Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2i3a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N ARG 31.A O no hydrogen 2.896 N/A LYS 3.A N ASP 74.A OD2 no hydrogen 2.960 N/A VAL 4.A N ARG 33.A O no hydrogen 3.041 N/A ALA 5.A N ALA 75.A O no hydrogen 3.046 N/A VAL 6.A N ALA 36.A O no hydrogen 2.897 N/A ALA 7.A N PHE 77.A O no hydrogen 2.718 N/A GLY 8.A N THR 38.A O no hydrogen 2.637 N/A ALA 9.A N THR 38.A O no hydrogen 2.822 N/A GLY 11.A N GLY 8.A O no hydrogen 3.348 N/A GLY 15.A N GLY 11.A O no hydrogen 3.135 N/A GLU 16.A N TYR 12.A O no hydrogen 3.119 N/A GLU 16.A N ALA 13.A O no hydrogen 3.217 N/A ILE 17.A N ALA 13.A O no hydrogen 2.920 N/A LEU 18.A N GLY 14.A O no hydrogen 2.945 N/A ARG 19.A N GLY 15.A O no hydrogen 2.932 N/A ARG 19.A NE GLU 16.A OE1 no hydrogen 2.964 N/A ARG 19.A NE GLU 16.A OE2 no hydrogen 3.190 N/A ARG 19.A NH2 GLU 16.A OE2 no hydrogen 2.664 N/A LEU 20.A N GLU 16.A O no hydrogen 3.033 N/A LEU 21.A N ILE 17.A O no hydrogen 2.795 N/A LEU 22.A N LEU 18.A O no hydrogen 2.901 N/A GLY 23.A N ARG 19.A O no hydrogen 3.352 N/A HIS 24.A N LEU 21.A O no hydrogen 3.177 N/A HIS 24.A NE2 ASN 326.A OD1 no hydrogen 2.968 N/A ALA 26.A N HIS 24.A ND1 no hydrogen 3.174 N/A TYR 27.A N HIS 24.A O no hydrogen 3.159 N/A ALA 28.A N HIS 24.A O no hydrogen 3.205 N/A ASP 29.A N PRO 25.A O no hydrogen 3.114 N/A GLY 30.A N TYR 27.A O no hydrogen 3.354 N/A ARG 31.A N ASP 29.A OD1 no hydrogen 2.953 N/A LEU 32.A N ALA 26.A O no hydrogen 2.533 N/A ARG 33.A N THR 2.A O no hydrogen 2.981 N/A GLY 35.A N VAL 4.A O no hydrogen 2.641 N/A ALA 36.A N HIS 73.A NE2 no hydrogen 3.184 N/A THR 38.A N VAL 6.A O no hydrogen 2.939 N/A THR 38.A OG1 THR 65.A OG1 no hydrogen 2.856 N/A ALA 39.A N GLU 63.A O no hydrogen 2.965 N/A SER 42.A OG THR 41.A O no hydrogen 2.890 N/A SER 42.A OG SER 45.A OG no hydrogen 3.313 N/A GLY 44.A N VAL 62.A O no hydrogen 2.936 N/A SER 45.A N SER 42.A O no hydrogen 3.215 N/A SER 45.A OG SER 42.A O no hydrogen 2.596 N/A SER 45.A OG SER 42.A OG no hydrogen 3.313 N/A SER 45.A OG HIS 50.A NE2 no hydrogen 2.801 N/A THR 46.A N GLU 49.A OE2 no hydrogen 3.131 N/A THR 46.A OG1 GLU 49.A OE2 no hydrogen 3.288 N/A LEU 47.A N ARG 60.A O no hydrogen 2.833 N/A GLY 48.A N ALA 58.A O no hydrogen 2.958 N/A GLU 49.A N THR 46.A O no hydrogen 3.248 N/A HIS 50.A N LEU 47.A O no hydrogen 2.951 N/A HIS 50.A NE2 SER 45.A OG no hydrogen 2.801 N/A HIS 51.A N LEU 47.A O no hydrogen 2.783 N/A HIS 51.A NE2 ALA 9.A O no hydrogen 2.825 N/A HIS 53.A N HIS 53.A ND1 no hydrogen 2.935 N/A LEU 54.A N HIS 51.A O no hydrogen 3.095 N/A LEU 57.A N LEU 54.A O no hydrogen 2.934 N/A ALA 58.A N THR 55.A O no hydrogen 3.167 N/A ARG 60.A N LEU 57.A O no hydrogen 3.038 N/A ARG 60.A NH1 ILE 34.A O no hydrogen 3.314 N/A ARG 60.A NH1 GLY 35.A O no hydrogen 3.250 N/A ARG 60.A NH2 ILE 34.A O no hydrogen 3.023 N/A VAL 62.A N SER 45.A O no hydrogen 2.958 N/A GLU 63.A N LEU 37.A O no hydrogen 2.818 N/A THR 65.A N ALA 39.A O no hydrogen 3.309 N/A THR 65.A OG1 THR 38.A OG1 no hydrogen 2.856 N/A LEU 70.A N GLU 66.A O no hydrogen 3.115 N/A GLY 71.A N ALA 67.A O no hydrogen 2.920 N/A HIS 73.A ND1 LEU 70.A O no hydrogen 3.118 N/A ASP 74.A N LYS 3.A O no hydrogen 2.744 N/A ALA 75.A N LYS 3.A O no hydrogen 3.191 N/A VAL 76.A N LEU 97.A O no hydrogen 2.792 N/A PHE 77.A N ALA 5.A O no hydrogen 2.942 N/A LEU 78.A N ILE 99.A O no hydrogen 2.982 N/A ALA 79.A N ALA 7.A O no hydrogen 2.747 N/A GLY 83.A N LEU 80.A O no hydrogen 3.022 N/A SER 85.A OG ASP 100.A OD1 no hydrogen 3.176 N/A SER 85.A OG ASP 100.A OD2 no hydrogen 3.115 N/A ALA 86.A N ASP 104.A OD2 no hydrogen 2.950 N/A ALA 89.A N SER 85.A O no hydrogen 3.132 N/A GLN 90.A N ALA 86.A O no hydrogen 3.197 N/A GLN 91.A N LEU 88.A O no hydrogen 3.169 N/A GLN 91.A NE2 VAL 87.A O no hydrogen 3.363 N/A GLU 95.A N SER 93.A OG no hydrogen 3.317 N/A THR 96.A N SER 93.A O no hydrogen 2.612 N/A THR 96.A OG1 SER 93.A O no hydrogen 3.410 N/A LEU 97.A N ASP 74.A O no hydrogen 3.012 N/A ILE 98.A N ARG 143.A O no hydrogen 2.882 N/A ILE 99.A N VAL 76.A O no hydrogen 3.031 N/A ASP 100.A N ILE 145.A O no hydrogen 2.800 N/A CYS 101.A N LEU 78.A O no hydrogen 2.930 N/A GLY 102.A N ASP 100.A OD1 no hydrogen 3.011 N/A ARG 106.A N ALA 103.A O no hydrogen 3.079 N/A ARG 106.A NE GLY 102.A O no hydrogen 3.152 N/A ARG 106.A NE VAL 147.A O no hydrogen 2.799 N/A ARG 106.A NH1 GLU 214.A OE1 no hydrogen 2.985 N/A ARG 106.A NH2 CYS 101.A O no hydrogen 2.671 N/A THR 108.A N GLN 217.A OE1 no hydrogen 2.922 N/A THR 108.A OG1 GLN 217.A OE1 no hydrogen 3.388 N/A VAL 112.A N ASP 109.A OD1 no hydrogen 3.427 N/A TRP 113.A N ASP 109.A O no hydrogen 2.963 N/A TRP 113.A NE1 SER 119.A OG no hydrogen 2.864 N/A GLU 114.A N ALA 110.A O no hydrogen 2.956 N/A ARG 115.A N ALA 111.A O no hydrogen 3.163 N/A PHE 116.A N VAL 112.A O no hydrogen 3.107 N/A PHE 116.A N TRP 113.A O no hydrogen 3.200 N/A TYR 117.A N TRP 113.A O no hydrogen 2.858 N/A GLY 118.A N GLU 114.A O no hydrogen 2.744 N/A HIS 121.A NE2 LEU 107.A O no hydrogen 2.694 N/A TRP 125.A N PHE 105.A O no hydrogen 2.911 N/A TYR 127.A OH GLU 214.A OE2 no hydrogen 2.617 N/A GLY 128.A N ALA 146.A O no hydrogen 2.695 N/A LEU 129.A N TYR 127.A O no hydrogen 2.707 N/A LEU 132.A N LEU 129.A O no hydrogen 3.070 N/A ALA 135.A N LEU 132.A O no hydrogen 2.935 N/A ARG 136.A NE GLU 333.A OE1 no hydrogen 2.896 N/A ARG 136.A NH1 GLU 268.A OE1 no hydrogen 3.456 N/A ARG 136.A NH1 GLU 268.A OE2 no hydrogen 2.942 N/A ARG 136.A NH2 GLU 268.A OE1 no hydrogen 2.769 N/A ARG 136.A NH2 GLU 333.A OE1 no hydrogen 3.461 N/A ARG 136.A NH2 GLU 333.A OE2 no hydrogen 2.794 N/A ARG 140.A N ARG 136.A O no hydrogen 3.414 N/A GLY 141.A N LEU 327.A O no hydrogen 3.393 N/A THR 142.A N LEU 139.A O no hydrogen 3.118 N/A THR 142.A OG1 ARG 144.A O no hydrogen 2.973 N/A ARG 143.A NE GLU 95.A O no hydrogen 3.405 N/A ARG 144.A N THR 142.A OG1 no hydrogen 3.037 N/A ARG 144.A NH1 ARG 143.A O no hydrogen 2.817 N/A ARG 144.A NH2 SER 93.A O no hydrogen 3.552 N/A ILE 145.A N ILE 98.A O no hydrogen 2.785 N/A ALA 146.A N PRO 126.A O no hydrogen 2.943 N/A VAL 147.A N ASP 100.A O no hydrogen 2.772 N/A GLY 149.A N GLU 214.A OE2 no hydrogen 2.766 N/A TYR 151.A OH TYR 203.A OH no hydrogen 2.604 N/A THR 153.A N GLY 149.A O no hydrogen 3.210 N/A THR 153.A OG1 GLY 149.A O no hydrogen 2.762 N/A ALA 154.A N CYS 150.A O no hydrogen 3.250 N/A ALA 155.A N TYR 151.A O no hydrogen 2.978 N/A LEU 156.A N PRO 152.A O no hydrogen 2.861 N/A LEU 157.A N THR 153.A O no hydrogen 3.164 N/A ALA 158.A N ALA 154.A O no hydrogen 3.011 N/A LEU 159.A N ALA 155.A O no hydrogen 3.017 N/A LEU 159.A N LEU 156.A O no hydrogen 3.347 N/A PHE 160.A N LEU 156.A O no hydrogen 2.874 N/A ALA 162.A N TYR 261.A OH no hydrogen 3.380 N/A LEU 163.A N LEU 159.A O no hydrogen 3.187 N/A ALA 164.A N PHE 160.A O no hydrogen 2.868 N/A ALA 165.A N PRO 161.A O no hydrogen 3.248 N/A ASP 166.A N LEU 163.A O no hydrogen 2.906 N/A LEU 167.A N ALA 162.A O no hydrogen 2.934 N/A GLU 169.A N ARG 249.A O no hydrogen 2.888 N/A VAL 172.A N SER 228.A O no hydrogen 2.826 N/A THR 173.A N THR 247.A O no hydrogen 2.779 N/A VAL 174.A N SER 230.A O no hydrogen 2.687 N/A VAL 175.A N THR 245.A O no hydrogen 2.982 N/A ALA 176.A N THR 232.A O no hydrogen 2.847 N/A VAL 177.A N LEU 243.A O no hydrogen 2.946 N/A SER 178.A N VAL 234.A O no hydrogen 2.899 N/A SER 178.A OG GLY 179.A O no hydrogen 3.005 N/A GLY 179.A N GLY 241.A O no hydrogen 2.737 N/A THR 180.A N ALA 238.A O no hydrogen 2.778 N/A SER 181.A N SER 239.A O no hydrogen 2.844 N/A SER 181.A OG SER 239.A O no hydrogen 2.573 N/A ALA 183.A N THR 180.A O no hydrogen 3.041 N/A GLY 184.A N SER 181.A O no hydrogen 3.096 N/A ARG 185.A NH1 SER 10.A O no hydrogen 2.756 N/A ARG 185.A NH1 HIS 50.A O no hydrogen 2.956 N/A ARG 185.A NH2 HIS 50.A O no hydrogen 2.721 N/A THR 188.A N ALA 186.A O no hydrogen 2.763 N/A THR 188.A OG1 ALA 186.A O no hydrogen 3.414 N/A LEU 191.A N THR 188.A O no hydrogen 3.190 N/A LEU 192.A N THR 189.A O no hydrogen 3.075 N/A VAL 196.A N LEU 192.A O no hydrogen 2.920 N/A ILE 197.A N GLY 193.A O no hydrogen 2.850 N/A SER 199.A N VAL 196.A O no hydrogen 3.005 N/A ARG 201.A N LEU 235.A O no hydrogen 3.153 N/A ARG 201.A NH2 ASP 190.A O no hydrogen 3.133 N/A TYR 203.A N PRO 233.A O no hydrogen 3.210 N/A TYR 203.A OH TYR 151.A OH no hydrogen 2.604 N/A ARG 210.A NE PHE 116.A O no hydrogen 3.076 N/A HIS 211.A N HIS 209.A ND1 no hydrogen 3.000 N/A THR 212.A N HIS 209.A O no hydrogen 2.938 N/A THR 212.A OG1 HIS 209.A O no hydrogen 2.785 N/A ILE 215.A N HIS 211.A O no hydrogen 3.038 N/A ALA 216.A N THR 212.A O no hydrogen 3.088 N/A GLN 217.A N PRO 213.A O no hydrogen 3.015 N/A GLN 217.A NE2 ARG 106.A O no hydrogen 3.095 N/A GLY 218.A N GLU 214.A O no hydrogen 3.099 N/A LEU 219.A N ILE 215.A O no hydrogen 2.992 N/A ARG 220.A N ALA 216.A O no hydrogen 2.796 N/A ALA 221.A N GLN 217.A O no hydrogen 3.268 N/A VAL 222.A N LEU 219.A O no hydrogen 2.905 N/A ARG 225.A N THR 223.A OG1 no hydrogen 3.282 N/A ARG 225.A NE ASP 166.A OD1 no hydrogen 2.998 N/A ARG 225.A NH2 ASP 166.A OD1 no hydrogen 3.290 N/A ARG 225.A NH2 ASP 166.A OD2 no hydrogen 2.715 N/A SER 228.A N PRO 170.A O no hydrogen 2.936 N/A SER 230.A N VAL 172.A O no hydrogen 2.925 N/A THR 232.A N VAL 174.A O no hydrogen 2.753 N/A VAL 234.A N ALA 176.A O no hydrogen 2.894 N/A LEU 235.A N ARG 201.A O no hydrogen 2.919 N/A ILE 236.A N SER 178.A O no hydrogen 3.004 N/A ALA 238.A N ILE 236.A O no hydrogen 2.836 N/A ARG 240.A NH1 GLU 16.A OE2 no hydrogen 2.850 N/A ARG 240.A NH1 ASP 311.A OD1 no hydrogen 3.450 N/A ARG 240.A NH1 ASP 311.A OD2 no hydrogen 2.993 N/A ARG 240.A NH2 GLU 16.A OE1 no hydrogen 2.976 N/A ARG 240.A NH2 GLU 16.A OE2 no hydrogen 3.338 N/A GLY 241.A N ASN 312.A OD1 no hydrogen 2.843 N/A ILE 242.A N ILE 310.A O no hydrogen 2.942 N/A LEU 243.A N VAL 177.A O no hydrogen 2.690 N/A ALA 244.A N ALA 308.A O no hydrogen 2.760 N/A THR 245.A N VAL 175.A O no hydrogen 3.130 N/A CYS 246.A N ALA 306.A O no hydrogen 2.894 N/A THR 247.A N THR 173.A O no hydrogen 2.772 N/A ALA 248.A N PHE 304.A O no hydrogen 3.179 N/A THR 250.A N GLN 302.A O no hydrogen 3.026 N/A THR 250.A OG1 LEU 167.A O no hydrogen 2.651 N/A SER 252.A N THR 250.A OG1 no hydrogen 3.042 N/A SER 252.A OG LEU 167.A O no hydrogen 3.109 N/A LEU 257.A N PRO 253.A O no hydrogen 3.233 N/A ARG 258.A N LEU 254.A O no hydrogen 2.855 N/A ALA 259.A N SER 255.A O no hydrogen 3.165 N/A ALA 260.A N GLN 256.A O no hydrogen 3.236 N/A ALA 260.A N LEU 257.A O no hydrogen 3.034 N/A TYR 261.A N LEU 257.A O no hydrogen 3.211 N/A TYR 261.A OH ALA 158.A O no hydrogen 2.477 N/A GLU 262.A N ARG 258.A O no hydrogen 2.987 N/A LYS 263.A N ALA 259.A O no hydrogen 3.041 N/A ALA 264.A N ALA 260.A O no hydrogen 3.162 N/A TYR 265.A N TYR 261.A O no hydrogen 2.983 N/A TYR 265.A OH LEU 157.A O no hydrogen 2.720 N/A HIS 266.A ND1 LYS 263.A O no hydrogen 2.889 N/A GLU 268.A N TYR 265.A O no hydrogen 2.920 N/A TYR 272.A N ALA 291.A O no hydrogen 2.791 N/A MET 274.A N ILE 293.A O no hydrogen 2.781 N/A GLN 278.A N PRO 275.A O no hydrogen 2.735 N/A ALA 284.A N ARG 281.A O no hydrogen 3.278 N/A VAL 285.A N THR 282.A O no hydrogen 3.114 N/A GLY 287.A N ASP 311.A OD2 no hydrogen 2.644 N/A SER 288.A N VAL 285.A O no hydrogen 2.989 N/A SER 288.A OG VAL 285.A O no hydrogen 2.872 N/A ASN 289.A N SER 338.A O no hydrogen 2.842 N/A ASN 289.A ND2 GLN 323.A OE1 no hydrogen 3.055 N/A ALA 290.A N SER 288.A OG no hydrogen 3.183 N/A ALA 291.A N PHE 270.A O no hydrogen 2.867 N/A HIS 292.A N ALA 309.A O no hydrogen 3.038 N/A ILE 293.A N TYR 272.A O no hydrogen 2.949 N/A ALA 294.A N ILE 307.A O no hydrogen 2.962 N/A ALA 296.A N VAL 305.A O no hydrogen 2.845 N/A ASP 298.A N THR 303.A O no hydrogen 2.689 N/A ALA 301.A N ASP 298.A O no hydrogen 3.291 N/A ALA 301.A N ASP 298.A OD1 no hydrogen 3.256 N/A GLN 302.A N GLU 299.A O no hydrogen 3.037 N/A THR 303.A N ASP 298.A O no hydrogen 2.920 N/A THR 303.A OG1 ALA 301.A O no hydrogen 2.861 N/A PHE 304.A N ALA 248.A O no hydrogen 2.724 N/A VAL 305.A N ALA 296.A O no hydrogen 2.960 N/A ALA 306.A N CYS 246.A O no hydrogen 2.806 N/A ILE 307.A N ALA 294.A O no hydrogen 2.781 N/A ALA 308.A N ALA 244.A O no hydrogen 2.977 N/A ALA 309.A N HIS 292.A O no hydrogen 2.798 N/A ILE 310.A N ILE 242.A O no hydrogen 3.105 N/A ASN 312.A ND2 SER 181.A OG no hydrogen 3.340 N/A LEU 313.A N ASP 311.A OD1 no hydrogen 2.792 N/A VAL 314.A N ASP 311.A O no hydrogen 3.055 N/A VAL 314.A N ASP 311.A OD1 no hydrogen 3.281 N/A LYS 315.A NZ GLU 131.A OE1 no hydrogen 2.934 N/A LYS 315.A NZ GLU 131.A OE2 no hydrogen 3.234 N/A LYS 315.A NZ GLN 323.A OE1 no hydrogen 2.724 N/A GLY 316.A N ASP 311.A O no hydrogen 3.243 N/A THR 317.A N VAL 314.A O no hydrogen 2.856 N/A THR 317.A OG1 ASN 312.A O no hydrogen 2.503 N/A ALA 318.A N LEU 313.A O no hydrogen 3.084 N/A GLY 319.A N VAL 314.A O no hydrogen 2.738 N/A ALA 320.A N VAL 314.A O no hydrogen 3.296 N/A ALA 321.A N THR 317.A O no hydrogen 2.991 N/A VAL 322.A N ALA 318.A O no hydrogen 3.003 N/A GLN 323.A N GLY 319.A O no hydrogen 2.721 N/A GLN 323.A NE2 GLU 131.A OE2 no hydrogen 3.128 N/A GLN 323.A NE2 GLU 333.A OE2 no hydrogen 2.739 N/A SER 324.A N ALA 320.A O no hydrogen 3.001 N/A SER 324.A OG ALA 320.A O no hydrogen 3.021 N/A MET 325.A N ALA 321.A O no hydrogen 2.952 N/A ASN 326.A N VAL 322.A O no hydrogen 2.896 N/A ASN 326.A ND2 GLU 333.A O no hydrogen 2.843 N/A ASN 326.A ND2 ASP 335.A O no hydrogen 2.819 N/A LEU 327.A N GLN 323.A O no hydrogen 3.284 N/A ALA 328.A N SER 324.A O no hydrogen 2.844 N/A LEU 329.A N ASN 326.A O no hydrogen 3.200 N/A GLY 330.A N LEU 327.A O no hydrogen 3.319 N/A TRP 331.A N ASN 326.A O no hydrogen 2.911 N/A ASP 335.A N PRO 332.A O no hydrogen 3.147 N/A LEU 337.A N THR 334.A O no hydrogen 3.205 N/A VAL 340.A N SER 338.A OG no hydrogen 2.987 N/A VAL 342.A N ILE 286.A O no hydrogen 2.751 N/A