Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mya_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N ASN 1.A O no hydrogen 3.197 N/A GLU 5.A N ASN 1.A O no hydrogen 3.359 N/A SER 6.A N ALA 2.A O no hydrogen 3.179 N/A SER 6.A OG ALA 2.A O no hydrogen 3.409 N/A SER 6.A OG MET 3.A O no hydrogen 3.275 N/A VAL 9.A N SER 6.A O no hydrogen 3.154 N/A LEU 13.A N THR 197.A OG1 no hydrogen 2.724 N/A THR 14.A N ASP 17.A OD2 no hydrogen 2.779 N/A ASP 17.A N THR 14.A O no hydrogen 2.974 N/A VAL 18.A N PHE 15.A O no hydrogen 3.360 N/A LEU 19.A N ILE 325.A O no hydrogen 2.936 N/A VAL 21.A N GLN 323.A O no hydrogen 2.849 N/A ALA 23.A N TYR 309.A O no hydrogen 2.963 N/A SER 25.A OG VAL 27.A O no hydrogen 3.087 N/A SER 25.A OG GLY 308.A O no hydrogen 2.879 N/A VAL 27.A N SER 25.A OG no hydrogen 3.164 N/A LEU 28.A N GLU 31.A OE1 no hydrogen 2.855 N/A GLU 31.A N LEU 28.A O no hydrogen 2.904 N/A VAL 32.A N PRO 29.A O no hydrogen 3.356 N/A SER 33.A N GLN 313.A O no hydrogen 2.817 N/A LYS 35.A N SER 33.A OG no hydrogen 3.315 N/A THR 36.A N LEU 44.A O no hydrogen 2.814 N/A THR 36.A OG1 HIS 234.A O no hydrogen 3.403 N/A LEU 38.A N LEU 42.A O no hydrogen 2.918 N/A SER 39.A N LEU 42.A O no hydrogen 3.280 N/A SER 39.A OG ASN 150.A OD1 no hydrogen 2.593 N/A SER 41.A N SER 39.A OG no hydrogen 3.160 N/A LEU 42.A N SER 39.A O no hydrogen 3.112 N/A GLN 43.A NE2 GLU 40.A O no hydrogen 3.185 N/A LEU 44.A N THR 36.A O no hydrogen 2.803 N/A ILE 46.A N GLY 69.A O no hydrogen 3.071 N/A LEU 48.A N ILE 46.A O no hydrogen 2.905 N/A ILE 49.A N VAL 236.A O no hydrogen 2.882 N/A SER 50.A N LEU 71.A O no hydrogen 2.960 N/A SER 50.A OG THR 57.A OG1 no hydrogen 2.828 N/A ALA 51.A N LEU 238.A O no hydrogen 2.997 N/A MET 53.A N ALA 51.A O no hydrogen 2.874 N/A VAL 56.A N MET 53.A O no hydrogen 2.966 N/A THR 57.A N MET 53.A O no hydrogen 3.109 N/A THR 57.A OG1 SER 50.A OG no hydrogen 2.828 N/A THR 57.A OG1 ALA 51.A O no hydrogen 2.735 N/A ALA 59.A N GLN 86.A OE1 no hydrogen 2.837 N/A ALA 62.A N GLU 58.A O no hydrogen 3.039 N/A ILE 63.A N ALA 59.A O no hydrogen 2.818 N/A ALA 64.A N ASP 60.A O no hydrogen 3.085 N/A MET 65.A N MET 61.A O no hydrogen 2.712 N/A ALA 66.A N ALA 62.A O no hydrogen 2.910 N/A ARG 67.A N ILE 63.A O no hydrogen 3.050 N/A GLN 68.A N ALA 64.A O no hydrogen 3.185 N/A GLN 68.A N MET 65.A O no hydrogen 3.163 N/A GLY 69.A N ALA 66.A O no hydrogen 2.916 N/A GLY 70.A N MET 65.A O no hydrogen 2.869 N/A LEU 71.A N LEU 48.A O no hydrogen 3.188 N/A ILE 73.A N SER 50.A O no hydrogen 3.320 N/A ILE 74.A N GLY 99.A O no hydrogen 2.892 N/A HIS 75.A N THR 57.A O no hydrogen 3.391 N/A HIS 75.A NE2 GLU 58.A OE2 no hydrogen 2.953 N/A LYS 76.A NZ ASP 126.A O no hydrogen 3.516 N/A ASN 77.A N HIS 75.A ND1 no hydrogen 2.979 N/A ASN 77.A ND2 ASP 54.A OD2 no hydrogen 3.224 N/A SER 79.A N GLN 82.A OE1 no hydrogen 2.868 N/A GLN 82.A N SER 79.A OG no hydrogen 3.076 N/A GLN 83.A N SER 79.A O no hydrogen 3.018 N/A GLN 83.A NE2 ILE 74.A O no hydrogen 3.176 N/A GLN 83.A NE2 ALA 101.A O no hydrogen 2.834 N/A ALA 84.A N ILE 80.A O no hydrogen 2.994 N/A GLU 85.A N GLU 81.A O no hydrogen 3.006 N/A GLN 86.A N GLN 82.A O no hydrogen 2.983 N/A VAL 87.A N GLN 83.A O no hydrogen 2.999 N/A ASP 88.A N ALA 84.A O no hydrogen 2.956 N/A LYS 89.A N GLU 85.A O no hydrogen 2.896 N/A LYS 89.A NZ ASP 60.A OD1 no hydrogen 3.437 N/A VAL 90.A N GLN 86.A O no hydrogen 3.185 N/A LYS 91.A N VAL 87.A O no hydrogen 2.994 N/A LYS 91.A NZ GLY 95.A O no hydrogen 3.363 N/A LYS 91.A NZ LEU 96.A O no hydrogen 2.665 N/A LYS 91.A NZ ASP 121.A OD1 no hydrogen 3.467 N/A LYS 91.A NZ ASP 121.A OD2 no hydrogen 2.774 N/A ARG 92.A N ASP 88.A O no hydrogen 2.925 N/A ARG 92.A NH1 ASP 88.A OD2 no hydrogen 2.905 N/A SER 93.A N.A VAL 90.A O no hydrogen 3.011 N/A SER 93.A N.B VAL 90.A O no hydrogen 3.016 N/A SER 93.A OG.A LYS 89.A O no hydrogen 2.766 N/A SER 93.A OG.B SER 93.A O.B no hydrogen 2.519 N/A GLY 95.A N LYS 91.A O no hydrogen 2.691 N/A VAL 98.A N ASP 121.A OD2 no hydrogen 2.908 N/A GLY 99.A N GLY 72.A O no hydrogen 2.976 N/A ALA 100.A N ALA 122.A O no hydrogen 3.037 N/A ALA 101.A N ILE 74.A O no hydrogen 2.871 N/A VAL 102.A N VAL 124.A O no hydrogen 2.762 N/A THR 105.A OG1 ASP 107.A OD1 no hydrogen 2.488 N/A ALA 108.A N THR 105.A O no hydrogen 3.234 N/A ARG 111.A N ASP 107.A O no hydrogen 2.969 N/A ARG 111.A NH1 MET 78.A O no hydrogen 3.176 N/A ARG 111.A NH1 GLN 83.A OE1 no hydrogen 2.941 N/A ARG 111.A NH2 MET 78.A O no hydrogen 2.920 N/A ILE 112.A N ALA 108.A O no hydrogen 2.790 N/A ASP 113.A N MET 109.A O no hydrogen 2.770 N/A ALA 114.A N THR 110.A O no hydrogen 3.316 N/A LEU 115.A N ARG 111.A O no hydrogen 3.112 N/A VAL 116.A N ILE 112.A O no hydrogen 2.859 N/A LYS 117.A N ASP 113.A O no hydrogen 3.036 N/A ALA 118.A N ALA 114.A O no hydrogen 3.038 N/A SER 119.A N VAL 116.A O no hydrogen 3.020 N/A VAL 120.A N LEU 115.A O no hydrogen 3.092 N/A ASP 121.A N VAL 98.A O no hydrogen 2.891 N/A ILE 123.A N ASN 150.A O no hydrogen 2.962 N/A VAL 124.A N ALA 100.A O no hydrogen 2.804 N/A LEU 125.A N ILE 152.A O no hydrogen 2.836 N/A ASP 126.A N VAL 102.A O no hydrogen 2.938 N/A THR 127.A N GLY 154.A O no hydrogen 3.146 N/A THR 127.A OG1 GLY 154.A O no hydrogen 2.796 N/A GLY 130.A N ASN 155.A O no hydrogen 2.816 N/A SER 132.A OG HIS 129.A O no hydrogen 3.053 N/A GLN 133.A NE2 ASP 137.A OD1 no hydrogen 2.953 N/A ILE 136.A N SER 132.A O no hydrogen 3.131 N/A ASP 137.A N GLN 133.A O no hydrogen 2.887 N/A LYS 138.A N GLY 134.A O no hydrogen 3.010 N/A LYS 138.A NZ THR 105.A O no hydrogen 3.304 N/A LYS 138.A NZ GLU 141.A OE1 no hydrogen 3.520 N/A VAL 139.A N VAL 135.A O no hydrogen 2.846 N/A LYS 140.A N ILE 136.A O no hydrogen 2.988 N/A GLU 141.A N ASP 137.A O no hydrogen 3.005 N/A VAL 142.A N LYS 138.A O no hydrogen 2.911 N/A ARG 143.A N VAL 139.A O no hydrogen 2.885 N/A ARG 143.A NE GLY 169.A O no hydrogen 2.990 N/A ARG 143.A NH1 TYR 146.A O no hydrogen 2.948 N/A ARG 143.A NH1 LEU 149.A O no hydrogen 2.760 N/A ARG 143.A NH2 LEU 149.A O no hydrogen 3.171 N/A ARG 143.A NH2 GLY 169.A O no hydrogen 2.899 N/A ARG 143.A NH2 ASN 171.A OD1 no hydrogen 3.034 N/A ALA 144.A N LYS 140.A O no hydrogen 2.994 N/A LYS 145.A N GLU 141.A O no hydrogen 3.170 N/A LYS 145.A NZ ASP 113.A OD1 no hydrogen 2.846 N/A LYS 145.A NZ ASP 113.A OD2 no hydrogen 3.189 N/A TYR 146.A N VAL 142.A O no hydrogen 2.782 N/A TYR 146.A OH ASP 113.A OD1 no hydrogen 2.553 N/A LEU 149.A N TYR 146.A O no hydrogen 3.221 N/A ASN 150.A ND2 SER 41.A OG no hydrogen 2.807 N/A ASN 150.A ND2 ASP 121.A O no hydrogen 3.081 N/A ILE 151.A N ASN 171.A OD1 no hydrogen 2.734 N/A ILE 152.A N ILE 123.A O no hydrogen 2.839 N/A ALA 153.A N VAL 172.A O no hydrogen 2.973 N/A GLY 154.A N LEU 125.A O no hydrogen 3.273 N/A ASN 155.A N THR 127.A O no hydrogen 3.111 N/A ASN 155.A ND2 GLY 176.A O no hydrogen 2.915 N/A ASN 155.A ND2 ASP 216.A OD2 no hydrogen 2.995 N/A VAL 156.A N LYS 174.A O no hydrogen 3.061 N/A ALA 161.A N THR 158.A OG1 no hydrogen 3.134 N/A THR 162.A N THR 158.A O no hydrogen 3.039 N/A THR 162.A OG1 THR 158.A O no hydrogen 2.969 N/A LYS 163.A N ALA 159.A O no hydrogen 2.859 N/A LYS 163.A NZ GLU 167.A OE2 no hydrogen 3.128 N/A ALA 164.A N GLU 160.A O.A no hydrogen 2.921 N/A ALA 164.A N GLU 160.A O.B no hydrogen 2.963 N/A LEU 165.A N ALA 161.A O no hydrogen 2.990 N/A ILE 166.A N THR 162.A O no hydrogen 3.035 N/A GLU 167.A N LYS 163.A O no hydrogen 2.925 N/A ALA 168.A N ALA 164.A O no hydrogen 3.089 N/A GLY 169.A N LEU 165.A O no hydrogen 3.085 N/A GLY 169.A N ILE 166.A O no hydrogen 3.016 N/A ALA 170.A N LEU 165.A O no hydrogen 2.999 N/A ASN 171.A N ILE 151.A O no hydrogen 3.031 N/A ASN 171.A ND2 ASN 150.A OD1 no hydrogen 3.100 N/A VAL 172.A N ILE 151.A O no hydrogen 3.198 N/A VAL 173.A N PRO 212.A O no hydrogen 3.228 N/A LYS 174.A N ALA 153.A O no hydrogen 2.864 N/A LYS 174.A NZ ASP 126.A OD1 no hydrogen 3.143 N/A LYS 174.A NZ ASN 155.A OD1 no hydrogen 2.713 N/A LYS 174.A NZ ASP 216.A OD2 no hydrogen 3.013 N/A VAL 175.A N ILE 214.A O no hydrogen 2.839 N/A GLY 176.A N VAL 156.A O no hydrogen 2.878 N/A CYS 183.A N GLY 180.A O no hydrogen 2.986 N/A CYS 183.A SG THR 185.A OG1 no hydrogen 3.422 N/A THR 184.A N GLU 280.A O no hydrogen 2.843 N/A THR 185.A OG1 GLU 280.A OE2 no hydrogen 2.849 N/A ARG 186.A NE ILE 177.A O no hydrogen 3.369 N/A ARG 186.A NH2 ILE 177.A O no hydrogen 3.133 N/A VAL 187.A N THR 184.A O no hydrogen 2.969 N/A VAL 188.A N THR 184.A O no hydrogen 2.794 N/A ALA 189.A N THR 185.A O no hydrogen 2.813 N/A GLY 190.A N THR 185.A O no hydrogen 3.321 N/A VAL 193.A N ILE 177.A O no hydrogen 3.460 N/A GLN 195.A NE2 VAL 175.A O no hydrogen 3.170 N/A THR 197.A N LEU 13.A O no hydrogen 3.106 N/A ALA 198.A N PRO 194.A O no hydrogen 3.000 N/A VAL 199.A N GLN 195.A O no hydrogen 2.937 N/A TYR 200.A N LEU 196.A O no hydrogen 2.976 N/A ASP 201.A N THR 197.A O no hydrogen 2.857 N/A CYS 202.A N ALA 198.A O no hydrogen 2.941 N/A CYS 202.A SG THR 158.A O no hydrogen 3.470 N/A CYS 202.A SG THR 162.A OG1 no hydrogen 3.210 N/A CYS 202.A SG ALA 198.A O no hydrogen 3.233 N/A ALA 203.A N VAL 199.A O no hydrogen 2.741 N/A THR 204.A N TYR 200.A O no hydrogen 2.883 N/A THR 204.A OG1 TYR 200.A O no hydrogen 2.684 N/A GLU 205.A N ASP 201.A O no hydrogen 3.391 N/A ALA 206.A N CYS 202.A O no hydrogen 2.863 N/A ARG 207.A N.A ALA 203.A O no hydrogen 2.849 N/A ARG 207.A N.B ALA 203.A O no hydrogen 2.869 N/A ARG 207.A NE.A GLU 320.A OE2 no hydrogen 3.469 N/A ARG 207.A NH1.A GLU 320.A OE1 no hydrogen 2.872 N/A ARG 207.A NH1.B GLU 320.A OE1 no hydrogen 2.997 N/A ARG 207.A NH2.B GLU 320.A OE2 no hydrogen 2.217 N/A LYS 208.A N GLU 205.A O no hydrogen 2.988 N/A HIS 209.A N ALA 206.A O no hydrogen 2.870 N/A HIS 209.A NE2 GLU 205.A OE2 no hydrogen 3.001 N/A GLY 210.A N ARG 207.A O.A no hydrogen 3.066 N/A GLY 210.A N ARG 207.A O.B no hydrogen 3.120 N/A ILE 211.A N ALA 206.A O no hydrogen 2.971 N/A ILE 214.A N VAL 173.A O no hydrogen 2.897 N/A ALA 215.A N VAL 235.A O no hydrogen 2.904 N/A ASP 216.A N VAL 175.A O no hydrogen 2.917 N/A GLY 217.A N MET 237.A O no hydrogen 3.454 N/A LYS 220.A N ASP 224.A OD2 no hydrogen 2.928 N/A TYR 221.A N ASP 224.A OD2 no hydrogen 3.333 N/A ASP 224.A N TYR 221.A O no hydrogen 2.935 N/A VAL 226.A N SER 222.A O no hydrogen 3.237 N/A LYS 227.A N GLY 223.A O no hydrogen 3.021 N/A LYS 227.A NZ PHE 15.A O no hydrogen 2.905 N/A LYS 227.A NZ VAL 18.A O no hydrogen 2.923 N/A ALA 228.A N ASP 224.A O no hydrogen 2.880 N/A LEU 229.A N MET 225.A O no hydrogen 3.031 N/A ALA 230.A N VAL 226.A O no hydrogen 2.912 N/A ALA 231.A N LYS 227.A O no hydrogen 2.861 N/A GLY 232.A N LEU 229.A O no hydrogen 2.955 N/A ALA 233.A N ALA 228.A O no hydrogen 3.281 N/A HIS 234.A N VAL 213.A O no hydrogen 2.958 N/A VAL 236.A N PRO 47.A O no hydrogen 3.066 N/A MET 237.A N ALA 215.A O no hydrogen 2.861 N/A LEU 238.A N ILE 49.A O no hydrogen 2.931 N/A PHE 242.A N GLY 239.A O no hydrogen 2.981 N/A ALA 243.A N GLY 239.A O no hydrogen 2.914 N/A VAL 245.A N PHE 242.A O no hydrogen 3.273 N/A ALA 246.A N GLY 290.A O no hydrogen 2.767 N/A SER 248.A N VAL 245.A O no hydrogen 3.130 N/A SER 248.A OG VAL 245.A O no hydrogen 2.946 N/A GLU 253.A N PHE 260.A O no hydrogen 2.738 N/A TYR 255.A N ARG 258.A O no hydrogen 2.962 N/A ARG 258.A N TYR 255.A O no hydrogen 3.173 N/A PHE 260.A N GLU 253.A O no hydrogen 2.730 N/A LYS 261.A N VAL 286.A O no hydrogen 2.900 N/A LYS 261.A NZ VAL 245.A O no hydrogen 3.477 N/A LYS 261.A NZ SER 248.A O no hydrogen 2.895 N/A LYS 261.A NZ SER 248.A OG no hydrogen 3.052 N/A LYS 261.A NZ GLY 250.A O no hydrogen 3.136 N/A TYR 263.A N GLY 284.A O no hydrogen 2.876 N/A ARG 264.A N THR 55.A OG1 no hydrogen 3.323 N/A ARG 264.A NE ASP 54.A OD1 no hydrogen 3.093 N/A ARG 264.A NH2 ASP 54.A OD2 no hydrogen 2.735 N/A GLY 265.A N ILE 282.A O no hydrogen 2.881 N/A SER 268.A N GLY 265.A O no hydrogen 3.154 N/A SER 268.A OG GLY 265.A O no hydrogen 2.741 N/A GLY 270.A N GLU 283.A OE1.A no hydrogen 2.967 N/A MET 272.A N SER 268.A O no hydrogen 3.035 N/A GLU 273.A N VAL 269.A O no hydrogen 3.066 N/A LYS 274.A N GLY 270.A O no hydrogen 3.295 N/A GLU 280.A N GLY 267.A O no hydrogen 2.970 N/A ILE 282.A N ILE 182.A O no hydrogen 2.982 N/A GLY 284.A N TYR 263.A O no hydrogen 2.732 N/A VAL 286.A N LYS 261.A O no hydrogen 2.833 N/A TYR 288.A N GLN 259.A O no hydrogen 2.798 N/A LYS 289.A N GLY 244.A O no hydrogen 2.783 N/A LYS 289.A NZ SER 240.A O no hydrogen 2.921 N/A LYS 289.A NZ ALA 243.A O no hydrogen 2.455 N/A LEU 292.A N GLU 247.A OE1 no hydrogen 2.854 N/A ASP 294.A N PRO 291.A O no hydrogen 3.239 N/A VAL 296.A N LEU 292.A O no hydrogen 2.925 N/A HIS 297.A N.A ALA 293.A O no hydrogen 2.938 N/A HIS 297.A N.B ALA 293.A O no hydrogen 2.934 N/A GLN 298.A N ASP 294.A O no hydrogen 3.326 N/A LEU 299.A N THR 295.A O no hydrogen 3.037 N/A VAL 300.A N VAL 296.A O no hydrogen 2.852 N/A GLY 301.A N HIS 297.A O.A no hydrogen 2.938 N/A GLY 301.A N HIS 297.A O.B no hydrogen 2.831 N/A GLY 302.A N GLN 298.A O no hydrogen 3.007 N/A LEU 303.A N LEU 299.A O no hydrogen 3.048 N/A ARG 304.A N VAL 300.A O no hydrogen 2.830 N/A ARG 304.A NH1 PRO 29.A O no hydrogen 2.972 N/A ARG 304.A NH1 VAL 32.A O no hydrogen 2.836 N/A ALA 305.A N GLY 301.A O no hydrogen 3.095 N/A GLY 306.A N GLY 302.A O no hydrogen 2.992 N/A MET 307.A N LEU 303.A O no hydrogen 2.845 N/A GLY 308.A N ARG 304.A O no hydrogen 2.953 N/A TYR 309.A N ALA 305.A O no hydrogen 2.899 N/A CYS 310.A N GLY 306.A O no hydrogen 2.979 N/A CYS 310.A SG GLY 306.A O no hydrogen 3.451 N/A GLY 311.A N GLY 308.A O no hydrogen 3.106 N/A ALA 312.A N MET 307.A O no hydrogen 2.767 N/A GLN 313.A N GLN 313.A OE1 no hydrogen 2.800 N/A PHE 317.A N ASP 314.A OD1 no hydrogen 2.951 N/A LEU 318.A N ASP 314.A O no hydrogen 3.269 N/A ARG 319.A N LEU 315.A O no hydrogen 2.905 N/A GLU 320.A N GLU 316.A O no hydrogen 2.976 N/A ASN 321.A N PHE 317.A O no hydrogen 2.763 N/A ALA 322.A N LEU 318.A O no hydrogen 3.022 N/A GLN 323.A NE2 ASN 321.A O no hydrogen 3.218 N/A GLN 323.A NE2 ALA 322.A O no hydrogen 3.300 N/A ILE 325.A N LEU 19.A O no hydrogen 2.816 N/A MET 327.A N ASP 17.A O no hydrogen 2.863 N/A ALA 330.A N SER 328.A OG no hydrogen 3.055 N/A GLY 331.A N SER 328.A OG no hydrogen 3.361 N/A LEU 332.A N SER 328.A O no hydrogen 3.026 N/A LEU 333.A N GLY 329.A O no hydrogen 2.995 N/A GLU 334.A N ALA 330.A O no hydrogen 3.122 N/A SER 335.A N LEU 332.A O no hydrogen 2.885 N/A SER 335.A OG GLY 331.A O no hydrogen 2.670 N/A HIS 336.A ND1 TYR 349.A OH no hydrogen 2.784 N/A TYR 349.A N ALA 346.A O no hydrogen 3.446 N/A TYR 349.A OH HIS 336.A ND1 no hydrogen 2.784 N/A