2 ASP 131.A OD2 no hydrogen 3.236 N/A VAL 42.A N SER 57.A OG no hydrogen 3.392 N/A GLY 47.A N ASP 44.A O no hydrogen 3.040 N/A SER 48.A N ASP 44.A OD1 no hydrogen 2.853 N/A LEU 51.A N SER 48.A OG no hydrogen 3.052 N/A GLU 52.A N SER 48.A O no hydrogen 2.851 N/A LEU 53.A N VAL 49.A O no hydrogen 2.901 N/A SER 54.A N THR 50.A O no hydrogen 2.917 N/A SER 54.A OG.A THR 50.A O no hydrogen 3.477 N/A SER 54.A OG.A LEU 51.A O no hydrogen 2.818 N/A GLN 55.A N LEU 51.A O no hydrogen 3.034 N/A LEU 56.A N GLU 52.A O no hydrogen 2.718 N/A SER 57.A OG VAL 40.A O no hydrogen 2.766 N/A MET 58.A N LYS 134.A O no hydrogen 3.383 N/A LEU 59.A N LEU 56.A O no hydrogen 3.052 N/A HIS 61.A ND1 ARG 37.A O no hydrogen 2.767 N/A HIS 61.A NE2 TYR 127.A OH no hydrogen 2.730 N/A LEU 62.A N MET 58.A O no hydrogen 2.977 N/A ALA 63.A N LEU 59.A O no hydrogen 2.737 N/A ASP 64.A N PRO 60.A O no hydrogen 2.984 N/A LEU 65.A N HIS 61.A O no hydrogen 2.900 N/A VAL 66.A N LEU 62.A O no hydrogen 2.849 N/A SER 67.A N ALA 63.A O no hydrogen 2.779 N/A SER 67.A OG THR 247.A OG1 no hydrogen 2.766 N/A TYR 68.A N ASP 64.A O no hydrogen 2.872 N/A TYR 68.A OH ASP 32.A OD2 no hydrogen 2.623 N/A SER 69.A N LEU 65.A O no hydrogen 2.983 N/A SER 69.A OG LEU 65.A O no hydrogen 2.779 N/A ILE 70.A N VAL 66.A O no hydrogen 2.822 N/A GLN 71.A N SER 67.A O no hydrogen 3.054 N/A LYS 72.A N TYR 68.A O no hydrogen 3.013 N/A VAL 73.A N SER 69.A O no hydrogen 2.829 N/A ILE 74.A N ILE 70.A O no hydrogen 2.878 N/A GLY 75.A N GLN 71.A O no hydrogen 3.123 N/A PHE 76.A N LYS 72.A O no hydrogen 2.900 N/A ALA 77.A N VAL 73.A O no hydrogen 2.811 N/A LYS 78.A N ILE 74.A O no hydrogen 3.076 N/A MET 79.A N PHE 76.A O no hydrogen 3.024 N/A ILE 80.A N ALA 77.A O no hydrogen 2.958 N/A PHE 83.A N ILE 80.A O no hydrogen 2.951 N/A ARG 84.A NE LYS 78.A O no hydrogen 2.811 N/A ASP 85.A N GLY 82.A O no hydrogen 2.894 N/A LEU 86.A N PHE 83.A O no hydrogen 3.123 N/A GLU 89.A N GLU 89.A OE1 no hydrogen 2.878 N/A ASP 90.A N THR 87.A OG1 no hydrogen 3.133 N/A GLN 91.A N THR 87.A O no hydrogen 2.931 N/A GLN 91.A NE2 LEU 86.A O no hydrogen 2.989 N/A ILE 92.A N SER 88.A O no hydrogen 2.951 N/A VAL 93.A N GLU 89.A O no hydrogen 3.035 N/A LEU 94.A N ASP 90.A O no hydrogen 2.974 N/A LEU 95.A N GLN 91.A O no hydrogen 2.992 N/A LYS 96.A N ILE 92.A O no hydrogen 2.943 N/A LYS 96.A NZ GLU 252.A OE2 no hydrogen 2.991 N/A SER 97.A N VAL 93.A O no hydrogen 3.008 N/A SER 97.A OG VAL 93.A O no hydrogen 2.807 N/A SER 97.A OG LEU 94.A O no hydrogen 3.230 N/A SER 98.A N LEU 94.A O no hydrogen 3.076 N/A SER 98.A OG LEU 94.A O no hydrogen 2.756 N/A ALA 99.A N LEU 95.A O no hydrogen 2.972 N/A VAL 102.A N SER 98.A O no hydrogen 2.909 N/A ILE 103.A N ALA 99.A O no hydrogen 2.891 N/A MET 104.A N ILE 100.A O no hydrogen 2.958 N/A LEU 105.A N GLU 101.A O no hydrogen 2.923 N/A ARG 106.A N VAL 102.A O no hydrogen 2.750 N/A ARG 106.A NH2 THR 25.A O no hydrogen 2.887 N/A SER 107.A N ILE 103.A O no hydrogen 2.937 N/A SER 107.A OG MET 104.A O no hydrogen 2.808 N/A ASN 108.A N LEU 105.A O no hydrogen 3.035 N/A ASN 108.A ND2 GLN 149.A O no hydrogen 3.017 N/A ASN 108.A ND2 GLN 149.A OE1 no hydrogen 2.846 N/A GLU 109.A N ARG 106.A O no hydrogen 3.186 N/A SER 110.A N SER 107.A O no hydrogen 3.007 N/A SER 110.A OG SER 107.A O no hydrogen 3.145 N/A PHE 111.A N SER 107.A O no hydrogen 3.051 N/A THR 112.A N SER 117.A O no hydrogen 2.852 N/A ASP 114.A N THR 112.A OG1 no hydrogen 3.007 N/A SER 117.A OG ASP 115.A OD1 no hydrogen 2.674 N/A SER 117.A OG ASP 115.A OD2 no hydrogen 3.463 N/A SER 117.A OG THR 119.A OG1 no hydrogen 2.759 N/A TRP 118.A N TYR 127.A O no hydrogen 2.849 N/A TRP 118.A NE1 SER 107.A OG no hydrogen 2.961 N/A THR 119.A N SER 110.A O no hydrogen 2.912 N/A THR 119.A OG1 SER 117.A OG no hydrogen 2.759 N/A CYS 120.A N TYR 125.A O no hydrogen 2.906 N/A ASP 124.A N ASN 122.A OD1 no hydrogen 2.783 N/A TYR 125.A N ASN 122.A O no hydrogen 3.025 N/A LYS 126.A N GLN 123.A O no hydrogen 3.266 N/A LYS 126.A NZ ASP 115.A OD2 no hydrogen 2.767 N/A LYS 126.A NZ SER 117.A OG no hydrogen 3.292 N/A LYS 126.A NZ THR 119.A OG1 no hydrogen 2.884 N/A TYR 127.A N TRP 118.A O no hydrogen 2.888 N/A TYR 127.A OH HIS 61.A NE2 no hydrogen 2.730 N/A ARG 128.A N ASP 131.A OD2 no hydrogen 2.970 N/A ASP 131.A N ARG 128.A O no hydrogen 2.850 N/A THR 133.A N VAL 129.A O no hydrogen 3.132 N/A THR 133.A OG1.A VAL 129.A O no hydrogen 3.153 N/A THR 133.A OG1.B SER 130.A O no hydrogen 2.716 N/A LYS 134.A N SER 130.A O no hydrogen 3.141 N/A LYS 134.A NZ SER 130.A O no hydrogen 3.394 N/A ALA 135.A N VAL 132.A O no hydrogen 3.022 N/A GLY 136.A N THR 133.A O no hydrogen 3.026 N/A HIS 137.A N VAL 132.A O no hydrogen 3.358 N/A HIS 137.A ND1 GLN 232.A OE1 no hydrogen 2.979 N/A SER 138.A N GLN 232.A OE1 no hydrogen 2.902 N/A LEU 141.A N SER 138.A O no hydrogen 3.013 N/A ILE 142.A N SER 138.A O no hydrogen 3.124 N/A GLU 143.A N LEU 139.A O no hydrogen 2.827 N/A LEU 145.A N LEU 141.A O no hydrogen 3.025 N/A ILE 146.A N ILE 142.A O no hydrogen 2.961 N/A LYS 147.A N GLU 143.A O no hydrogen 3.046 N/A PHE 148.A N PRO 144.A O no hydrogen 2.906 N/A GLN 149.A N LEU 145.A O no hydrogen 2.955 N/A GLN 149.A NE2 MET 104.A O no hydrogen 2.955 N/A VAL 150.A N ILE 146.A O no hydrogen 3.029 N/A GLY 151.A N LYS 147.A O no hydrogen 2.926 N/A LEU 152.A N PHE 148.A O no hydrogen 2.880 N/A LYS 153.A N GLN 149.A O no hydrogen 2.915 N/A LYS 153.A NZ ASN 108.A O no hydrogen 2.873 N/A LYS 153.A NZ PHE 111.A O no hydrogen 2.890 N/A LYS 154.A N VAL 150.A O no hydrogen 2.964 N/A LEU 155.A N LEU 152.A O no hydrogen 3.161 N/A ASN 156.A N LYS 153.A O no hydrogen 2.921 N/A HIS 158.A N GLU 161.A OE1 no hydrogen 2.846 N/A HIS 158.A ND1 TYR 198.A OH no hydrogen 2.734 N/A GLU 160.A N GLU 160.A OE1 no hydrogen 2.720 N/A HIS 162.A N HIS 158.A O no hydrogen 2.965 N/A VAL 163.A N GLU 159.A O no hydrogen 2.915 N/A LEU 164.A N GLU 160.A O no hydrogen 3.127 N/A LEU 165.A N GLU 161.A O no hydrogen 2.864 N/A MET 166.A N HIS 162.A O no hydrogen 3.082 N/A ALA 167.A N VAL 163.A O no hydrogen 3.062 N/A ILE 168.A N LEU 164.A O no hydrogen 2.880 N/A CYS 169.A N LEU 165.A O no hydrogen 2.919 N/A CYS 169.A SG GLU 101.A OE1 no hydrogen 3.342 N/A ILE 170.A N MET 166.A O no hydrogen 3.094 N/A VAL 171.A N ALA 167.A O no hydrogen 3.007 N/A SER 172.A OG.A ILE 168.A O no hydrogen 3.233 N/A SER 172.A OG.A CYS 169.A O no hydrogen 2.760 N/A ARG 175.A NH1 GLU 101.A OE1 no hydrogen 3.566 N/A ARG 175.A NH1 GLU 101.A OE2 no hydrogen 2.826 N/A ARG 175.A NH2 GLU 101.A OE1 no hydrogen 2.908 N/A ARG 175.A NH2 CYS 169.A O no hydrogen 3.086 N/A VAL 178.A N ARG 175.A O no hydrogen 3.479 N/A GLN 179.A N ASP 90.A OD1 no hydrogen 2.714 N/A ASP 180.A N ASP 90.A OD2 no hydrogen 2.937 N/A LEU 183.A N ASP 180.A OD1 no hydrogen 3.102 N/A ILE 184.A N ASP 180.A O no hydrogen 3.105 N/A GLU 185.A N ALA 181.A O no hydrogen 2.816 N/A ALA 186.A N ALA 182.A O no hydrogen 2.970 N/A ILE 187.A N LEU 183.A O no hydrogen 3.021 N/A GLN 188.A N ILE 184.A O no hydrogen 2.888 N/A GLN 188.A NE2 ILE 168.A O no hydrogen 3.064 N/A ASP 189.A N GLU 185.A O no hydrogen 2.788 N/A ARG 190.A N ALA 186.A O no hydrogen 3.135 N/A LEU 191.A N ILE 187.A O no hydrogen 3.199 N/A SER 192.A N GLN 188.A O no hydrogen 2.739 N/A SER 192.A OG.A GLN 188.A O no hydrogen 3.020 N/A SER 192.A OG.B TYR 212.A OH no hydrogen 2.479 N/A ASN 193.A N ASP 189.A O no hydrogen 2.825 N/A THR 194.A N ARG 190.A O no hydrogen 3.203 N/A THR 194.A OG1 ARG 190.A O no hydrogen 2.801 N/A LEU 195.A N LEU 191.A O no hydrogen 2.956 N/A GLN 196.A N SER 192.A O no hydrogen 2.842 N/A GLN 196.A NE2 SER 192.A OG.B no hydrogen 3.303 N/A THR 197.A N ASN 193.A O no hydrogen 2.955 N/A THR 197.A OG1 ASN 193.A O no hydrogen 2.758 N/A TYR 198.A N THR 194.A O no hydrogen 2.822 N/A TYR 198.A OH HIS 158.A ND1 no hydrogen 2.734 N/A ILE 199.A N LEU 195.A O no hydrogen 2.929 N/A ARG 200.A N GLN 196.A O no hydrogen 3.150 N/A CYS 201.A N THR 197.A O no hydrogen 3.055 N/A CYS 201.A N TYR 198.A O no hydrogen 3.291 N/A CYS 201.A SG PRO 5.A O no hydrogen 3.961 N/A CYS 201.A SG THR 197.A O no hydrogen 3.329 N/A ARG 202.A N TYR 198.A O no hydrogen 2.749 N/A HIS 203.A N ILE 199.A O no hydrogen 3.197 N/A HIS 203.A ND1 GLU 161.A OE2 no hydrogen 2.506 N/A HIS 209.A N PRO 206.A O no hydrogen 3.039 N/A LEU 211.A N SER 208.A O no hydrogen 3.035 N/A TYR 212.A OH SER 192.A OG.B no hydrogen 2.479 N/A LYS 214.A N LEU 210.A O no hydrogen 3.103 N/A LYS 214.A NZ HIS 209.A O no hydrogen 3.441 N/A MET 215.A N LEU 211.A O no hydrogen 2.905 N/A ILE 216.A N TYR 212.A O no hydrogen 2.930 N/A GLN 217.A N ALA 213.A O no hydrogen 2.976 N/A LYS 218.A N LYS 214.A O no hydrogen 3.067 N/A LYS 218.A NZ ASP 221.A OD2 no hydrogen 3.430 N/A LEU 219.A N MET 215.A O no hydrogen 3.160 N/A ALA 220.A N ILE 216.A O no hydrogen 3.219 N/A ASP 221.A N GLN 217.A O no hydrogen 2.913 N/A LEU 222.A N LYS 218.A O no hydrogen 2.962 N/A ARG 223.A N LEU 219.A O no hydrogen 3.215 N/A ARG 223.A NH2 ASP 174.A OD1 no hydrogen 2.747 N/A SER 224.A N ALA 220.A O no hydrogen 3.266 N/A LEU 225.A N ASP 221.A O no hydrogen 3.004 N/A ASN 226.A N LEU 222.A O no hydrogen 2.873 N/A ASN 226.A ND2 SER 97.A O no hydrogen 2.888 N/A ASN 226.A ND2 GLU 101.A OE2 no hydrogen 2.791 N/A GLU 227.A N ARG 223.A O no hydrogen 3.074 N/A GLU 228.A N SER 224.A O no hydrogen 3.019 N/A HIS 229.A N LEU 225.A O no hydrogen 2.798 N/A SER 230.A N ASN 226.A O no hydrogen 2.881 N/A LYS 231.A N GLU 227.A O no hydrogen 3.075 N/A LYS 231.A NZ.B GLU 228.A OE1 no hydrogen 3.171 N/A GLN 232.A N GLU 228.A O no hydrogen 3.122 N/A GLN 232.A NE2 GLU 228.A OE2 no hydrogen 2.783 N/A TYR 233.A N HIS 229.A O no hydrogen 2.819 N/A ARG 234.A N SER 230.A O no hydrogen 3.024 N/A CYS 235.A N LYS 231.A O no hydrogen 3.451 N/A CYS 235.A SG LYS 231.A O no hydrogen 3.694 N/A LEU 236.A N GLN 232.A O no hydrogen 2.929 N/A SER 237.A N TYR 233.A O no hydrogen 2.866 N/A SER 237.A OG.A ARG 234.A O no hydrogen 2.515 N/A SER 237.A OG.B TYR 233.A O no hydrogen 2.921 N/A PHE 238.A N CYS 235.A O no hydrogen 2.995 N/A GLN 239.A N LEU 236.A O no hydrogen 2.915 N/A CYS 242.A N GLN 239.A O no hydrogen 3.019 N/A CYS 242.A SG.A LEU 236.A O no hydrogen 3.497 N/A CYS 242.A SG.B LEU 236.A O no hydrogen 3.883 N/A CYS 242.A SG.B SER 237.A O no hydrogen 3.265 N/A LYS 245.A N CYS 242.A O no hydrogen 2.849 N/A LEU 246.A N SER 243.A O no hydrogen 3.145 N/A THR 247.A OG1 SER 67.A OG no hydrogen 2.766 N/A VAL 250.A N THR 247.A OG1 no hydrogen 3.054 N/A LEU 251.A N THR 247.A O no hydrogen 2.861 N/A GLU 252.A N PRO 248.A O no hydrogen 3.012 N/A VAL 253.A N LEU 249.A O no hydrogen 2.972 N/A PHE 254.A N VAL 250.A O no hydrogen 3.023 N/A GLY 255.A N LEU 251.A O no hydrogen 2.860 N/A