Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i81_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 7.A N GLU 7.A OE1 no hydrogen 2.863 N/A TRP 8.A N ASP 6.A OD1 no hydrogen 3.358 N/A GLU 9.A N ASP 6.A O no hydrogen 3.289 N/A VAL 10.A N VAL 84.A O no hydrogen 2.965 N/A ARG 12.A NH1 PRO 90.A O no hydrogen 2.717 N/A ARG 12.A NH2 GLN 87.A O no hydrogen 2.886 N/A ARG 12.A NH2 PRO 90.A O no hydrogen 2.974 N/A LYS 14.A N ALA 11.A O no hydrogen 3.292 N/A ILE 15.A N ARG 12.A O no hydrogen 3.020 N/A THR 16.A N VAL 33.A O no hydrogen 3.050 N/A SER 18.A N GLU 31.A O no hydrogen 2.836 N/A ARG 19.A NE GLU 31.A OE1 no hydrogen 3.143 N/A ARG 19.A NH2 GLU 31.A OE2 no hydrogen 3.031 N/A LEU 21.A N VAL 29.A O no hydrogen 2.853 N/A GLY 22.A N VAL 29.A O no hydrogen 3.389 N/A GLN 23.A NE2 GLY 24.A O no hydrogen 3.293 N/A GLY 24.A N GLY 27.A O no hydrogen 2.870 N/A VAL 29.A N GLY 22.A O no hydrogen 2.954 N/A TYR 30.A N ILE 48.A O no hydrogen 2.835 N/A GLU 31.A N ARG 19.A O no hydrogen 2.721 N/A GLY 32.A N VAL 46.A O no hydrogen 2.883 N/A VAL 33.A N THR 16.A O no hydrogen 3.094 N/A ALA 34.A N THR 44.A O no hydrogen 2.916 N/A LYS 35.A N LYS 14.A O no hydrogen 2.951 N/A GLY 36.A N GLU 41.A O no hydrogen 3.057 N/A GLU 41.A N VAL 38.A O no hydrogen 3.131 N/A THR 44.A N ALA 34.A O no hydrogen 3.010 N/A THR 44.A OG1 GLU 41.A OE1 no hydrogen 3.250 N/A ARG 45.A NH2 GLU 31.A OE2 no hydrogen 2.788 N/A VAL 46.A N GLY 32.A O no hydrogen 2.868 N/A ALA 47.A N MET 95.A O no hydrogen 2.945 N/A ILE 48.A N TYR 30.A O no hydrogen 2.570 N/A LYS 49.A N VAL 93.A O no hydrogen 2.994 N/A LYS 49.A NZ ASP 168.A OD2 no hydrogen 2.823 N/A THR 50.A N MET 28.A O no hydrogen 3.206 N/A THR 50.A OG1 MET 28.A O no hydrogen 2.588 N/A ASN 52.A N PHE 26.A O no hydrogen 3.190 N/A ASN 52.A ND2 PHE 26.A O no hydrogen 2.810 N/A ALA 55.A N ASN 52.A O no hydrogen 3.158 N/A SER 56.A OG GLU 59.A OE1 no hydrogen 3.103 N/A ARG 60.A N SER 56.A O no hydrogen 3.143 N/A ARG 60.A NH1 GLU 53.A O no hydrogen 3.288 N/A ARG 60.A NH1 ALA 55.A O no hydrogen 3.175 N/A ILE 61.A N MET 57.A O no hydrogen 3.028 N/A GLU 62.A N ARG 58.A O no hydrogen 2.955 N/A PHE 63.A N GLU 59.A O no hydrogen 3.036 N/A LEU 64.A N ARG 60.A O no hydrogen 3.146 N/A ASN 65.A N ILE 61.A O no hydrogen 3.039 N/A GLU 66.A N GLU 62.A O no hydrogen 3.013 N/A ALA 67.A N PHE 63.A O no hydrogen 3.121 N/A SER 68.A N LEU 64.A O no hydrogen 3.058 N/A SER 68.A OG LEU 64.A O no hydrogen 2.698 N/A MET 70.A N ALA 67.A O no hydrogen 3.137 N/A LYS 71.A N SER 68.A O no hydrogen 3.387 N/A LYS 71.A NZ TYR 3.A OH no hydrogen 2.808 N/A LYS 71.A NZ ASP 6.A OD1 no hydrogen 3.184 N/A LYS 71.A NZ ASP 6.A OD2 no hydrogen 2.839 N/A LYS 71.A NZ SER 68.A OG no hydrogen 3.225 N/A GLU 72.A N VAL 69.A O no hydrogen 3.457 N/A PHE 73.A N MET 70.A O no hydrogen 3.103 N/A ASN 74.A N TYR 140.A OH no hydrogen 2.739 N/A HIS 77.A ND1 ASP 136.A OD2 no hydrogen 2.748 N/A VAL 78.A N CYS 75.A O no hydrogen 3.364 N/A VAL 79.A N ILE 166.A O no hydrogen 2.872 N/A ARG 80.A N GLU 96.A OE1 no hydrogen 3.079 N/A ARG 80.A NH1 ASN 74.A OD1 no hydrogen 2.728 N/A LEU 82.A N ILE 94.A O no hydrogen 2.788 N/A GLY 83.A N ILE 94.A O no hydrogen 3.263 N/A VAL 84.A N TRP 8.A O no hydrogen 3.018 N/A VAL 85.A N LEU 92.A O no hydrogen 2.691 N/A SER 86.A N GLU 9.A OE2 no hydrogen 2.923 N/A SER 86.A OG GLU 9.A OE1 no hydrogen 2.694 N/A SER 86.A OG GLU 9.A OE2 no hydrogen 3.423 N/A GLN 87.A N GLU 9.A OE2 no hydrogen 3.381 N/A LEU 92.A N VAL 85.A O no hydrogen 2.871 N/A VAL 93.A N LYS 49.A O no hydrogen 3.167 N/A ILE 94.A N GLY 83.A O no hydrogen 2.699 N/A MET 95.A N ALA 47.A O no hydrogen 2.771 N/A GLU 96.A N ARG 80.A O no hydrogen 2.886 N/A THR 99.A OG1 GLU 160.A OE2 no hydrogen 2.708 N/A ARG 100.A N VAL 158.A O no hydrogen 3.100 N/A ARG 100.A NE GLU 160.A O no hydrogen 2.984 N/A ARG 100.A NH2 GLU 160.A O no hydrogen 3.321 N/A GLY 101.A N MET 98.A O no hydrogen 3.390 N/A LEU 103.A N CYS 156.A O no hydrogen 2.795 N/A LYS 104.A N ALA 153.A O no hydrogen 3.236 N/A LYS 104.A NZ ASP 179.A OD1 no hydrogen 3.174 N/A LYS 104.A NZ ASP 179.A OD2 no hydrogen 2.756 N/A LYS 104.A NZ GLN 221.A OE1 no hydrogen 2.738 N/A SER 105.A N ASP 102.A OD1 no hydrogen 2.785 N/A SER 105.A OG ASP 102.A OD1 no hydrogen 3.086 N/A SER 105.A OG ASP 102.A OD2 no hydrogen 2.813 N/A SER 105.A OG TYR 176.A OH no hydrogen 2.667 N/A TYR 106.A N ASP 102.A O no hydrogen 2.904 N/A LEU 107.A N LEU 103.A O no hydrogen 2.777 N/A ARG 108.A N LYS 104.A O no hydrogen 3.024 N/A ARG 108.A NE ALA 219.A O no hydrogen 2.824 N/A ARG 108.A NH2 ALA 219.A O no hydrogen 3.075 N/A SER 109.A N SER 105.A O no hydrogen 3.078 N/A SER 109.A N TYR 106.A O no hydrogen 3.250 N/A SER 109.A OG TYR 106.A O no hydrogen 2.621 N/A LEU 110.A N LEU 107.A O no hydrogen 3.284 N/A ARG 111.A N ARG 108.A O no hydrogen 3.382 N/A ARG 111.A NE LEU 218.A O no hydrogen 2.927 N/A ASN 116.A N GLU 114.A O no hydrogen 2.805 N/A ASN 116.A ND2 GLU 114.A O no hydrogen 3.394 N/A MET 127.A N SER 123.A O no hydrogen 2.941 N/A ILE 128.A N LEU 124.A O no hydrogen 2.790 N/A GLN 129.A N SER 125.A O no hydrogen 3.023 N/A GLN 129.A NE2 GLU 133.A OE2 no hydrogen 2.976 N/A MET 130.A N LYS 126.A O no hydrogen 3.255 N/A ALA 131.A N MET 127.A O no hydrogen 2.960 N/A GLY 132.A N ILE 128.A O no hydrogen 2.858 N/A GLU 133.A N GLN 129.A O no hydrogen 3.251 N/A ILE 134.A N MET 130.A O no hydrogen 3.031 N/A ALA 135.A N ALA 131.A O no hydrogen 2.926 N/A ASP 136.A N GLY 132.A O no hydrogen 2.934 N/A GLY 137.A N GLU 133.A O no hydrogen 3.125 N/A MET 138.A N ILE 134.A O no hydrogen 3.010 N/A ALA 139.A N ALA 135.A O no hydrogen 2.826 N/A TYR 140.A N ASP 136.A O no hydrogen 3.044 N/A LEU 141.A N GLY 137.A O no hydrogen 3.154 N/A ASN 142.A N MET 138.A O no hydrogen 2.962 N/A ALA 143.A N ALA 139.A O no hydrogen 3.089 N/A ASN 144.A N TYR 140.A O no hydrogen 3.044 N/A ASN 144.A N LEU 141.A O no hydrogen 3.206 N/A ASN 144.A ND2 TYR 140.A O no hydrogen 2.782 N/A LYS 145.A N ASN 142.A O no hydrogen 3.128 N/A PHE 146.A N LEU 141.A O no hydrogen 2.845 N/A HIS 148.A N ASP 204.A OD2 no hydrogen 2.812 N/A ARG 149.A N ASP 204.A OD1 no hydrogen 3.062 N/A ASP 150.A N HIS 148.A ND1 no hydrogen 3.216 N/A ALA 153.A N GLU 214.A OE1 no hydrogen 3.124 N/A ARG 154.A NE TYR 180.A OH no hydrogen 3.031 N/A ARG 154.A NH2 ASP 150.A OD1 no hydrogen 3.083 N/A ARG 154.A NH2 TYR 180.A OH no hydrogen 3.365 N/A ASN 155.A N ALA 152.A O no hydrogen 3.053 N/A ASN 155.A ND2 ASP 150.A O no hydrogen 2.698 N/A CYS 156.A N ALA 153.A O no hydrogen 3.158 N/A CYS 156.A SG ALA 152.A O no hydrogen 3.376 N/A MET 157.A N LYS 165.A O no hydrogen 2.790 N/A VAL 158.A N GLY 101.A O no hydrogen 2.805 N/A ALA 159.A N THR 163.A O no hydrogen 2.937 N/A PHE 162.A N ALA 159.A O no hydrogen 3.024 N/A THR 163.A N ASP 161.A OD1 no hydrogen 3.353 N/A THR 163.A OG1 ASP 161.A OD1 no hydrogen 2.852 N/A THR 163.A OG1 ASP 161.A OD2 no hydrogen 3.447 N/A VAL 164.A N GLU 133.A OE1 no hydrogen 3.005 N/A LYS 165.A N MET 157.A O no hydrogen 2.879 N/A LYS 165.A NZ HIS 76.A O no hydrogen 3.017 N/A LYS 165.A NZ GLU 96.A OE2 no hydrogen 2.784 N/A ILE 166.A N HIS 77.A O no hydrogen 2.860 N/A GLY 167.A N ASN 155.A O no hydrogen 2.922 N/A THR 172.A OG1 ASN 155.A OD1 no hydrogen 2.685 N/A TYR 176.A OH ASP 102.A OD1 no hydrogen 3.299 N/A TYR 176.A OH SER 105.A OG no hydrogen 2.667 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 3.076 N/A ASP 179.A N TYR 176.A O no hydrogen 3.300 N/A TYR 180.A N GLU 177.A O no hydrogen 3.238 N/A TYR 180.A OH ASP 150.A OD1 no hydrogen 3.276 N/A TYR 180.A OH ASP 150.A OD2 no hydrogen 2.613 N/A TYR 181.A N LEU 184.A O no hydrogen 2.913 N/A TYR 181.A OH GLU 229.A OE2 no hydrogen 2.691 N/A LEU 184.A N TYR 181.A O no hydrogen 3.181 N/A VAL 186.A N LEU 184.A O no hydrogen 3.061 N/A ARG 187.A NE ASN 228.A OD1 no hydrogen 3.305 N/A ARG 187.A NH1 PRO 222.A O no hydrogen 2.909 N/A ARG 187.A NH1 TYR 223.A O no hydrogen 2.979 N/A ARG 187.A NH1 LEU 226.A O no hydrogen 3.074 N/A ARG 187.A NH2 LEU 226.A O no hydrogen 2.920 N/A ARG 187.A NH2 ASN 228.A OD1 no hydrogen 3.230 N/A TRP 188.A N PRO 185.A O no hydrogen 2.987 N/A TRP 188.A NE1 GLU 214.A OE1 no hydrogen 2.782 N/A MET 189.A N VAL 186.A O no hydrogen 3.372 N/A SER 190.A OG SER 193.A OG no hydrogen 2.890 N/A GLU 192.A N GLU 192.A OE1 no hydrogen 2.945 N/A SER 193.A N SER 190.A OG no hydrogen 3.302 N/A SER 193.A OG SER 190.A OG no hydrogen 2.890 N/A SER 193.A OG VAL 198.A O no hydrogen 2.861 N/A LEU 194.A N SER 190.A O no hydrogen 3.218 N/A LYS 195.A N PRO 191.A O no hydrogen 3.203 N/A LYS 195.A N GLU 192.A O no hydrogen 3.223 N/A ASP 196.A N GLU 192.A O no hydrogen 2.941 N/A GLY 197.A N SER 193.A O no hydrogen 3.033 N/A VAL 198.A N ASP 196.A OD1 no hydrogen 3.231 N/A THR 200.A N SER 203.A OG no hydrogen 2.778 N/A SER 203.A N THR 200.A O no hydrogen 3.230 N/A SER 203.A OG THR 200.A O no hydrogen 2.620 N/A ASP 204.A N THR 200.A O no hydrogen 3.200 N/A VAL 205.A N THR 201.A O no hydrogen 3.087 N/A TRP 206.A N TYR 202.A O no hydrogen 3.213 N/A SER 207.A N SER 203.A O no hydrogen 3.162 N/A SER 207.A OG TRP 188.A O no hydrogen 2.649 N/A SER 207.A OG SER 203.A O no hydrogen 3.332 N/A PHE 208.A N ASP 204.A O no hydrogen 2.921 N/A GLY 209.A N VAL 205.A O no hydrogen 3.062 N/A VAL 210.A N TRP 206.A O no hydrogen 3.319 N/A VAL 211.A N SER 207.A O no hydrogen 2.953 N/A LEU 212.A N PHE 208.A O no hydrogen 2.997 N/A TRP 213.A N GLY 209.A O no hydrogen 3.139 N/A TRP 213.A NE1 ASP 242.A O no hydrogen 3.055 N/A GLU 214.A N VAL 210.A O no hydrogen 2.866 N/A ILE 215.A N VAL 211.A O no hydrogen 2.943 N/A ALA 216.A N LEU 212.A O no hydrogen 3.019 N/A THR 217.A N TRP 213.A O no hydrogen 3.001 N/A THR 217.A OG1 TRP 213.A O no hydrogen 2.727 N/A THR 217.A OG1 GLU 214.A O no hydrogen 3.382 N/A ALA 219.A N GLU 214.A O no hydrogen 2.672 N/A GLN 221.A NE2 ASP 179.A OD1 no hydrogen 3.143 N/A LEU 226.A N TYR 223.A O no hydrogen 2.879 N/A SER 227.A N GLN 230.A OE1 no hydrogen 3.111 N/A SER 227.A OG GLN 230.A OE1 no hydrogen 3.385 N/A VAL 231.A N SER 227.A O no hydrogen 2.866 N/A LEU 232.A N ASN 228.A O no hydrogen 3.201 N/A ARG 233.A N GLU 229.A O no hydrogen 3.417 N/A PHE 234.A N GLN 230.A O no hydrogen 2.953 N/A VAL 235.A N VAL 231.A O no hydrogen 3.004 N/A MET 236.A N LEU 232.A O no hydrogen 3.179 N/A GLU 237.A N ARG 233.A O no hydrogen 2.922 N/A GLY 238.A N VAL 235.A O no hydrogen 3.182 N/A GLY 239.A N PHE 234.A O no hydrogen 2.773 N/A LYS 243.A NZ ASP 249.A OD1 no hydrogen 2.816 N/A CYS 247.A N PRO 244.A O no hydrogen 3.217 N/A CYS 247.A SG PRO 248.A O no hydrogen 3.586 N/A LEU 251.A N PRO 248.A O no hydrogen 3.067 N/A PHE 252.A N PRO 248.A O no hydrogen 3.249 N/A GLU 253.A N ASP 249.A O no hydrogen 2.881 N/A LEU 254.A N MET 250.A O no hydrogen 3.433 N/A MET 255.A N LEU 251.A O no hydrogen 3.210 N/A ARG 256.A N PHE 252.A O no hydrogen 2.960 N/A MET 257.A N GLU 253.A O no hydrogen 3.061 N/A CYS 258.A N LEU 254.A O no hydrogen 3.187 N/A CYS 258.A SG LEU 254.A O no hydrogen 3.267 N/A TRP 259.A N MET 255.A O no hydrogen 2.897 N/A TRP 259.A N ARG 256.A O no hydrogen 3.199 N/A TYR 261.A OH MET 236.A O no hydrogen 2.653 N/A LYS 264.A N ASN 262.A OD1 no hydrogen 3.238 N/A MET 265.A N ASN 262.A O no hydrogen 3.044 N/A ARG 266.A N PRO 263.A O no hydrogen 3.417 N/A ARG 266.A NE GLN 260.A O no hydrogen 2.729 N/A ARG 266.A NH1 GLU 192.A OE2 no hydrogen 2.773 N/A ARG 266.A NH1 TYR 202.A O no hydrogen 3.098 N/A ARG 266.A NH2 GLU 192.A OE1 no hydrogen 2.813 N/A ARG 266.A NH2 GLN 260.A O no hydrogen 3.245 N/A GLU 271.A N SER 268.A OG no hydrogen 3.102 N/A ILE 272.A N SER 268.A O no hydrogen 2.988 N/A ILE 273.A N PHE 269.A O no hydrogen 3.120 N/A SER 274.A N LEU 270.A O no hydrogen 3.049 N/A SER 275.A N GLU 271.A O no hydrogen 3.271 N/A SER 275.A OG ILE 272.A O no hydrogen 2.746 N/A ILE 276.A N ILE 273.A O no hydrogen 3.016 N/A LYS 277.A NZ SER 274.A O no hydrogen 2.804 N/A LYS 277.A NZ GLU 278.A OE2 no hydrogen 3.057 N/A GLU 279.A N ILE 276.A O no hydrogen 3.013 N/A MET 280.A N LYS 277.A O no hydrogen 3.371 N/A GLU 281.A N GLN 129.A OE1 no hydrogen 2.826 N/A PHE 284.A N GLU 281.A O no hydrogen 2.966 N/A GLU 286.A N GLY 283.A O no hydrogen 3.040 N/A VAL 287.A N GLY 283.A O no hydrogen 3.290 N/A VAL 287.A N PHE 284.A O no hydrogen 3.314 N/A SER 288.A N PHE 284.A O no hydrogen 2.981 N/A SER 288.A OG PHE 284.A O no hydrogen 2.698 N/A PHE 289.A N ASP 136.A OD2 no hydrogen 2.810 N/A TYR 290.A N ASP 136.A OD1 no hydrogen 2.854 N/A TYR 291.A N SER 288.A OG no hydrogen 3.353 N/A SER 292.A N PHE 289.A O no hydrogen 3.118 N/A SER 292.A OG PHE 289.A O no hydrogen 2.662 N/A ASN 295.A N SER 292.A O no hydrogen 3.364 N/A ASN 295.A ND2 TYR 290.A O no hydrogen 2.825 N/A LYS 296.A NZ GLU 293.A OE2 no hydrogen 3.296 N/A