Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3el8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N ASP 1.A OD1 no hydrogen 2.873 N/A ILE 5.A N VAL 71.A O no hydrogen 3.104 N/A ARG 7.A NH1 PRO 76.A O no hydrogen 3.042 N/A ARG 7.A NH2 PRO 76.A O no hydrogen 3.011 N/A GLU 8.A N GLU 8.A OE2 no hydrogen 2.835 N/A SER 9.A OG PRO 6.A O no hydrogen 2.572 N/A LEU 10.A N ARG 7.A O no hydrogen 3.280 N/A ARG 11.A N THR 28.A O no hydrogen 3.048 N/A LEU 16.A N VAL 24.A O no hydrogen 2.653 N/A GLY 17.A N VAL 24.A O no hydrogen 3.181 N/A GLN 18.A NE2 GLU 23.A OE1 no hydrogen 3.264 N/A GLU 23.A N THR 39.A O no hydrogen 3.135 N/A VAL 24.A N GLY 17.A O no hydrogen 2.987 N/A TRP 25.A N ILE 37.A O no hydrogen 2.668 N/A TRP 25.A NE1 GLU 23.A OE2 no hydrogen 2.855 N/A MET 26.A N VAL 14.A O no hydrogen 2.877 N/A GLY 27.A N VAL 35.A O no hydrogen 2.943 N/A THR 28.A N ARG 11.A O no hydrogen 2.895 N/A THR 28.A OG1 GLU 13.A OE2 no hydrogen 2.699 N/A TRP 29.A N THR 33.A O no hydrogen 2.882 N/A ASN 30.A N SER 9.A O no hydrogen 2.866 N/A THR 32.A N TRP 29.A O no hydrogen 3.239 N/A THR 32.A OG1 TRP 29.A O no hydrogen 3.514 N/A THR 32.A OG1 ASN 30.A O no hydrogen 3.503 N/A THR 33.A OG1 TRP 29.A O no hydrogen 3.107 N/A VAL 35.A N GLY 27.A O no hydrogen 3.031 N/A ALA 36.A N THR 81.A O no hydrogen 2.996 N/A ILE 37.A N TRP 25.A O no hydrogen 2.767 N/A LYS 38.A N ILE 79.A O no hydrogen 2.789 N/A LYS 38.A NZ GLU 53.A OE2 no hydrogen 2.717 N/A THR 39.A N GLU 23.A O no hydrogen 2.749 N/A LYS 41.A N PHE 21.A O no hydrogen 2.816 N/A LYS 41.A NZ GLU 23.A OE1 no hydrogen 2.781 N/A MET 45.A N LYS 41.A O no hydrogen 3.481 N/A ALA 49.A N PRO 47.A O no hydrogen 2.541 N/A GLN 52.A N GLU 48.A O no hydrogen 2.748 N/A GLN 52.A NE2 GLY 149.A O no hydrogen 3.225 N/A ALA 54.A N LEU 51.A O no hydrogen 2.904 N/A GLN 55.A N LEU 51.A O no hydrogen 3.038 N/A VAL 56.A N GLN 52.A O no hydrogen 3.378 N/A LYS 58.A NZ ASP 1.A OD2 no hydrogen 3.173 N/A LYS 58.A NZ GLN 55.A OE1 no hydrogen 2.757 N/A LYS 59.A N VAL 56.A O no hydrogen 3.210 N/A LEU 60.A N VAL 56.A O no hydrogen 3.425 N/A ARG 61.A N TYR 119.A OH no hydrogen 2.775 N/A LYS 64.A N HIS 62.A ND1 no hydrogen 2.834 N/A LYS 64.A NZ GLN 112.A OE1 no hydrogen 2.638 N/A LEU 65.A N HIS 62.A O no hydrogen 3.002 N/A VAL 66.A N VAL 145.A O no hydrogen 2.975 N/A GLN 67.A N GLU 82.A OE1 no hydrogen 2.869 N/A LEU 68.A N GLN 67.A OE1 no hydrogen 3.135 N/A TYR 69.A N VAL 80.A O no hydrogen 2.717 N/A ALA 70.A N VAL 80.A O no hydrogen 3.202 N/A VAL 71.A N TRP 3.A O no hydrogen 3.062 N/A VAL 72.A N TYR 78.A O no hydrogen 2.876 N/A SER 73.A N GLU 4.A OE1 no hydrogen 3.156 N/A SER 73.A OG GLU 4.A OE1 no hydrogen 2.678 N/A TYR 78.A N VAL 72.A O no hydrogen 3.203 N/A ILE 79.A N LYS 38.A O no hydrogen 2.903 N/A VAL 80.A N ALA 70.A O no hydrogen 2.741 N/A THR 81.A N ALA 36.A O no hydrogen 2.988 N/A THR 81.A OG1 GLU 82.A O no hydrogen 3.219 N/A GLU 82.A N GLN 67.A O no hydrogen 2.879 N/A SER 85.A OG GLU 139.A OE1 no hydrogen 2.832 N/A LYS 86.A N VAL 137.A O no hydrogen 2.826 N/A GLY 87.A N MET 84.A O no hydrogen 3.244 N/A LEU 89.A N ILE 135.A O no hydrogen 2.808 N/A LEU 90.A N ALA 132.A O no hydrogen 3.365 N/A ASP 91.A N SER 88.A OG no hydrogen 3.085 N/A PHE 92.A N SER 88.A O no hydrogen 2.912 N/A LEU 93.A N LEU 89.A O no hydrogen 2.788 N/A LYS 94.A N LEU 90.A O no hydrogen 3.135 N/A GLY 95.A N ASP 91.A O no hydrogen 2.849 N/A GLY 98.A N GLY 95.A O no hydrogen 2.816 N/A TYR 100.A N MET 97.A O no hydrogen 3.304 N/A ARG 102.A N GLN 105.A OE1 no hydrogen 2.762 N/A ARG 102.A NH1 LYS 99.A O no hydrogen 2.946 N/A ARG 102.A NH1 LEU 101.A O no hydrogen 2.725 N/A ARG 102.A NH2 LYS 99.A O no hydrogen 3.268 N/A LEU 103.A N LEU 263.A O no hydrogen 2.801 N/A GLN 105.A N ARG 102.A O no hydrogen 3.058 N/A LEU 106.A N ARG 102.A O no hydrogen 3.043 N/A VAL 107.A N LEU 103.A O no hydrogen 2.799 N/A ASP 108.A N PRO 104.A O no hydrogen 3.215 N/A MET 109.A N GLN 105.A O no hydrogen 2.981 N/A ALA 110.A N LEU 106.A O no hydrogen 3.026 N/A ALA 111.A N VAL 107.A O no hydrogen 2.929 N/A GLN 112.A N ASP 108.A O no hydrogen 3.219 N/A GLN 112.A NE2 ASP 108.A OD2 no hydrogen 3.026 N/A GLN 112.A NE2 LEU 141.A O no hydrogen 2.963 N/A ILE 113.A N MET 109.A O no hydrogen 3.140 N/A ALA 114.A N ALA 110.A O no hydrogen 2.934 N/A SER 115.A N ALA 111.A O no hydrogen 2.854 N/A GLY 116.A N GLN 112.A O no hydrogen 2.899 N/A MET 117.A N ILE 113.A O no hydrogen 2.911 N/A ALA 118.A N ALA 114.A O no hydrogen 2.759 N/A ALA 118.A N SER 115.A O no hydrogen 3.163 N/A TYR 119.A N SER 115.A O no hydrogen 3.217 N/A VAL 120.A N GLY 116.A O no hydrogen 3.235 N/A GLU 121.A N MET 117.A O no hydrogen 2.795 N/A ARG 122.A N ALA 118.A O no hydrogen 2.876 N/A MET 123.A N TYR 119.A O no hydrogen 2.977 N/A ASN 124.A N GLU 121.A O no hydrogen 3.138 N/A TYR 125.A N VAL 120.A O no hydrogen 2.944 N/A VAL 126.A N ARG 152.A O no hydrogen 3.224 N/A HIS 127.A N ASP 174.A OD2 no hydrogen 2.707 N/A ARG 128.A N ASP 174.A OD1 no hydrogen 3.059 N/A ALA 132.A N GLU 184.A OE1 no hydrogen 2.972 N/A ASN 134.A N ARG 131.A O no hydrogen 2.755 N/A ASN 134.A ND2 ASP 129.A O no hydrogen 2.701 N/A ILE 135.A N ALA 132.A O no hydrogen 3.200 N/A LEU 136.A N LYS 144.A O no hydrogen 2.879 N/A VAL 137.A N GLY 87.A O no hydrogen 2.938 N/A GLY 138.A N VAL 142.A O no hydrogen 2.772 N/A CYS 143.A N GLN 112.A OE1 no hydrogen 2.961 N/A LYS 144.A N LEU 136.A O no hydrogen 2.860 N/A LYS 144.A NZ GLU 82.A OE2 no hydrogen 3.214 N/A VAL 145.A N LYS 64.A O no hydrogen 2.834 N/A ALA 146.A N ASN 134.A O no hydrogen 3.045 N/A GLY 149.A N ASP 147.A OD2 no hydrogen 2.744 N/A LEU 150.A N ASP 147.A OD2 no hydrogen 3.269 N/A ARG 152.A N VAL 126.A O no hydrogen 3.344 N/A LYS 157.A NZ MET 196.A O no hydrogen 3.145 N/A TRP 158.A N PRO 155.A O no hydrogen 3.005 N/A TRP 158.A NE1 GLU 184.A OE1 no hydrogen 2.951 N/A THR 159.A N ILE 156.A O no hydrogen 3.357 N/A THR 159.A OG1 PRO 155.A O no hydrogen 2.759 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 2.783 N/A ALA 163.A N ALA 160.A O no hydrogen 3.045 N/A ALA 164.A N ALA 160.A O no hydrogen 3.073 N/A LEU 165.A N PRO 161.A O no hydrogen 2.936 N/A TYR 166.A N GLU 162.A O no hydrogen 3.346 N/A ARG 168.A N GLU 162.A O no hydrogen 3.106 N/A PHE 169.A N GLY 167.A O no hydrogen 3.175 N/A THR 170.A N SER 173.A OG no hydrogen 2.753 N/A LYS 172.A N THR 170.A OG1 no hydrogen 3.284 N/A LYS 172.A NZ ARG 236.A O no hydrogen 2.785 N/A SER 173.A N THR 170.A O no hydrogen 2.768 N/A SER 173.A OG ARG 168.A O no hydrogen 3.120 N/A ASP 174.A N THR 170.A O no hydrogen 3.225 N/A VAL 175.A N ILE 171.A O no hydrogen 3.158 N/A TRP 176.A N LYS 172.A O no hydrogen 3.292 N/A SER 177.A N SER 173.A O no hydrogen 3.282 N/A SER 177.A OG TRP 158.A O no hydrogen 2.596 N/A SER 177.A OG SER 173.A O no hydrogen 3.498 N/A PHE 178.A N ASP 174.A O no hydrogen 2.824 N/A GLY 179.A N VAL 175.A O no hydrogen 3.170 N/A GLY 179.A N TRP 176.A O no hydrogen 3.051 N/A ILE 180.A N TRP 176.A O no hydrogen 3.256 N/A LEU 181.A N SER 177.A O no hydrogen 2.693 N/A LEU 182.A N PHE 178.A O no hydrogen 2.876 N/A THR 183.A N GLY 179.A O no hydrogen 3.394 N/A THR 183.A N ILE 180.A O no hydrogen 2.996 N/A THR 183.A OG1 ILE 180.A O no hydrogen 2.687 N/A GLU 184.A N ILE 180.A O no hydrogen 3.111 N/A LEU 185.A N LEU 181.A O no hydrogen 2.961 N/A THR 186.A N LEU 182.A O no hydrogen 3.067 N/A THR 186.A OG1 LEU 182.A O no hydrogen 3.269 N/A THR 186.A OG1 THR 183.A O no hydrogen 3.369 N/A THR 187.A N THR 183.A O no hydrogen 3.055 N/A THR 187.A OG1 THR 183.A O no hydrogen 2.875 N/A LYS 188.A NZ GLY 98.A O no hydrogen 2.960 N/A LYS 188.A NZ LEU 101.A O no hydrogen 3.035 N/A LYS 188.A NZ ASN 262.A O no hydrogen 3.259 N/A GLY 189.A N GLU 184.A O no hydrogen 2.648 N/A ARG 190.A N THR 187.A OG1 no hydrogen 3.234 N/A MET 196.A N TYR 193.A O no hydrogen 3.098 N/A VAL 197.A N GLU 200.A OE2 no hydrogen 3.162 N/A GLU 200.A N VAL 197.A O no hydrogen 3.127 N/A VAL 201.A N VAL 197.A O no hydrogen 3.136 N/A LEU 202.A N ASN 198.A O no hydrogen 3.007 N/A ASP 203.A N ARG 199.A O no hydrogen 3.382 N/A GLN 204.A N GLU 200.A O no hydrogen 2.835 N/A VAL 205.A N VAL 201.A O no hydrogen 2.900 N/A GLU 206.A N LEU 202.A O no hydrogen 3.225 N/A ARG 207.A N ASP 203.A O no hydrogen 3.034 N/A GLY 208.A N VAL 205.A O no hydrogen 2.927 N/A TYR 209.A N GLN 204.A O no hydrogen 2.934 N/A ARG 210.A NE TRP 229.A O no hydrogen 2.800 N/A ARG 210.A NH1 VAL 205.A O no hydrogen 3.169 N/A ARG 210.A NH1 TYR 209.A O no hydrogen 2.644 N/A ARG 210.A NH2 TRP 229.A O no hydrogen 2.764 N/A CYS 213.A SG PRO 214.A O no hydrogen 3.671 N/A CYS 213.A SG CYS 217.A O no hydrogen 2.880 N/A CYS 213.A SG PRO 218.A O no hydrogen 3.986 N/A CYS 217.A N PRO 214.A O no hydrogen 3.126 N/A CYS 217.A SG PRO 218.A O no hydrogen 3.576 N/A SER 220.A OG TYR 249.A OH no hydrogen 2.649 N/A SER 220.A OG GLU 254.A OE1 no hydrogen 2.488 N/A LEU 221.A N PRO 218.A O no hydrogen 3.143 N/A HIS 222.A N PRO 218.A O no hydrogen 3.253 N/A HIS 222.A NE2 MET 211.A O no hydrogen 3.024 N/A ASP 223.A N GLU 219.A O no hydrogen 2.846 N/A MET 225.A N LEU 221.A O no hydrogen 3.096 N/A CYS 226.A N HIS 222.A O no hydrogen 2.975 N/A CYS 226.A SG HIS 222.A O no hydrogen 3.474 N/A GLN 227.A N ASP 223.A O no hydrogen 3.062 N/A CYS 228.A N LEU 224.A O no hydrogen 3.284 N/A CYS 228.A SG LEU 224.A O no hydrogen 3.462 N/A TRP 229.A N MET 225.A O no hydrogen 3.096 N/A TRP 229.A N CYS 226.A O no hydrogen 3.237 N/A ARG 230.A N GLN 227.A O no hydrogen 3.320 N/A ARG 230.A NE GLU 235.A O no hydrogen 3.474 N/A LYS 231.A NZ GLU 206.A OE2 no hydrogen 2.682 N/A GLU 234.A N ASP 232.A OD1 no hydrogen 3.037 N/A GLU 235.A N ASP 232.A O no hydrogen 2.788 N/A ARG 236.A NE ARG 230.A O no hydrogen 2.935 N/A ARG 236.A NH1 GLU 162.A OE1 no hydrogen 2.958 N/A ARG 236.A NH1 GLU 162.A OE2 no hydrogen 3.458 N/A ARG 236.A NH1 ARG 230.A O no hydrogen 3.148 N/A ARG 236.A NH2 GLU 162.A OE2 no hydrogen 2.790 N/A ARG 236.A NH2 LYS 172.A O no hydrogen 2.836 N/A PHE 239.A N GLU 121.A OE2 no hydrogen 2.890 N/A GLU 240.A N GLU 121.A OE1 no hydrogen 3.354 N/A TYR 241.A N THR 238.A OG1 no hydrogen 3.157 N/A LEU 242.A N THR 238.A O no hydrogen 3.006 N/A GLN 243.A N PHE 239.A O no hydrogen 2.771 N/A GLN 243.A NE2 GLU 247.A OE2 no hydrogen 2.974 N/A ALA 244.A N GLU 240.A O no hydrogen 3.301 N/A PHE 245.A N TYR 241.A O no hydrogen 2.858 N/A LEU 246.A N LEU 242.A O no hydrogen 3.007 N/A GLU 247.A N GLN 243.A O no hydrogen 2.963 N/A ASP 248.A N ALA 244.A O no hydrogen 3.089 N/A TYR 249.A N LEU 246.A O no hydrogen 3.263 N/A TYR 249.A OH SER 220.A OG no hydrogen 2.649 N/A THR 251.A N ASP 248.A O no hydrogen 3.054 N/A SER 252.A N ASP 248.A O no hydrogen 3.063 N/A THR 253.A N TYR 249.A O no hydrogen 3.024 N/A GLU 254.A N TYR 249.A O no hydrogen 2.973 N/A TYR 257.A N GLU 254.A O no hydrogen 3.344 N/A TYR 257.A OH LEU 263.A O no hydrogen 2.576 N/A GLY 260.A N LEU 263.A OXT no hydrogen 2.966 N/A ASN 262.A N GLU 216.A OE1 no hydrogen 3.067 N/A LEU 263.A N GLU 216.A OE1 no hydrogen 3.488 N/A