Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jd2_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ILE 326.A O no hydrogen 3.254 N/A ALA 2.A N ILE 326.A O no hydrogen 3.096 N/A TYR 3.A OH ASP 321.A OD2 no hydrogen 2.449 N/A HIS 4.A N MET 324.A O no hydrogen 2.831 N/A SER 5.A OG LEU 7.A O no hydrogen 2.948 N/A LEU 7.A N GLY 322.A O no hydrogen 3.310 N/A GLU 9.A N GLU 9.A OE1 no hydrogen 2.843 N/A ILE 11.A N GLY 319.A O no hydrogen 3.142 N/A SER 12.A N CYS 26.A O no hydrogen 3.204 N/A CYS 13.A SG VAL 55.A O no hydrogen 3.633 N/A HIS 14.A ND1 THR 318.A OG1 no hydrogen 2.930 N/A HIS 14.A NE2 SER 303.A OG no hydrogen 2.675 N/A ALA 15.A N ALA 24.A O no hydrogen 2.869 N/A ASN 17.A N GLN 22.A O no hydrogen 3.158 N/A LYS 18.A NZ ASP 63.A OD1 no hydrogen 2.712 N/A ARG 20.A N ASN 17.A O no hydrogen 3.296 N/A ARG 20.A NE LEU 305.A O no hydrogen 2.779 N/A ARG 20.A NH1 ASN 17.A O no hydrogen 2.893 N/A ARG 20.A NH2 LEU 305.A O no hydrogen 3.395 N/A THR 21.A N ASP 19.A OD1 no hydrogen 3.420 N/A THR 21.A OG1 ASP 19.A OD1 no hydrogen 2.536 N/A GLN 22.A N ASN 17.A OD1 no hydrogen 2.941 N/A ILE 23.A N TYR 35.A O no hydrogen 3.027 N/A ALA 24.A N ALA 15.A O no hydrogen 2.752 N/A ILE 25.A N HIS 33.A O no hydrogen 2.833 N/A CYS 26.A N CYS 13.A O no hydrogen 3.265 N/A CYS 26.A SG ASN 29.A O no hydrogen 2.943 N/A CYS 26.A SG GLU 31.A O no hydrogen 3.492 N/A CYS 26.A SG VAL 55.A O no hydrogen 3.754 N/A ASN 28.A N CYS 26.A O no hydrogen 2.776 N/A GLU 31.A N ASN 29.A OD1 no hydrogen 2.833 N/A VAL 32.A N LEU 48.A O no hydrogen 3.345 N/A HIS 33.A N ILE 25.A O no hydrogen 2.743 N/A ILE 34.A N HIS 46.A O no hydrogen 2.991 N/A TYR 35.A N ILE 23.A O no hydrogen 2.893 N/A GLU 36.A N VAL 43.A O no hydrogen 2.728 N/A LYS 37.A N THR 21.A O no hydrogen 3.281 N/A SER 38.A N LYS 41.A O no hydrogen 2.766 N/A LYS 41.A N SER 38.A O no hydrogen 2.961 N/A VAL 43.A N GLU 36.A O no hydrogen 2.794 N/A VAL 45.A N ILE 34.A O no hydrogen 2.799 N/A HIS 46.A N ILE 34.A O no hydrogen 3.342 N/A LEU 48.A N VAL 32.A O no hydrogen 2.800 N/A HIS 51.A ND1 ASP 73.A OD1 no hydrogen 3.070 N/A HIS 51.A ND1 ASP 73.A OD2 no hydrogen 3.301 N/A HIS 51.A NE2 THR 69.A OG1 no hydrogen 2.644 N/A ASN 52.A N ASP 73.A OD2 no hydrogen 3.106 N/A VAL 55.A N ASN 29.A O no hydrogen 3.179 N/A THR 56.A N CYS 70.A O no hydrogen 2.815 N/A THR 56.A OG1 CYS 70.A O no hydrogen 3.484 N/A THR 56.A OG1 ALA 99.A O no hydrogen 2.881 N/A GLY 57.A N CYS 70.A O no hydrogen 3.146 N/A ASP 59.A N VAL 68.A O no hydrogen 2.987 N/A ALA 61.A N ARG 66.A O no hydrogen 2.856 N/A ASP 63.A N GLU 108.A OE2 no hydrogen 3.101 N/A SER 64.A N GLU 108.A OE1 no hydrogen 2.659 N/A SER 64.A OG GLU 108.A OE1 no hydrogen 2.604 N/A ARG 66.A N ALA 61.A O no hydrogen 3.412 N/A ARG 66.A NE SER 64.A OG no hydrogen 3.254 N/A ARG 66.A NH2 SER 64.A OG no hydrogen 3.297 N/A ILE 67.A N TRP 79.A O no hydrogen 3.272 N/A VAL 68.A N ASP 59.A O no hydrogen 2.885 N/A THR 69.A N TYR 77.A O no hydrogen 2.988 N/A THR 69.A OG1 HIS 51.A NE2 no hydrogen 2.644 N/A CYS 70.A N GLY 57.A O no hydrogen 3.049 N/A CYS 70.A SG THR 56.A OG1 no hydrogen 3.491 N/A GLY 71.A N ASN 75.A O no hydrogen 3.280 N/A THR 72.A N GLN 54.A O no hydrogen 2.828 N/A THR 72.A OG1 GLN 54.A O no hydrogen 3.350 N/A ARG 74.A NE ILE 95.A O no hydrogen 3.079 N/A ARG 74.A NH2 ILE 95.A O no hydrogen 3.460 N/A ASN 75.A N ASP 73.A OD1 no hydrogen 3.492 N/A ASN 75.A ND2 ASP 73.A OD2 no hydrogen 3.495 N/A TYR 77.A N THR 69.A O no hydrogen 3.120 N/A VAL 78.A N THR 89.A O no hydrogen 3.023 N/A TRP 79.A N ILE 67.A O no hydrogen 2.527 N/A TRP 79.A NE1 THR 69.A OG1 no hydrogen 3.036 N/A THR 80.A N LYS 87.A O no hydrogen 2.941 N/A LYS 82.A N THR 85.A O no hydrogen 2.844 N/A THR 85.A N LYS 82.A O no hydrogen 3.175 N/A LYS 87.A N THR 80.A O no hydrogen 2.891 N/A THR 89.A N VAL 78.A O no hydrogen 2.962 N/A VAL 91.A N ALA 76.A O no hydrogen 2.787 N/A ARG 94.A NH2 CYS 134.A O no hydrogen 2.893 N/A ASN 96.A N SER 117.A OG no hydrogen 3.147 N/A ARG 97.A NH1 ASN 96.A O no hydrogen 2.661 N/A ALA 99.A N GLY 71.A O no hydrogen 3.130 N/A ARG 100.A N GLY 114.A O no hydrogen 2.793 N/A ARG 100.A NH1 ARG 100.A O no hydrogen 2.985 N/A CYS 101.A N GLY 114.A O no hydrogen 3.391 N/A CYS 101.A SG VAL 145.A O no hydrogen 3.752 N/A ARG 103.A N ALA 112.A O no hydrogen 3.138 N/A TRP 104.A N ASP 59.A OD2 no hydrogen 2.758 N/A ALA 105.A N LYS 110.A O no hydrogen 2.913 N/A ASN 107.A N SER 154.A OG no hydrogen 2.951 N/A GLU 108.A N ALA 105.A O no hydrogen 3.027 N/A LYS 110.A NZ SER 154.A O no hydrogen 3.028 N/A LYS 110.A NZ ALA 171.A O no hydrogen 2.526 N/A LYS 110.A NZ GLU 177.A OE1 no hydrogen 2.503 N/A LYS 110.A NZ GLU 177.A OE2 no hydrogen 3.309 N/A PHE 111.A N CYS 123.A O no hydrogen 3.007 N/A ALA 112.A N ARG 103.A O no hydrogen 3.103 N/A VAL 113.A N SER 121.A O no hydrogen 2.802 N/A GLY 114.A N CYS 101.A O no hydrogen 2.968 N/A SER 115.A OG VAL 119.A O no hydrogen 2.985 N/A GLY 116.A N ALA 98.A O no hydrogen 2.969 N/A SER 117.A OG ASN 96.A OD1 no hydrogen 2.730 N/A ILE 120.A N ILE 137.A O no hydrogen 3.138 N/A SER 121.A N VAL 113.A O no hydrogen 2.857 N/A SER 121.A OG HIS 136.A NE2 no hydrogen 3.012 N/A ILE 122.A N LYS 135.A O no hydrogen 2.680 N/A CYS 123.A N PHE 111.A O no hydrogen 2.851 N/A TYR 124.A N VAL 133.A O no hydrogen 2.859 N/A GLU 126.A N TRP 131.A O no hydrogen 2.836 N/A ASN 129.A ND2 GLU 126.A OE2 no hydrogen 2.818 N/A TRP 131.A N GLU 126.A O no hydrogen 3.210 N/A VAL 133.A N TYR 124.A O no hydrogen 2.871 N/A CYS 134.A SG ILE 92.A O no hydrogen 3.479 N/A CYS 134.A SG LEU 93.A O no hydrogen 3.532 N/A CYS 134.A SG HIS 136.A NE2 no hydrogen 4.034 N/A LYS 135.A N ILE 122.A O no hydrogen 2.893 N/A LYS 135.A NZ GLU 175.A OE2 no hydrogen 2.900 N/A HIS 136.A NE2 LEU 93.A O no hydrogen 2.832 N/A ILE 137.A N ILE 120.A O no hydrogen 2.844 N/A ILE 141.A N LYS 138.A O no hydrogen 3.021 N/A ARG 142.A N ASP 163.A OD2 no hydrogen 3.053 N/A VAL 145.A N SER 115.A O no hydrogen 3.090 N/A LEU 146.A N GLY 160.A O no hydrogen 2.828 N/A SER 147.A OG HIS 206.A O no hydrogen 3.418 N/A ASP 149.A N ALA 158.A O no hydrogen 3.342 N/A TRP 150.A NE1 ARG 103.A O no hydrogen 2.773 N/A HIS 151.A N LEU 156.A O no hydrogen 2.938 N/A ASN 153.A N HIS 151.A ND1 no hydrogen 3.352 N/A SER 154.A N HIS 151.A O no hydrogen 2.981 N/A VAL 155.A N ASN 153.A OD1 no hydrogen 2.757 N/A LEU 156.A N ASN 153.A OD1 no hydrogen 3.153 N/A LEU 157.A N PHE 169.A O no hydrogen 2.748 N/A ALA 158.A N ASP 149.A O no hydrogen 2.949 N/A ALA 159.A N ARG 167.A O no hydrogen 2.857 N/A GLY 160.A N SER 147.A O no hydrogen 3.080 N/A SER 161.A N LYS 165.A O no hydrogen 3.203 N/A SER 161.A OG ASP 163.A OD1 no hydrogen 2.644 N/A SER 161.A OG LYS 165.A O no hydrogen 3.257 N/A CYS 162.A N THR 144.A O no hydrogen 2.912 N/A PHE 164.A N SER 161.A O no hydrogen 3.252 N/A LYS 165.A NZ SER 198.A O no hydrogen 3.245 N/A LYS 165.A NZ SER 200.A O no hydrogen 3.033 N/A CYS 166.A N SER 198.A OG no hydrogen 3.159 N/A ARG 167.A N ALA 159.A O no hydrogen 3.003 N/A ARG 167.A NE GLU 197.A OE2 no hydrogen 2.672 N/A ARG 167.A NH1 ASP 163.A OD1 no hydrogen 3.383 N/A ARG 167.A NH1 ASP 163.A OD2 no hydrogen 3.035 N/A ARG 167.A NH2 ASP 163.A OD2 no hydrogen 2.777 N/A ILE 168.A N PHE 196.A O no hydrogen 2.955 N/A PHE 169.A N LEU 157.A O no hydrogen 2.847 N/A SER 170.A N GLU 193.A O no hydrogen 2.919 N/A SER 170.A OG MET 189.A O no hydrogen 2.749 N/A SER 170.A OG PRO 190.A O no hydrogen 3.085 N/A ALA 171.A N VAL 155.A O no hydrogen 2.667 N/A TYR 172.A N SER 170.A OG no hydrogen 3.332 N/A ILE 173.A N GLU 177.A OE1 no hydrogen 2.947 N/A VAL 176.A N ILE 173.A O no hydrogen 3.083 N/A THR 183.A N GLY 186.A O no hydrogen 3.073 N/A TRP 185.A NE1 GLY 214.A O no hydrogen 2.864 N/A GLY 186.A N THR 183.A O no hydrogen 2.905 N/A GLY 192.A N SER 170.A O no hydrogen 2.734 N/A GLU 193.A N PRO 190.A O no hydrogen 3.124 N/A MET 195.A N ILE 168.A O no hydrogen 2.673 N/A PHE 196.A N ILE 168.A O no hydrogen 3.454 N/A SER 198.A N CYS 166.A O no hydrogen 2.863 N/A SER 200.A OG CYS 202.A O no hydrogen 3.020 N/A CYS 202.A SG ASP 223.A OD2 no hydrogen 3.694 N/A VAL 205.A N SER 161.A O no hydrogen 3.228 N/A HIS 206.A N VAL 220.A O no hydrogen 2.944 N/A HIS 206.A NE2 HIS 222.A ND1 no hydrogen 3.185 N/A CYS 209.A N ALA 218.A O no hydrogen 2.868 N/A CYS 209.A SG ASP 149.A OD1 no hydrogen 3.807 N/A CYS 209.A SG PHE 210.A O no hydrogen 3.452 N/A PHE 210.A N ASP 149.A OD2 no hydrogen 3.401 N/A SER 211.A N ARG 216.A O no hydrogen 2.678 N/A SER 211.A OG ASN 213.A OD1 no hydrogen 2.953 N/A SER 211.A OG GLU 255.A OE1 no hydrogen 3.566 N/A SER 211.A OG GLU 255.A OE2 no hydrogen 3.178 N/A ASN 213.A N GLU 255.A OE1 no hydrogen 3.394 N/A GLY 214.A N SER 211.A O no hydrogen 2.998 N/A SER 215.A N ASN 213.A OD1 no hydrogen 3.060 N/A SER 215.A OG ASN 213.A OD1 no hydrogen 2.811 N/A ARG 216.A N SER 211.A OG no hydrogen 3.191 N/A ARG 216.A NH1 GLU 255.A O no hydrogen 2.851 N/A VAL 217.A N ALA 229.A O no hydrogen 2.913 N/A ALA 218.A N CYS 209.A O no hydrogen 2.861 N/A TRP 219.A N CYS 227.A O no hydrogen 2.897 N/A VAL 220.A N GLY 207.A O no hydrogen 3.163 N/A SER 221.A N THR 225.A O no hydrogen 3.189 N/A HIS 222.A ND1 HIS 206.A NE2 no hydrogen 3.185 N/A SER 224.A OG THR 244.A O no hydrogen 2.789 N/A THR 225.A OG1 ASP 223.A OD1 no hydrogen 2.849 N/A VAL 226.A N LEU 240.A O no hydrogen 3.049 N/A CYS 227.A N TRP 219.A O no hydrogen 2.772 N/A CYS 227.A SG THR 239.A OG1 no hydrogen 3.479 N/A LEU 228.A N ALA 238.A O no hydrogen 2.914 N/A ALA 229.A N VAL 217.A O no hydrogen 2.801 N/A ALA 231.A N SER 215.A O no hydrogen 3.030 N/A LYS 233.A N ASP 230.A O no hydrogen 3.040 N/A LYS 233.A NZ SER 274.A O no hydrogen 3.344 N/A ALA 236.A N LYS 233.A O no hydrogen 3.159 N/A ALA 238.A N LEU 228.A O no hydrogen 2.707 N/A LEU 240.A N VAL 226.A O no hydrogen 3.013 N/A SER 242.A N SER 224.A O no hydrogen 2.715 N/A SER 242.A OG THR 244.A OG1 no hydrogen 3.023 N/A THR 244.A N SER 242.A OG no hydrogen 3.052 N/A THR 244.A OG1 SER 242.A OG no hydrogen 3.023 N/A THR 244.A OG1 LEU 245.A O no hydrogen 3.545 N/A THR 244.A OG1 ASP 264.A OD2 no hydrogen 2.596 N/A LEU 245.A N ASP 264.A OD1 no hydrogen 3.196 N/A LEU 248.A N ALA 261.A O no hydrogen 2.730 N/A ALA 249.A N ALA 261.A O no hydrogen 2.929 N/A THR 251.A N VAL 259.A O no hydrogen 2.930 N/A THR 251.A OG1 PHE 252.A O no hydrogen 2.938 N/A ILE 253.A N SER 257.A O no hydrogen 2.961 N/A THR 254.A OG1 SER 257.A OG no hydrogen 3.300 N/A SER 256.A N THR 254.A OG1 no hydrogen 3.084 N/A SER 256.A OG VAL 342.A O no hydrogen 3.405 N/A SER 257.A N THR 254.A O no hydrogen 3.506 N/A SER 257.A OG THR 254.A OG1 no hydrogen 3.300 N/A LEU 258.A N PHE 270.A O no hydrogen 2.639 N/A VAL 259.A N THR 251.A O no hydrogen 2.892 N/A ALA 260.A N VAL 268.A O no hydrogen 2.901 N/A ALA 261.A N ALA 249.A O no hydrogen 2.905 N/A HIS 263.A N PRO 246.A O no hydrogen 3.166 N/A CYS 265.A N GLY 262.A O no hydrogen 3.172 N/A CYS 265.A SG HIS 263.A O no hydrogen 3.473 N/A VAL 268.A N ALA 260.A O no hydrogen 2.796 N/A LEU 269.A N GLY 283.A O no hydrogen 2.933 N/A PHE 270.A N LEU 258.A O no hydrogen 2.713 N/A THR 271.A N SER 280.A O no hydrogen 2.888 N/A TYR 272.A N SER 256.A O no hydrogen 2.672 N/A TYR 272.A OH ASP 230.A OD1 no hydrogen 2.877 N/A ASP 273.A N LYS 278.A O no hydrogen 3.259 N/A ALA 276.A N ASP 273.A OD1 no hydrogen 3.093 N/A GLY 277.A N ASP 273.A O no hydrogen 2.992 N/A SER 280.A N THR 271.A O no hydrogen 2.881 N/A GLY 282.A N LEU 269.A O no hydrogen 2.774 N/A ARG 284.A NH1 ASP 286.A O no hydrogen 2.778 N/A ARG 284.A NH2 ASP 292.A OD1 no hydrogen 3.309 N/A ARG 284.A NH2 ASP 292.A OD2 no hydrogen 3.330 N/A LEU 285.A N PRO 267.A O no hydrogen 3.128 N/A SER 293.A OG HIS 295.A O no hydrogen 2.856 N/A LEU 294.A N ASP 286.A OD2 no hydrogen 2.986 N/A HIS 295.A ND1 ASP 321.A OD1 no hydrogen 3.058 N/A HIS 295.A NE2 THR 317.A OG1 no hydrogen 2.714 N/A LYS 296.A N ASP 321.A OD2 no hydrogen 3.236 N/A LYS 296.A NZ LEU 291.A O no hydrogen 3.282 N/A LYS 296.A NZ SER 293.A O no hydrogen 3.001 N/A SER 298.A N ASN 297.A OD1 no hydrogen 2.778 N/A SER 298.A OG HIS 263.A ND1 no hydrogen 2.823 N/A VAL 299.A N GLY 262.A O no hydrogen 2.930 N/A SER 300.A N THR 318.A O no hydrogen 3.108 N/A SER 300.A OG ILE 11.A O no hydrogen 3.455 N/A SER 300.A OG THR 318.A O no hydrogen 3.281 N/A GLN 301.A N THR 318.A O no hydrogen 3.375 N/A SER 303.A N CYS 316.A O no hydrogen 2.801 N/A SER 303.A OG HIS 14.A NE2 no hydrogen 2.675 N/A LEU 305.A N GLN 314.A O no hydrogen 2.858 N/A SER 306.A N GLN 314.A O no hydrogen 3.322 N/A SER 306.A OG SER 313.A OG no hydrogen 2.954 N/A LYS 309.A NZ ASP 149.A OD2 no hydrogen 3.039 N/A LYS 309.A NZ PHE 210.A O no hydrogen 2.734 N/A LYS 311.A N GLY 307.A O no hydrogen 3.189 N/A CYS 312.A N ILE 253.A O no hydrogen 2.829 N/A CYS 312.A SG SER 306.A O no hydrogen 3.811 N/A CYS 312.A SG GLN 314.A O no hydrogen 3.118 N/A SER 313.A N SER 306.A O no hydrogen 3.055 N/A SER 313.A OG SER 306.A O no hydrogen 3.404 N/A SER 313.A OG SER 306.A OG no hydrogen 2.954 N/A PHE 315.A N TRP 327.A O no hydrogen 2.936 N/A CYS 316.A N SER 303.A O no hydrogen 2.598 N/A CYS 316.A SG HIS 14.A NE2 no hydrogen 3.422 N/A THR 317.A N SER 325.A O no hydrogen 2.870 N/A THR 317.A OG1 HIS 295.A NE2 no hydrogen 2.714 N/A THR 318.A N GLN 301.A O no hydrogen 3.161 N/A THR 318.A OG1 HIS 14.A ND1 no hydrogen 2.930 N/A GLY 319.A N GLY 323.A O no hydrogen 3.151 N/A MET 320.A N SER 298.A O no hydrogen 2.750 N/A GLY 322.A N GLY 319.A O no hydrogen 3.175 N/A GLY 323.A N ASP 321.A OD1 no hydrogen 3.290 N/A MET 324.A N HIS 4.A O no hydrogen 2.871 N/A SER 325.A N THR 317.A O no hydrogen 2.798 N/A SER 325.A OG HIS 295.A NE2 no hydrogen 3.074 N/A ILE 326.A N ALA 2.A O no hydrogen 2.982 N/A TRP 327.A N PHE 315.A O no hydrogen 2.853 N/A TRP 327.A NE1 THR 317.A OG1 no hydrogen 2.976 N/A VAL 329.A N SER 313.A O no hydrogen 2.647 N/A SER 331.A OG ASP 328.A OD1 no hydrogen 3.039 N/A LEU 332.A N ASP 328.A O no hydrogen 3.093 N/A GLU 333.A N VAL 329.A O no hydrogen 2.925 N/A SER 334.A N ARG 330.A O no hydrogen 3.043 N/A SER 334.A OG ARG 330.A O no hydrogen 3.414 N/A ALA 335.A N SER 331.A O no hydrogen 3.178 N/A LEU 336.A N LEU 332.A O no hydrogen 3.044 N/A VAL 342.A N SER 257.A OG no hydrogen 2.511 N/A