Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 PRO 89.A O no hydrogen 2.553 N/A ARG 2.A NH2 PRO 89.A O no hydrogen 3.231 N/A TYR 6.A N VAL 17.A O no hydrogen 2.883 N/A TYR 6.A OH TYR 21.A O no hydrogen 2.573 N/A GLN 8.A N TRP 15.A O no hydrogen 3.004 N/A LEU 10.A N THR 13.A O no hydrogen 2.818 N/A THR 13.A N LEU 10.A O no hydrogen 3.057 N/A TRP 15.A N GLN 8.A O no hydrogen 3.193 N/A GLU 16.A N TYR 100.A OH no hydrogen 3.189 N/A VAL 17.A N TYR 6.A O no hydrogen 3.160 N/A GLU 19.A N THR 4.A O no hydrogen 2.832 N/A ARG 20.A NE ASP 40.A OD1 no hydrogen 3.080 N/A ARG 20.A NH2 ASP 40.A OD1 no hydrogen 3.513 N/A ARG 20.A NH2 ASP 40.A OD2 no hydrogen 3.026 N/A TYR 21.A N PRO 18.A O no hydrogen 3.094 N/A TYR 21.A OH ASP 85.A OD1 no hydrogen 2.629 N/A GLN 22.A N PHE 39.A O no hydrogen 2.823 N/A GLN 22.A NE2 GLU 19.A O no hydrogen 2.686 N/A SER 25.A N ALA 37.A O no hydrogen 3.179 N/A VAL 27.A N VAL 35.A O no hydrogen 3.192 N/A ALA 31.A N GLY 28.A O no hydrogen 3.134 N/A CYS 36.A N VAL 49.A O no hydrogen 2.981 N/A ALA 37.A N SER 25.A O no hydrogen 2.815 N/A ALA 38.A N VAL 47.A O no hydrogen 2.913 N/A PHE 39.A N GLN 22.A O no hydrogen 2.759 N/A ASP 40.A N LEU 45.A O no hydrogen 2.904 N/A THR 41.A N ARG 20.A O no hydrogen 2.886 N/A THR 41.A OG1 ARG 20.A O no hydrogen 2.971 N/A LYS 42.A N ASP 40.A OD1 no hydrogen 2.997 N/A THR 43.A OG1 ASP 40.A OD2 no hydrogen 2.776 N/A GLY 44.A N ASP 40.A O no hydrogen 2.828 N/A LEU 45.A N THR 43.A OG1 no hydrogen 3.342 N/A ARG 46.A NH1 LEU 105.A O no hydrogen 3.247 N/A VAL 47.A N ALA 38.A O no hydrogen 2.939 N/A ALA 48.A N THR 103.A O no hydrogen 2.732 N/A VAL 49.A N CYS 36.A O no hydrogen 2.790 N/A LYS 50.A N LEU 101.A O no hydrogen 2.783 N/A LYS 50.A NZ GLU 68.A OE1 no hydrogen 2.873 N/A LYS 51.A N SER 34.A O no hydrogen 2.967 N/A LYS 51.A NZ THR 13.A OG1 no hydrogen 2.582 N/A LYS 51.A NZ ILE 14.A O no hydrogen 2.916 N/A LYS 51.A NZ TYR 100.A OH no hydrogen 3.425 N/A LEU 52.A N VAL 99.A O no hydrogen 2.985 N/A SER 58.A OG HIS 61.A ND1 no hydrogen 2.924 N/A HIS 61.A N SER 58.A OG no hydrogen 3.101 N/A HIS 61.A ND1 SER 58.A OG no hydrogen 2.924 N/A ALA 62.A N SER 58.A O no hydrogen 2.942 N/A LYS 63.A N ILE 59.A O no hydrogen 2.923 N/A LYS 63.A NZ ARG 313.A O no hydrogen 3.052 N/A ARG 64.A N ILE 60.A O no hydrogen 3.021 N/A THR 65.A N HIS 61.A O no hydrogen 2.985 N/A THR 65.A OG1 PRO 55.A O no hydrogen 2.976 N/A THR 65.A OG1 HIS 61.A O no hydrogen 2.935 N/A TYR 66.A N ALA 62.A O no hydrogen 3.139 N/A ARG 67.A N LYS 63.A O no hydrogen 3.066 N/A GLU 68.A N ARG 64.A O no hydrogen 2.940 N/A LEU 69.A N THR 65.A O no hydrogen 2.887 N/A ARG 70.A N TYR 66.A O no hydrogen 2.833 N/A ARG 70.A NE GLU 327.A OE2 no hydrogen 3.397 N/A LEU 71.A N ARG 67.A O no hydrogen 2.926 N/A LEU 72.A N GLU 68.A O no hydrogen 3.131 N/A LYS 73.A N LEU 69.A O no hydrogen 3.008 N/A LYS 73.A NZ GLU 327.A O no hydrogen 2.981 N/A LYS 73.A NZ GLU 327.A OE1 no hydrogen 2.629 N/A HIS 74.A N ARG 70.A O no hydrogen 3.041 N/A HIS 74.A N LEU 71.A O no hydrogen 3.050 N/A HIS 74.A NE2 ASP 304.A O no hydrogen 2.571 N/A MET 75.A N LEU 71.A O no hydrogen 3.066 N/A LYS 76.A N TYR 137.A OH no hydrogen 2.995 N/A ASN 79.A ND2 LEU 161.A O no hydrogen 3.175 N/A VAL 80.A N HIS 77.A O no hydrogen 3.368 N/A ILE 81.A N ILE 163.A O no hydrogen 3.008 N/A LEU 84.A N VAL 102.A O no hydrogen 2.811 N/A ASP 85.A N VAL 102.A O no hydrogen 3.424 N/A PHE 87.A N TYR 100.A O no hydrogen 2.980 N/A THR 88.A OG1 ASP 98.A O no hydrogen 2.707 N/A ALA 90.A N THR 88.A OG1 no hydrogen 3.408 N/A ARG 91.A N GLU 95.A OE1 no hydrogen 2.718 N/A GLU 95.A N SER 92.A OG no hydrogen 2.953 N/A PHE 96.A N SER 92.A O no hydrogen 2.925 N/A PHE 96.A N LEU 93.A O no hydrogen 2.917 N/A TYR 100.A N PHE 87.A O no hydrogen 2.885 N/A LEU 101.A N LYS 50.A O no hydrogen 2.897 N/A VAL 102.A N ASP 85.A O no hydrogen 2.892 N/A THR 103.A N ALA 48.A O no hydrogen 3.028 N/A THR 103.A OG1 GLY 82.A O no hydrogen 2.763 N/A LEU 105.A N ARG 46.A O no hydrogen 3.003 N/A LEU 110.A N PRO 150.A O no hydrogen 3.198 N/A LEU 110.A N LEU 153.A O no hydrogen 2.827 N/A ASN 112.A N ASP 109.A OD2 no hydrogen 3.139 N/A ILE 113.A N LEU 110.A O no hydrogen 3.050 N/A VAL 114.A N LEU 110.A O no hydrogen 3.055 N/A VAL 114.A N ASN 111.A O no hydrogen 3.222 N/A LYS 115.A N ASN 111.A O no hydrogen 2.930 N/A GLN 117.A N VAL 114.A O no hydrogen 3.021 N/A LEU 119.A N LEU 199.A O no hydrogen 2.902 N/A HIS 123.A N THR 120.A OG1 no hydrogen 3.346 N/A VAL 124.A N THR 120.A O no hydrogen 2.899 N/A GLN 125.A N ASP 121.A O no hydrogen 2.920 N/A GLN 125.A NE2 GLN 293.A OE1 no hydrogen 2.476 N/A PHE 126.A N ASP 122.A O no hydrogen 3.105 N/A LEU 127.A N HIS 123.A O no hydrogen 2.940 N/A ILE 128.A N VAL 124.A O no hydrogen 3.028 N/A TYR 129.A N GLN 125.A O no hydrogen 2.819 N/A TYR 129.A OH GLU 300.A OE1 no hydrogen 2.575 N/A GLN 130.A N PHE 126.A O no hydrogen 3.247 N/A GLN 130.A NE2 PHE 126.A O no hydrogen 3.198 N/A GLN 130.A NE2 SER 159.A O no hydrogen 2.820 N/A ILE 131.A N LEU 127.A O no hydrogen 3.277 N/A LEU 132.A N ILE 128.A O no hydrogen 2.913 N/A ARG 133.A N TYR 129.A O no hydrogen 2.842 N/A ARG 133.A NE ASP 299.A O no hydrogen 2.761 N/A ARG 133.A NH1 GLU 78.A OE2 no hydrogen 3.186 N/A ARG 133.A NH1 ASN 79.A OD1 no hydrogen 2.950 N/A ARG 133.A NH2 ASP 299.A O no hydrogen 3.135 N/A GLY 134.A N GLN 130.A O no hydrogen 2.981 N/A LEU 135.A N ILE 131.A O no hydrogen 2.807 N/A LYS 136.A N LEU 132.A O no hydrogen 2.831 N/A LYS 136.A NZ GLU 300.A O no hydrogen 2.891 N/A TYR 137.A N ARG 133.A O no hydrogen 3.331 N/A TYR 137.A OH HIS 74.A O no hydrogen 3.144 N/A ILE 138.A N GLY 134.A O no hydrogen 3.003 N/A HIS 139.A N LEU 135.A O no hydrogen 2.989 N/A HIS 139.A NE2 ASP 188.A OD1 no hydrogen 2.834 N/A SER 140.A N LYS 136.A O no hydrogen 3.077 N/A SER 140.A N TYR 137.A O no hydrogen 3.122 N/A SER 140.A OG LYS 136.A O no hydrogen 3.477 N/A SER 140.A OG TYR 137.A O no hydrogen 2.591 N/A ALA 141.A N TYR 137.A O no hydrogen 3.305 N/A ALA 141.A N ILE 138.A O no hydrogen 3.180 N/A ASP 142.A N HIS 139.A O no hydrogen 3.076 N/A ILE 143.A N ILE 138.A O no hydrogen 3.196 N/A HIS 145.A N ASP 188.A OD1 no hydrogen 2.913 N/A HIS 145.A NE2 LEU 164.A O no hydrogen 2.771 N/A ARG 146.A N ASP 188.A OD2 no hydrogen 2.826 N/A ARG 146.A NE GLY 167.A O no hydrogen 3.074 N/A ARG 146.A NH2 GLY 167.A O no hydrogen 2.809 N/A ASP 147.A N HIS 145.A ND1 no hydrogen 3.237 N/A LYS 149.A NZ ASP 147.A OD1 no hydrogen 3.187 N/A LYS 149.A NZ ASP 147.A OD2 no hydrogen 3.248 N/A LYS 149.A NZ THR 168.A O no hydrogen 2.983 N/A ASN 152.A N LYS 149.A O no hydrogen 3.026 N/A ASN 152.A ND2 ASP 165.A OD2 no hydrogen 3.223 N/A LEU 153.A N PRO 150.A O no hydrogen 3.148 N/A ALA 154.A N LYS 162.A O no hydrogen 2.927 N/A VAL 155.A N ALA 108.A O no hydrogen 2.942 N/A ASN 156.A N GLU 160.A O no hydrogen 3.010 N/A ASN 156.A ND2 GLU 160.A OE2 no hydrogen 2.817 N/A SER 159.A N ASN 156.A O no hydrogen 2.781 N/A GLU 160.A N ASN 156.A OD1 no hydrogen 3.003 N/A LEU 161.A N GLN 130.A OE1 no hydrogen 2.952 N/A LYS 162.A N ALA 154.A O no hydrogen 2.856 N/A LYS 162.A NZ GLU 78.A O no hydrogen 2.586 N/A ILE 163.A N ASN 79.A O no hydrogen 2.926 N/A LEU 164.A N ASN 152.A O no hydrogen 2.830 N/A ARG 169.A N THR 168.A OG1 no hydrogen 2.540 N/A TRP 170.A NE1 GLY 208.A O no hydrogen 2.886 N/A TYR 171.A OH GLU 198.A OE1 no hydrogen 2.535 N/A TYR 171.A OH GLU 198.A OE2 no hydrogen 3.326 N/A ARG 172.A N ARG 169.A O no hydrogen 3.362 N/A ARG 172.A NH1 ASP 147.A OD2 no hydrogen 3.127 N/A GLU 175.A N GLU 175.A OE2 no hydrogen 2.820 N/A ILE 176.A N ALA 173.A O no hydrogen 3.024 N/A MET 177.A N ALA 173.A O no hydrogen 3.214 N/A LEU 178.A N PRO 174.A O no hydrogen 2.894 N/A ASN 179.A N ILE 176.A O no hydrogen 3.101 N/A TRP 180.A N GLU 175.A O no hydrogen 3.066 N/A ASN 184.A ND2 THR 186.A OG1 no hydrogen 3.080 N/A GLN 185.A NE2 HIS 139.A O no hydrogen 2.753 N/A THR 186.A OG1 SER 276.A O no hydrogen 2.717 N/A VAL 187.A N ASN 184.A O no hydrogen 3.039 N/A ASP 188.A N GLN 185.A O no hydrogen 2.930 N/A TRP 190.A N THR 186.A O no hydrogen 3.142 N/A SER 191.A N VAL 187.A O no hydrogen 3.430 N/A SER 191.A OG TYR 171.A O no hydrogen 2.847 N/A SER 191.A OG VAL 187.A O no hydrogen 3.363 N/A VAL 192.A N ASP 188.A O no hydrogen 2.991 N/A GLY 193.A N ILE 189.A O no hydrogen 3.008 N/A CYS 194.A N TRP 190.A O no hydrogen 3.288 N/A CYS 194.A SG TRP 190.A O no hydrogen 3.267 N/A ILE 195.A N SER 191.A O no hydrogen 3.039 N/A MET 196.A N VAL 192.A O no hydrogen 2.767 N/A ALA 197.A N GLY 193.A O no hydrogen 2.842 N/A GLU 198.A N CYS 194.A O no hydrogen 3.171 N/A LEU 199.A N ILE 195.A O no hydrogen 2.940 N/A LEU 200.A N MET 196.A O no hydrogen 3.099 N/A THR 201.A N ALA 197.A O no hydrogen 2.983 N/A THR 201.A OG1 ALA 197.A O no hydrogen 3.004 N/A GLY 202.A N GLU 198.A O no hydrogen 2.991 N/A ARG 203.A N THR 201.A OG1 no hydrogen 3.212 N/A GLY 208.A N PHE 206.A O no hydrogen 2.838 N/A THR 209.A N ASP 213.A OD2 no hydrogen 2.605 N/A THR 209.A OG1 ASP 213.A OD2 no hydrogen 2.802 N/A ASP 213.A N ASP 210.A OD2 no hydrogen 2.758 N/A GLN 214.A N ASP 210.A O no hydrogen 3.030 N/A LEU 215.A N HIS 211.A O no hydrogen 3.199 N/A LYS 216.A N ILE 212.A O no hydrogen 2.995 N/A LEU 217.A N ASP 213.A O no hydrogen 3.000 N/A ILE 218.A N GLN 214.A O no hydrogen 2.908 N/A LEU 219.A N LEU 215.A O no hydrogen 2.944 N/A ARG 220.A N LYS 216.A O no hydrogen 3.121 N/A LEU 221.A N LEU 217.A O no hydrogen 3.250 N/A LEU 221.A N ILE 218.A O no hydrogen 3.115 N/A VAL 222.A N ILE 218.A O no hydrogen 2.904 N/A LEU 230.A N GLY 226.A O no hydrogen 3.017 N/A LYS 231.A N ALA 227.A O no hydrogen 3.111 N/A LYS 232.A N LEU 229.A O no hydrogen 2.815 N/A LYS 232.A NZ ASP 275.A OD1 no hydrogen 2.945 N/A LYS 232.A NZ ASP 275.A OD2 no hydrogen 2.811 N/A LYS 232.A NZ ASP 277.A OD1 no hydrogen 2.622 N/A ILE 233.A N LEU 230.A O no hydrogen 3.221 N/A SER 237.A OG SER 235.A OG no hydrogen 3.200 N/A ALA 238.A N SER 235.A OG no hydrogen 2.995 N/A ARG 239.A N SER 235.A O no hydrogen 2.889 N/A ASN 240.A N GLU 236.A O no hydrogen 2.812 N/A TYR 241.A N SER 237.A O no hydrogen 3.033 N/A ILE 242.A N ALA 238.A O no hydrogen 2.963 N/A GLN 243.A N ARG 239.A O no hydrogen 3.010 N/A GLN 243.A NE2 ARG 239.A O no hydrogen 3.454 N/A SER 244.A N ASN 240.A O no hydrogen 3.183 N/A SER 244.A OG TYR 241.A O no hydrogen 2.737 N/A LEU 245.A N ILE 242.A O no hydrogen 2.812 N/A MET 248.A N THR 224.A OG1 no hydrogen 3.337 N/A LYS 250.A NZ MET 251.A O no hydrogen 3.430 N/A LYS 250.A NZ GLU 269.A OE2 no hydrogen 2.771 N/A MET 251.A N LEU 221.A O no hydrogen 3.022 N/A ASN 255.A N ASN 252.A O no hydrogen 2.985 N/A VAL 256.A N PHE 253.A O no hydrogen 3.105 N/A PHE 257.A N PHE 253.A O no hydrogen 2.755 N/A ALA 260.A N PHE 257.A O no hydrogen 3.136 N/A ASN 261.A ND2 ASP 121.A OD2 no hydrogen 2.774 N/A LEU 263.A N ASN 261.A OD1 no hydrogen 3.080 N/A VAL 265.A N ASN 261.A O no hydrogen 3.106 N/A ASP 266.A N PRO 262.A O no hydrogen 2.858 N/A LEU 267.A N LEU 263.A O no hydrogen 2.990 N/A LEU 268.A N ALA 264.A O no hydrogen 2.832 N/A GLU 269.A N VAL 265.A O no hydrogen 3.020 N/A LYS 270.A N ASP 266.A O no hydrogen 3.278 N/A MET 271.A N LEU 267.A O no hydrogen 2.952 N/A MET 271.A N LEU 268.A O no hydrogen 3.250 N/A LEU 272.A N LEU 268.A O no hydrogen 3.022 N/A SER 276.A OG ASN 184.A OD1 no hydrogen 2.877 N/A ASP 277.A N ASP 275.A OD1 no hydrogen 3.346 N/A LYS 278.A N ASP 275.A O no hydrogen 2.914 N/A LYS 278.A NZ GLU 228.A OE2 no hydrogen 3.159 N/A ARG 279.A NE VAL 273.A O no hydrogen 2.811 N/A ARG 279.A NH1 GLU 175.A OE1 no hydrogen 2.839 N/A ARG 279.A NH1 THR 186.A O no hydrogen 3.346 N/A ARG 279.A NH2 GLU 175.A OE2 no hydrogen 3.127 N/A ARG 279.A NH2 VAL 273.A O no hydrogen 3.369 N/A ARG 279.A NH2 LEU 274.A O no hydrogen 2.917 N/A ILE 280.A N LYS 270.A O no hydrogen 2.912 N/A THR 281.A N GLN 284.A OE1 no hydrogen 3.180 N/A GLN 284.A N THR 281.A OG1 no hydrogen 3.173 N/A ALA 285.A N THR 281.A O no hydrogen 3.078 N/A LEU 286.A N ALA 282.A O no hydrogen 3.004 N/A ALA 287.A N GLN 284.A O no hydrogen 2.931 N/A HIS 288.A N ALA 285.A O no hydrogen 2.952 N/A HIS 288.A NE2 ASP 266.A OD2 no hydrogen 2.610 N/A TYR 290.A N HIS 288.A ND1 no hydrogen 3.042 N/A TYR 290.A OH ASP 121.A OD1 no hydrogen 2.580 N/A PHE 291.A N HIS 288.A O no hydrogen 3.095 N/A ALA 292.A N ALA 289.A O no hydrogen 3.018 N/A TYR 294.A N PHE 291.A O no hydrogen 2.901 N/A HIS 295.A N PHE 291.A O no hydrogen 2.804 N/A HIS 295.A ND1 GLU 300.A OE1 no hydrogen 2.502 N/A ASP 296.A N GLU 300.A OE1 no hydrogen 3.288 N/A ASP 298.A N ASP 296.A OD1 no hydrogen 3.205 N/A ASP 299.A N ASP 296.A O no hydrogen 2.850 N/A ALA 303.A N SER 140.A OG no hydrogen 2.708 N/A TYR 306.A N ALA 141.A O no hydrogen 3.251 N/A TYR 306.A OH GLU 311.A OE2 no hydrogen 2.401 N/A GLN 308.A NE2 GLN 308.A O no hydrogen 3.273 N/A SER 309.A N ASP 307.A OD1 no hydrogen 3.044 N/A SER 309.A OG ASP 307.A OD1 no hydrogen 2.513 N/A GLU 311.A N GLN 308.A O no hydrogen 3.267 N/A SER 312.A OG GLN 308.A O no hydrogen 2.836 N/A ARG 313.A NE LEU 310.A O no hydrogen 2.820 N/A ARG 313.A NH2 LEU 310.A O no hydrogen 3.430 N/A LEU 316.A N GLU 319.A OE1 no hydrogen 3.130 N/A GLU 319.A N LEU 316.A O no hydrogen 2.981 N/A TRP 320.A N LEU 316.A O no hydrogen 2.957 N/A LYS 321.A N ILE 317.A O no hydrogen 2.750 N/A LYS 321.A NZ PHE 96.A O no hydrogen 2.945 N/A SER 322.A N ASP 318.A O no hydrogen 3.095 N/A LEU 323.A N GLU 319.A O no hydrogen 3.133 N/A THR 324.A N TRP 320.A O no hydrogen 3.094 N/A THR 324.A OG1 TRP 320.A O no hydrogen 2.695 N/A TYR 325.A N LYS 321.A O no hydrogen 3.062 N/A ASP 326.A N SER 322.A O no hydrogen 3.091 N/A GLU 327.A N LEU 323.A O no hydrogen 3.133 N/A VAL 328.A N THR 324.A O no hydrogen 3.112 N/A VAL 328.A N TYR 325.A O no hydrogen 3.139 N/A ILE 329.A N TYR 325.A O no hydrogen 3.056 N/A SER 330.A N ASP 326.A O no hydrogen 2.883 N/A SER 330.A OG ASP 326.A O no hydrogen 2.713 N/A SER 330.A OG GLU 327.A O no hydrogen 3.429 N/A PHE 331.A N VAL 328.A O no hydrogen 3.135 N/A