Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bnx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 7.A OG GLU 250.A OE1 no hydrogen 2.736 N/A PHE 9.A N SER 7.A OG no hydrogen 3.066 N/A CYS 13.A SG HIS 14.A O no hydrogen 4.002 N/A HIS 14.A N CYS 53.A O no hydrogen 2.907 N/A HIS 14.A NE2 ALA 59.A O no hydrogen 2.980 N/A LEU 16.A N HIS 14.A ND1 no hydrogen 3.229 N/A VAL 17.A N HIS 14.A O no hydrogen 3.002 N/A GLU 19.A N GLU 19.A OE2 no hydrogen 2.568 N/A VAL 20.A N LEU 16.A O no hydrogen 2.889 N/A SER 21.A N VAL 17.A O no hydrogen 2.815 N/A SER 21.A OG ASP 25.A OD2 no hydrogen 3.397 N/A LYS 22.A N GLU 18.A O no hydrogen 3.040 N/A GLU 23.A N GLU 19.A O no hydrogen 2.809 N/A VAL 24.A N VAL 20.A O no hydrogen 2.764 N/A ASP 25.A N SER 21.A O no hydrogen 2.723 N/A GLY 26.A N LYS 22.A O no hydrogen 2.989 N/A TYR 27.A N GLU 23.A O no hydrogen 3.448 N/A PHE 28.A N VAL 24.A O no hydrogen 3.335 N/A LEU 29.A N ASP 25.A O no hydrogen 2.863 N/A GLN 30.A N GLY 26.A O no hydrogen 2.985 N/A GLN 30.A N TYR 27.A O no hydrogen 3.123 N/A GLN 30.A NE2 HIS 31.A NE2 no hydrogen 2.730 N/A HIS 31.A N TYR 27.A O no hydrogen 2.997 N/A HIS 31.A ND1 TYR 114.A OH no hydrogen 2.428 N/A TRP 32.A N PHE 28.A O no hydrogen 2.663 N/A PHE 34.A N TRP 32.A O no hydrogen 3.115 N/A ARG 40.A NH1 PHE 34.A O no hydrogen 2.656 N/A ARG 40.A NH1 ASN 36.A O no hydrogen 3.500 N/A ARG 40.A NH2 PHE 34.A O no hydrogen 3.491 N/A LYS 42.A N LYS 38.A O no hydrogen 3.125 N/A PHE 43.A N ALA 39.A O no hydrogen 2.545 N/A VAL 44.A N ARG 40.A O no hydrogen 3.021 N/A ALA 45.A N LYS 41.A O no hydrogen 2.884 N/A ALA 46.A N LYS 42.A O no hydrogen 2.753 N/A GLY 47.A N PHE 43.A O no hydrogen 3.233 N/A GLY 47.A N VAL 44.A O no hydrogen 3.042 N/A ARG 50.A N GLY 47.A O no hydrogen 3.134 N/A ARG 50.A NH1 GLU 18.A OE1 no hydrogen 3.359 N/A ARG 50.A NH1 GLU 18.A OE2 no hydrogen 3.221 N/A ARG 50.A NH2 GLU 18.A OE2 no hydrogen 2.686 N/A VAL 51.A N GLY 47.A O no hydrogen 3.275 N/A THR 52.A N PHE 48.A O no hydrogen 3.130 N/A THR 52.A OG1 PHE 48.A O no hydrogen 2.861 N/A CYS 53.A N SER 49.A O no hydrogen 3.110 N/A CYS 53.A SG SER 49.A O no hydrogen 3.123 N/A LEU 54.A N ARG 50.A O no hydrogen 3.106 N/A LEU 54.A N VAL 51.A O no hydrogen 3.081 N/A TYR 55.A N VAL 51.A O no hydrogen 3.118 N/A PHE 56.A N THR 52.A O no hydrogen 2.801 N/A ALA 59.A N PHE 56.A O no hydrogen 3.212 N/A LEU 60.A N SER 179.A O no hydrogen 2.868 N/A ARG 63.A N LEU 60.A O no hydrogen 3.031 N/A ARG 63.A NH1 PHE 178.A O no hydrogen 2.742 N/A ARG 63.A NH2 ASP 127.A OD2 no hydrogen 2.770 N/A ILE 64.A N LEU 60.A O no hydrogen 2.817 N/A PHE 66.A N ARG 63.A O no hydrogen 2.649 N/A ALA 67.A N ARG 63.A O no hydrogen 3.437 N/A CYS 68.A N ILE 64.A O no hydrogen 3.172 N/A CYS 68.A SG SER 49.A O no hydrogen 3.616 N/A CYS 68.A SG ILE 64.A O no hydrogen 3.368 N/A ARG 69.A N HIS 65.A O no hydrogen 2.976 N/A LEU 70.A N PHE 66.A O no hydrogen 3.099 N/A LEU 71.A N ALA 67.A O no hydrogen 2.962 N/A THR 72.A N CYS 68.A O no hydrogen 2.994 N/A THR 72.A OG1 CYS 68.A O no hydrogen 2.581 N/A VAL 73.A N ARG 69.A O no hydrogen 3.173 N/A LEU 74.A N LEU 70.A O no hydrogen 3.069 N/A PHE 75.A N LEU 71.A O no hydrogen 2.835 N/A LEU 76.A N THR 72.A O no hydrogen 2.997 N/A ILE 77.A N VAL 73.A O no hydrogen 2.902 N/A ASP 78.A N LEU 74.A O no hydrogen 2.973 N/A ASP 79.A N PHE 75.A O no hydrogen 3.107 N/A LEU 80.A N LEU 76.A O no hydrogen 3.144 N/A LEU 81.A N ILE 77.A O no hydrogen 2.795 N/A GLU 82.A N ASP 79.A O no hydrogen 2.895 N/A TYR 83.A N LEU 80.A O no hydrogen 2.863 N/A MET 84.A N LEU 81.A O no hydrogen 3.263 N/A SER 85.A N GLU 88.A OE1 no hydrogen 3.436 N/A SER 85.A OG GLU 87.A OE1 no hydrogen 3.313 N/A GLU 87.A N GLU 87.A OE1 no hydrogen 2.497 N/A GLU 88.A N SER 85.A OG no hydrogen 3.152 N/A GLY 89.A N SER 85.A O no hydrogen 2.822 N/A SER 90.A N PHE 86.A O no hydrogen 3.010 N/A ALA 91.A N GLU 87.A O no hydrogen 3.199 N/A TYR 92.A N GLU 88.A O no hydrogen 2.861 N/A ASN 93.A N GLY 89.A O no hydrogen 3.062 N/A GLU 94.A N SER 90.A O no hydrogen 2.942 N/A LYS 95.A N ALA 91.A O no hydrogen 3.044 N/A LYS 95.A N TYR 92.A O no hydrogen 3.157 N/A LEU 96.A N ASN 93.A O no hydrogen 2.918 N/A ILE 97.A N GLU 94.A O no hydrogen 3.415 N/A SER 100.A N LEU 96.A O no hydrogen 2.925 N/A SER 100.A OG LEU 96.A O no hydrogen 2.851 N/A ARG 101.A N ILE 97.A O no hydrogen 3.000 N/A GLY 102.A N ILE 99.A O no hydrogen 3.188 N/A ASP 103.A N PRO 98.A O no hydrogen 2.974 N/A VAL 104.A N PRO 98.A O no hydrogen 3.380 N/A ASP 107.A N GLU 113.A OE1 no hydrogen 2.988 N/A ARG 108.A NH1 ASP 118.A OD2 no hydrogen 3.457 N/A ARG 108.A NH2 ASP 118.A OD1 no hydrogen 2.574 N/A ARG 108.A NH2 ASP 118.A OD2 no hydrogen 3.357 N/A SER 109.A N ASP 107.A OD2 no hydrogen 2.920 N/A SER 109.A OG ASP 107.A OD2 no hydrogen 2.484 N/A ILE 110.A N ASP 107.A O no hydrogen 3.037 N/A TYR 114.A N ILE 110.A O no hydrogen 3.162 N/A TYR 114.A OH HIS 31.A ND1 no hydrogen 2.428 N/A ILE 115.A N PRO 111.A O no hydrogen 2.748 N/A ILE 116.A N VAL 112.A O no hydrogen 3.242 N/A TYR 117.A N GLU 113.A O no hydrogen 3.285 N/A ASP 118.A N TYR 114.A O no hydrogen 2.922 N/A LEU 119.A N ILE 115.A O no hydrogen 3.085 N/A TRP 120.A N ILE 116.A O no hydrogen 3.207 N/A GLU 121.A N TYR 117.A O no hydrogen 3.018 N/A SER 122.A N ASP 118.A O no hydrogen 2.941 N/A SER 122.A OG ASP 118.A O no hydrogen 3.498 N/A SER 122.A OG LEU 119.A O no hydrogen 2.480 N/A MET 123.A N LEU 119.A O no hydrogen 2.957 N/A ARG 124.A N TRP 120.A O no hydrogen 2.731 N/A ARG 124.A NH1 SER 100.A O no hydrogen 3.032 N/A ARG 124.A NH2 SER 100.A O no hydrogen 3.482 N/A ARG 124.A NH2 GLU 121.A OE2 no hydrogen 2.975 N/A ALA 125.A N GLU 121.A O no hydrogen 3.243 N/A ALA 125.A N SER 122.A O no hydrogen 3.177 N/A HIS 126.A N SER 122.A O no hydrogen 3.208 N/A ASP 127.A N MET 123.A O no hydrogen 3.076 N/A MET 130.A N ASP 127.A OD1 no hydrogen 2.892 N/A ALA 131.A N ASP 127.A O no hydrogen 2.800 N/A ASP 132.A N ARG 128.A O no hydrogen 3.076 N/A GLU 133.A N GLU 129.A O no hydrogen 3.247 N/A ILE 134.A N ALA 131.A O no hydrogen 3.192 N/A LEU 135.A N ASP 132.A O no hydrogen 3.258 N/A VAL 138.A N ILE 134.A O no hydrogen 3.379 N/A PHE 139.A N LEU 135.A O no hydrogen 3.014 N/A LEU 140.A N GLU 136.A O no hydrogen 2.808 N/A PHE 141.A N PRO 137.A O no hydrogen 3.326 N/A MET 142.A N VAL 138.A O no hydrogen 2.892 N/A ARG 143.A N PHE 139.A O no hydrogen 3.010 N/A ARG 143.A NE GLU 94.A OE1 no hydrogen 3.339 N/A ARG 143.A NH2 GLU 94.A OE2 no hydrogen 3.200 N/A ALA 144.A N LEU 140.A O no hydrogen 3.165 N/A ALA 144.A N PHE 141.A O no hydrogen 3.056 N/A GLN 145.A N PHE 141.A O no hydrogen 3.127 N/A GLN 145.A N MET 142.A O no hydrogen 3.246 N/A THR 146.A OG1 ARG 143.A O no hydrogen 3.366 N/A LEU 156.A N GLU 230.A OE2 no hydrogen 3.018 N/A TYR 159.A N GLY 155.A O no hydrogen 3.032 N/A TYR 159.A OH ASP 208.A OD2 no hydrogen 2.632 N/A LEU 160.A N LEU 156.A O no hydrogen 2.764 N/A GLU 161.A N GLY 157.A O no hydrogen 2.944 N/A TYR 162.A N GLY 158.A O no hydrogen 3.089 N/A ARG 163.A N TYR 159.A O no hydrogen 2.996 N/A GLU 164.A N LEU 160.A O no hydrogen 2.983 N/A GLU 164.A N GLU 161.A O no hydrogen 3.183 N/A ARG 165.A N TYR 162.A O no hydrogen 3.107 N/A ARG 165.A NH1 GLU 161.A OE1 no hydrogen 3.247 N/A ASP 166.A N ARG 163.A O no hydrogen 2.979 N/A LYS 169.A N ASP 166.A OD2 no hydrogen 2.915 N/A GLU 170.A N ASP 166.A O no hydrogen 2.916 N/A LEU 171.A N VAL 167.A O no hydrogen 2.825 N/A LEU 172.A N GLY 168.A O no hydrogen 2.942 N/A ALA 173.A N LYS 169.A O no hydrogen 3.006 N/A ALA 174.A N GLU 170.A O no hydrogen 3.022 N/A LEU 175.A N LEU 171.A O no hydrogen 2.844 N/A MET 176.A N LEU 172.A O no hydrogen 2.898 N/A ARG 177.A N ALA 173.A O no hydrogen 2.988 N/A PHE 178.A N ALA 174.A O no hydrogen 3.021 N/A SER 179.A N LEU 175.A O no hydrogen 2.824 N/A SER 179.A OG LEU 175.A O no hydrogen 2.928 N/A MET 180.A N MET 176.A O no hydrogen 2.876 N/A MET 180.A N ARG 177.A O no hydrogen 3.159 N/A GLY 181.A N PHE 178.A O no hydrogen 3.363 N/A LEU 182.A N ARG 177.A O no hydrogen 2.976 N/A SER 185.A N GLU 188.A OE2 no hydrogen 2.794 N/A SER 185.A OG GLU 188.A OE2 no hydrogen 3.158 N/A GLU 188.A N SER 185.A OG no hydrogen 3.199 N/A LEU 189.A N SER 185.A O no hydrogen 2.985 N/A GLN 190.A N PRO 186.A O no hydrogen 2.688 N/A ARG 191.A N SER 187.A O no hydrogen 2.954 N/A ARG 191.A NE SER 187.A O no hydrogen 3.467 N/A ARG 191.A NH1 LEU 265.A O no hydrogen 2.658 N/A ARG 191.A NH2 SER 187.A OG no hydrogen 2.806 N/A VAL 192.A N GLU 188.A O no hydrogen 3.244 N/A VAL 192.A N LEU 189.A O no hydrogen 3.025 N/A ASP 196.A N VAL 192.A O no hydrogen 3.088 N/A ALA 197.A N ARG 193.A O no hydrogen 3.204 N/A ASN 198.A N GLU 194.A O no hydrogen 2.935 N/A ASN 198.A ND2 TRP 249.A O no hydrogen 2.838 N/A CYS 199.A N ILE 195.A O no hydrogen 3.031 N/A SER 200.A N ASP 196.A O no hydrogen 2.839 N/A SER 200.A OG ARG 163.A O no hydrogen 2.820 N/A SER 200.A OG GLU 164.A O no hydrogen 3.410 N/A LYS 201.A N ALA 197.A O no hydrogen 3.136 N/A LYS 201.A NZ GLU 164.A OE1 no hydrogen 3.106 N/A HIS 202.A N ASN 198.A O no hydrogen 3.128 N/A HIS 202.A NE2 GLU 250.A OE2 no hydrogen 2.874 N/A LEU 203.A N CYS 199.A O no hydrogen 2.972 N/A SER 204.A N SER 200.A O no hydrogen 3.125 N/A SER 204.A OG SER 200.A O no hydrogen 3.378 N/A VAL 205.A N LYS 201.A O no hydrogen 2.904 N/A VAL 206.A N HIS 202.A O no hydrogen 3.027 N/A ASN 207.A N LEU 203.A O no hydrogen 3.023 N/A ASP 208.A N SER 204.A O no hydrogen 2.852 N/A ILE 209.A N VAL 205.A O no hydrogen 2.812 N/A TYR 210.A N VAL 206.A O no hydrogen 3.410 N/A TYR 210.A N ASN 207.A O no hydrogen 3.218 N/A SER 211.A N ASN 207.A O no hydrogen 2.889 N/A SER 211.A N ASP 208.A O no hydrogen 3.297 N/A SER 211.A OG ASN 207.A O no hydrogen 2.967 N/A SER 211.A OG GLU 215.A OE2 no hydrogen 2.719 N/A GLU 213.A N GLU 213.A OE1 no hydrogen 2.604 N/A LYS 214.A NZ SER 295.A O no hydrogen 3.179 N/A GLU 215.A N SER 211.A O no hydrogen 2.737 N/A LEU 216.A N TYR 212.A O no hydrogen 3.052 N/A LEU 216.A N GLU 213.A O no hydrogen 2.985 N/A SER 223.A N ASP 208.A OD2 no hydrogen 2.923 N/A SER 223.A OG ASP 208.A OD2 no hydrogen 2.747 N/A VAL 224.A N THR 222.A OG1 no hydrogen 3.267 N/A ILE 226.A N THR 222.A O no hydrogen 3.130 N/A LEU 227.A N SER 223.A O no hydrogen 2.932 N/A ALA 228.A N VAL 224.A O no hydrogen 3.148 N/A GLN 229.A N GLN 225.A O no hydrogen 2.956 N/A GLU 230.A N ILE 226.A O no hydrogen 2.919 N/A ALA 231.A N LEU 227.A O no hydrogen 2.881 N/A VAL 233.A N ALA 228.A O no hydrogen 2.888 N/A ALA 237.A N THR 234.A OG1 no hydrogen 2.922 N/A ALA 238.A N THR 234.A O no hydrogen 2.935 N/A LYS 239.A N ALA 235.A O no hydrogen 2.910 N/A LYS 239.A NZ GLU 213.A OE1 no hydrogen 3.269 N/A LYS 239.A NZ GLU 236.A OE2 no hydrogen 2.725 N/A ARG 240.A N GLU 236.A O no hydrogen 3.294 N/A VAL 241.A N ALA 237.A O no hydrogen 3.018 N/A LEU 242.A N ALA 238.A O no hydrogen 2.759 N/A PHE 243.A N LYS 239.A O no hydrogen 2.795 N/A VAL 244.A N ARG 240.A O no hydrogen 3.289 N/A MET 245.A N VAL 241.A O no hydrogen 3.024 N/A CYS 246.A N LEU 242.A O no hydrogen 2.872 N/A CYS 246.A SG LEU 242.A O no hydrogen 3.420 N/A ARG 247.A N PHE 243.A O no hydrogen 3.102 N/A ARG 247.A NE PRO 5.A O no hydrogen 2.940 N/A ARG 247.A NE PRO 6.A O no hydrogen 3.111 N/A ARG 247.A NH1 GLU 250.A OE2 no hydrogen 3.010 N/A ARG 247.A NH1 GLU 285.A OE1 no hydrogen 2.932 N/A ARG 247.A NH2 PRO 5.A O no hydrogen 2.721 N/A ARG 247.A NH2 GLU 285.A OE2 no hydrogen 3.132 N/A GLU 248.A N VAL 244.A O no hydrogen 2.988 N/A TRP 249.A N MET 245.A O no hydrogen 3.017 N/A GLU 250.A N CYS 246.A O no hydrogen 3.111 N/A GLU 250.A N ARG 247.A O no hydrogen 3.080 N/A LEU 251.A N ARG 247.A O no hydrogen 3.038 N/A ARG 252.A N GLU 248.A O no hydrogen 2.720 N/A ARG 252.A NH2 GLU 194.A OE1 no hydrogen 3.089 N/A HIS 253.A N TRP 249.A O no hydrogen 2.902 N/A GLN 254.A N GLU 250.A O no hydrogen 3.167 N/A LEU 255.A N LEU 251.A O no hydrogen 2.880 N/A LEU 256.A N ARG 252.A O no hydrogen 2.762 N/A VAL 257.A N HIS 253.A O no hydrogen 2.888 N/A ALA 258.A N GLN 254.A O no hydrogen 2.888 N/A ARG 259.A N LEU 255.A O no hydrogen 2.955 N/A ARG 259.A NE GLU 263.A OE2 no hydrogen 3.247 N/A LEU 260.A N LEU 256.A O no hydrogen 2.898 N/A SER 261.A N VAL 257.A O no hydrogen 2.920 N/A SER 261.A OG VAL 257.A O no hydrogen 3.370 N/A SER 261.A OG GLU 266.A OE1 no hydrogen 2.855 N/A ALA 262.A N ALA 258.A O no hydrogen 2.829 N/A GLU 263.A N ARG 259.A O no hydrogen 2.948 N/A GLY 264.A N SER 261.A O no hydrogen 2.746 N/A LEU 265.A N LEU 260.A O no hydrogen 3.083 N/A THR 267.A OG1 GLU 188.A OE1 no hydrogen 2.568 N/A LEU 270.A N THR 267.A OG1 no hydrogen 3.131 N/A ALA 271.A N THR 267.A O no hydrogen 2.860 N/A ALA 272.A N PRO 268.A O no hydrogen 3.140 N/A TYR 273.A N GLY 269.A O no hydrogen 2.928 N/A TYR 273.A OH ASP 196.A OD1 no hydrogen 2.811 N/A VAL 274.A N LEU 270.A O no hydrogen 2.889 N/A GLU 275.A N ALA 271.A O no hydrogen 3.263 N/A GLY 276.A N ALA 272.A O no hydrogen 2.964 N/A LEU 277.A N TYR 273.A O no hydrogen 2.974 N/A LEU 277.A N VAL 274.A O no hydrogen 3.194 N/A GLU 278.A N VAL 274.A O no hydrogen 3.183 N/A TYR 279.A N GLU 275.A O no hydrogen 3.248 N/A GLN 280.A N GLY 276.A O no hydrogen 3.126 N/A MET 281.A N LEU 277.A O no hydrogen 3.011 N/A SER 282.A N GLU 278.A O no hydrogen 3.071 N/A SER 282.A OG GLN 10.A O no hydrogen 2.931 N/A SER 282.A OG GLU 278.A O no hydrogen 3.535 N/A SER 282.A OG TYR 279.A O no hydrogen 3.239 N/A GLY 283.A N TYR 279.A O no hydrogen 2.865 N/A ASN 284.A N GLN 280.A O no hydrogen 2.835 N/A ASN 284.A ND2 TYR 55.A OH no hydrogen 2.581 N/A ASN 284.A ND2 ASN 207.A OD1 no hydrogen 3.020 N/A GLU 285.A N MET 281.A O no hydrogen 3.094 N/A GLU 285.A N SER 282.A O no hydrogen 3.251 N/A LEU 286.A N SER 282.A O no hydrogen 3.251 N/A TRP 287.A N GLY 283.A O no hydrogen 3.074 N/A SER 288.A N ASN 284.A O no hydrogen 2.896 N/A SER 288.A OG ASN 284.A O no hydrogen 2.833 N/A GLN 289.A N GLU 285.A O no hydrogen 3.091 N/A GLN 289.A NE2 TYR 210.A OH no hydrogen 3.175 N/A THR 290.A N TRP 287.A O no hydrogen 3.107 N/A THR 290.A OG1 LEU 286.A O no hydrogen 2.927 N/A THR 290.A OG1 TRP 287.A O no hydrogen 3.395 N/A THR 291.A N TRP 287.A O no hydrogen 2.747 N/A ARG 293.A N THR 291.A OG1 no hydrogen 3.044 N/A ARG 293.A NH2 ASP 78.A OD2 no hydrogen 2.437 N/A TYR 294.A N THR 291.A O no hydrogen 3.326 N/A SER 295.A N LEU 292.A O no hydrogen 2.982 N/A