Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lwu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 GLU 59.A OE1 no hydrogen 3.463 N/A THR 1.A OG1 GLU 59.A OE2 no hydrogen 2.707 N/A LYS 2.A N GLU 59.A OE1 no hydrogen 2.885 N/A LYS 2.A NZ LEU 58.A O no hydrogen 3.101 N/A LYS 2.A NZ GLU 59.A O no hydrogen 3.445 N/A LYS 2.A NZ TYR 61.A O no hydrogen 2.678 N/A ALA 3.A N THR 1.A OG1 no hydrogen 2.938 N/A ILE 4.A N SER 25.A O no hydrogen 2.978 N/A SER 6.A N ILE 23.A O no hydrogen 2.707 N/A VAL 8.A N VAL 21.A O no hydrogen 2.922 N/A GLN 9.A NE2 GLY 11.A O no hydrogen 3.367 N/A VAL 10.A N LEU 19.A O no hydrogen 2.786 N/A LEU 13.A N GLN 17.A O no hydrogen 2.792 N/A GLY 16.A N LEU 13.A O no hydrogen 2.802 N/A LEU 19.A N GLY 11.A O no hydrogen 2.946 N/A VAL 21.A N VAL 8.A O no hydrogen 2.894 N/A ILE 23.A N SER 6.A O no hydrogen 2.917 N/A TYR 24.A N LEU 69.A O no hydrogen 3.062 N/A SER 25.A N ILE 4.A O no hydrogen 2.919 N/A PHE 26.A N ILE 67.A O no hydrogen 2.772 N/A SER 28.A N VAL 63.A O no hydrogen 3.060 N/A SER 28.A OG VAL 63.A O no hydrogen 3.166 N/A GLU 29.A N LEU 64.A O no hydrogen 3.021 N/A ALA 32.A N GLU 29.A O no hydrogen 3.125 N/A SER 34.A N ASP 162.A OD2 no hydrogen 2.896 N/A SER 34.A OG ASP 162.A OD2 no hydrogen 3.388 N/A VAL 35.A N ASP 66.A O no hydrogen 2.821 N/A TYR 36.A N ILE 163.A O no hydrogen 2.868 N/A TYR 36.A OH GLN 38.A OE1 no hydrogen 2.776 N/A ILE 37.A N THR 68.A O no hydrogen 2.819 N/A GLN 38.A N LEU 165.A O no hydrogen 2.994 N/A GLN 38.A NE2 TYR 102.A OH no hydrogen 3.116 N/A GLN 38.A NE2 ASP 166.A OD1 no hydrogen 3.040 N/A ALA 39.A N ALA 70.A O no hydrogen 3.114 N/A ASN 40.A N LEU 167.A O no hydrogen 3.431 N/A ASN 40.A ND2 HIS 42.A O no hydrogen 2.887 N/A HIS 42.A NE2 ASN 97.A OD1 no hydrogen 2.765 N/A GLY 43.A N GLY 88.A O no hydrogen 2.861 N/A GLU 45.A N HIS 42.A O no hydrogen 3.022 N/A VAL 46.A N ALA 44.A O no hydrogen 2.994 N/A GLN 47.A NE2 ASP 245.A O no hydrogen 2.964 N/A ASN 49.A N VAL 46.A O no hydrogen 3.020 N/A ASN 49.A ND2 ASN 40.A OD1 no hydrogen 2.761 N/A ASN 49.A ND2 VAL 46.A O no hydrogen 3.006 N/A VAL 51.A N GLN 47.A O no hydrogen 3.060 N/A ILE 52.A N GLY 48.A O no hydrogen 2.948 N/A TYR 53.A N ASN 49.A O no hydrogen 2.983 N/A GLN 54.A N ALA 50.A O no hydrogen 2.937 N/A GLN 54.A NE2 LEU 246.A O no hydrogen 3.063 N/A LEU 55.A N VAL 51.A O no hydrogen 2.727 N/A THR 56.A OG1 TYR 53.A O no hydrogen 2.739 N/A LEU 57.A N GLN 54.A O no hydrogen 2.997 N/A LEU 58.A N LEU 55.A O no hydrogen 2.818 N/A GLY 60.A N LEU 57.A O no hydrogen 2.895 N/A TYR 61.A N LEU 58.A O no hydrogen 3.211 N/A GLN 62.A N GLU 268.A OE1 no hydrogen 3.220 N/A GLN 62.A N GLU 268.A OE2 no hydrogen 3.177 N/A LEU 64.A N VAL 265.A O no hydrogen 2.790 N/A GLY 65.A N VAL 265.A O no hydrogen 3.133 N/A ILE 67.A N PHE 26.A O no hydrogen 2.974 N/A THR 68.A N VAL 35.A O no hydrogen 2.853 N/A LEU 69.A N TYR 24.A O no hydrogen 2.815 N/A ALA 70.A N ILE 37.A O no hydrogen 2.737 N/A LEU 72.A N ASN 49.A OD1 no hydrogen 2.899 N/A ALA 73.A N ALA 39.A O no hydrogen 3.125 N/A ASN 74.A ND2 VAL 41.A O no hydrogen 2.827 N/A GLY 77.A N ASN 74.A OD1 no hydrogen 3.161 N/A ILE 78.A N ASN 74.A O no hydrogen 2.902 N/A ASN 79.A N PRO 75.A O no hydrogen 2.983 N/A GLN 80.A N GLY 77.A O no hydrogen 3.240 N/A LYS 81.A NZ THR 86.A OG1 no hydrogen 2.797 N/A SER 82.A N PHE 85.A O no hydrogen 2.883 N/A THR 86.A N GLU 242.A OE2 no hydrogen 2.856 N/A THR 86.A OG1 GLU 242.A OE2 no hydrogen 3.028 N/A LEU 87.A N GLN 80.A O no hydrogen 2.769 N/A ASP 91.A N VAL 96.A O no hydrogen 2.831 N/A ILE 93.A N ASP 91.A OD1 no hydrogen 2.858 N/A GLY 95.A N ASP 91.A O no hydrogen 2.772 N/A VAL 96.A N THR 94.A OG1 no hydrogen 3.281 N/A TRP 98.A N ARG 89.A O no hydrogen 3.127 N/A ASN 99.A N ASN 97.A OD1 no hydrogen 2.815 N/A ARG 100.A N ASN 97.A O no hydrogen 2.992 N/A ARG 100.A NE GLY 203.A O no hydrogen 3.070 N/A TYR 102.A N GLY 204.A O no hydrogen 3.044 N/A PHE 103.A N GLN 156.A OE1 no hydrogen 2.696 N/A HIS 105.A NE2 HIS 159.A NE2 no hydrogen 2.974 N/A ASN 106.A N ASP 104.A OD1 no hydrogen 3.074 N/A ASN 111.A N ASP 108.A OD1 no hydrogen 3.302 N/A ASN 111.A ND2 GLU 115.A OE2 no hydrogen 2.989 N/A TRP 112.A N ASP 108.A O no hydrogen 2.925 N/A TYR 113.A N ILE 109.A O no hydrogen 3.030 N/A ALA 114.A N GLN 110.A O no hydrogen 3.116 N/A GLU 115.A N ASN 111.A O no hydrogen 3.098 N/A HIS 116.A N TYR 113.A O no hydrogen 3.185 N/A HIS 116.A ND1 TRP 112.A O no hydrogen 2.695 N/A GLN 117.A NE2 ALA 114.A O no hydrogen 3.284 N/A HIS 118.A NE2 GLU 115.A O no hydrogen 3.102 N/A LEU 119.A N HIS 116.A O no hydrogen 3.142 N/A GLU 123.A N THR 120.A OG1 no hydrogen 3.113 N/A LEU 124.A N THR 120.A O no hydrogen 2.814 N/A PHE 125.A N ASN 121.A O no hydrogen 3.024 N/A CYS 126.A N SER 122.A O no hydrogen 3.076 N/A CYS 126.A SG.B SER 122.A O no hydrogen 3.271 N/A ALA 127.A N GLU 123.A O no hydrogen 2.912 N/A TYR 128.A N LEU 124.A O no hydrogen 2.956 N/A TYR 128.A OH PRO 212.A O no hydrogen 2.911 N/A ARG 129.A N PHE 125.A O no hydrogen 2.953 N/A ARG 129.A NE HIS 159.A O no hydrogen 2.994 N/A ARG 129.A NH2 ALA 161.A O no hydrogen 3.295 N/A SER 130.A N CYS 126.A O no hydrogen 3.066 N/A SER 130.A OG CYS 126.A O no hydrogen 3.072 N/A VAL 132.A N ARG 129.A O no hydrogen 2.955 N/A GLU 133.A N SER 130.A O no hydrogen 2.996 N/A THR 134.A OG1 HIS 105.A ND1 no hydrogen 2.791 N/A THR 134.A OG1 LEU 131.A O no hydrogen 3.323 N/A CYS 135.A N LEU 131.A O no hydrogen 3.265 N/A GLN 136.A N VAL 132.A O no hydrogen 2.988 N/A ALA 137.A N GLU 133.A O no hydrogen 2.830 N/A ARG 138.A N CYS 135.A O no hydrogen 3.141 N/A LEU 139.A N GLN 136.A O no hydrogen 3.005 N/A THR 140.A N ALA 137.A O no hydrogen 3.210 N/A THR 140.A OG1 ALA 137.A O no hydrogen 3.321 N/A GLY 144.A N HIS 141.A O no hydrogen 2.982 N/A SER 146.A OG GLU 101.A OE2 no hydrogen 3.414 N/A HIS 149.A N SER 146.A OG no hydrogen 3.034 N/A ARG 150.A N SER 146.A O no hydrogen 2.937 N/A ARG 150.A NH2 LEU 139.A O no hydrogen 3.449 N/A LEU 151.A N THR 147.A O no hydrogen 3.102 N/A ALA 152.A N GLY 148.A O no hydrogen 3.013 N/A VAL 153.A N HIS 149.A O no hydrogen 2.872 N/A ASN 154.A N ARG 150.A O no hydrogen 3.142 N/A LEU 155.A N LEU 151.A O no hydrogen 3.124 N/A GLN 156.A N ALA 152.A O no hydrogen 2.881 N/A GLN 156.A NE2 PHE 103.A O no hydrogen 2.788 N/A GLN 156.A NE2 HIS 159.A NE2 no hydrogen 3.167 N/A ALA 157.A N VAL 153.A O no hydrogen 2.911 N/A HIS 159.A N GLN 156.A O no hydrogen 2.795 N/A HIS 159.A NE2 HIS 105.A NE2 no hydrogen 2.974 N/A ALA 161.A N ALA 158.A O no hydrogen 3.065 N/A ASP 162.A N SER 34.A O no hydrogen 2.884 N/A ASP 162.A N SER 34.A OG no hydrogen 3.343 N/A ILE 163.A N SER 34.A O no hydrogen 3.016 N/A VAL 164.A N SER 232.A O no hydrogen 2.916 N/A LEU 165.A N TYR 36.A O no hydrogen 2.890 N/A ASP 166.A N PHE 234.A O no hydrogen 2.994 N/A LEU 167.A N GLN 38.A O no hydrogen 2.859 N/A HIS 168.A N LEU 236.A O no hydrogen 2.758 N/A HIS 168.A ND1 GLU 45.A OE1 no hydrogen 3.051 N/A HIS 168.A NE2 ASP 166.A OD2 no hydrogen 2.824 N/A THR 169.A N GLU 45.A OE1 no hydrogen 3.073 N/A THR 169.A OG1 GLY 170.A O no hydrogen 2.783 N/A GLY 170.A N ALA 239.A O no hydrogen 2.910 N/A LYS 172.A N HIS 339.A O no hydrogen 3.313 N/A SER 173.A N SER 240.A OG no hydrogen 2.998 N/A SER 173.A OG CYS 174.A O no hydrogen 2.864 N/A CYS 174.A N ILE 337.A O no hydrogen 3.071 N/A CYS 174.A SG LYS 175.A O no hydrogen 3.782 N/A CYS 174.A SG ILE 337.A O no hydrogen 3.509 N/A LYS 175.A NZ ASP 248.A OD1 no hydrogen 2.989 N/A LYS 175.A NZ GLU 251.A OE1.A no hydrogen 3.413 N/A LYS 175.A NZ ASP 252.A OD1 no hydrogen 2.557 N/A HIS 176.A N GLU 237.A O no hydrogen 3.060 N/A HIS 176.A ND1 CYS 174.A O no hydrogen 3.017 N/A LEU 177.A N TYR 194.A O no hydrogen 2.809 N/A TYR 178.A N THR 235.A O no hydrogen 2.838 N/A CYS 179.A N LEU 196.A O no hydrogen 2.886 N/A CYS 179.A SG PRO 180.A O no hydrogen 3.608 N/A CYS 179.A SG ASP 183.A O no hydrogen 3.205 N/A GLU 181.A N ILE 198.A O no hydrogen 2.930 N/A TYR 182.A OH VAL 231.A O no hydrogen 2.750 N/A ASP 183.A N PRO 180.A O no hydrogen 2.909 N/A ILE 184.A N GLU 181.A O no hydrogen 3.410 N/A ALA 186.A N ASP 183.A O no hydrogen 2.913 N/A ALA 187.A N ILE 184.A O no hydrogen 2.923 N/A ARG 188.A NH1 ASP 185.A OD1.A no hydrogen 2.405 N/A PHE 189.A N ALA 186.A O no hydrogen 3.119 N/A TYR 194.A OH GLY 302.A O no hydrogen 3.000 N/A THR 195.A N PHE 277.A O no hydrogen 2.985 N/A LEU 196.A N LEU 177.A O no hydrogen 2.739 N/A ILE 197.A N CYS 279.A O no hydrogen 2.994 N/A ILE 198.A N CYS 179.A O no hydrogen 2.954 N/A ASN 200.A ND2 GLU 218.A OE1 no hydrogen 3.528 N/A ASN 200.A ND2 GLU 218.A OE2 no hydrogen 3.179 N/A GLY 203.A N GLU 207.A OE1 no hydrogen 2.932 N/A ALA 205.A N GLU 207.A OE1 no hydrogen 3.057 N/A GLU 207.A N ASP 206.A OD1 no hydrogen 2.969 N/A ALA 208.A N ALA 205.A O no hydrogen 2.862 N/A THR 209.A N ASP 206.A O no hydrogen 3.165 N/A PHE 210.A N ASP 206.A O no hydrogen 2.965 N/A CYS 211.A N GLU 207.A O no hydrogen 2.921 N/A CYS 211.A SG ASN 200.A OD1 no hydrogen 3.607 N/A TRP 214.A N PHE 210.A O no hydrogen 2.812 N/A GLN 215.A N CYS 211.A O no hydrogen 2.803 N/A LEU 216.A N PRO 212.A O no hydrogen 2.975 N/A THR 217.A N TRP 213.A O no hydrogen 3.006 N/A THR 217.A OG1 TRP 213.A O no hydrogen 2.862 N/A GLU 218.A N TRP 214.A O no hydrogen 2.975 N/A TYR 219.A N GLN 215.A O no hydrogen 2.936 N/A ALA 220.A N LEU 216.A O no hydrogen 2.778 N/A THR 221.A N THR 217.A O no hydrogen 2.876 N/A THR 221.A OG1 THR 217.A O no hydrogen 3.224 N/A SER 222.A N GLU 218.A O no hydrogen 3.053 N/A SER 222.A OG TYR 219.A O no hydrogen 2.643 N/A SER 222.A OG GLN 223.A OE1 no hydrogen 3.200 N/A GLN 223.A N ALA 220.A O no hydrogen 2.795 N/A GLY 224.A N THR 221.A O no hydrogen 3.031 N/A ARG 225.A N ALA 220.A O no hydrogen 2.937 N/A ARG 225.A NE ASN 121.A OD1 no hydrogen 2.736 N/A ARG 225.A NH1 GLN 117.A O no hydrogen 2.780 N/A ARG 225.A NH1 LEU 119.A O no hydrogen 3.529 N/A ARG 225.A NH2 LEU 119.A O no hydrogen 2.862 N/A ARG 225.A NH2 ASN 121.A OD1 no hydrogen 2.703 N/A SER 232.A N ASP 162.A O no hydrogen 2.990 N/A SER 232.A OG ASP 183.A OD2 no hydrogen 2.561 N/A SER 232.A OG TYR 259.A OH no hydrogen 3.408 N/A PHE 234.A N VAL 164.A O no hydrogen 3.023 N/A THR 235.A N TYR 178.A O no hydrogen 3.298 N/A LEU 236.A N ASP 166.A O no hydrogen 2.983 N/A GLU 237.A N HIS 176.A O no hydrogen 2.877 N/A LEU 238.A N HIS 168.A O no hydrogen 2.797 N/A ALA 239.A N GLU 237.A O no hydrogen 3.109 N/A SER 240.A OG SER 173.A O no hydrogen 3.320 N/A GLN 241.A N GLY 170.A O no hydrogen 2.860 N/A GLN 241.A N PRO 171.A O no hydrogen 3.048 N/A GLU 242.A N ALA 44.A O no hydrogen 2.857 N/A ARG 243.A NH1 ASP 248.A OD2 no hydrogen 2.990 N/A ARG 243.A NH2 ASP 248.A OD2 no hydrogen 3.159 N/A ASP 245.A N GLN 47.A OE1 no hydrogen 2.915 N/A ASP 248.A N ASP 245.A OD1 no hydrogen 2.907 N/A ALA 249.A N ASP 245.A O no hydrogen 2.894 N/A LEU 250.A N LEU 246.A O no hydrogen 2.937 N/A GLU 251.A N ALA 247.A O no hydrogen 3.408 N/A ASP 252.A N ASP 248.A O no hydrogen 3.186 N/A ALA 253.A N ALA 249.A O no hydrogen 2.848 N/A LYS 254.A N LEU 250.A O no hydrogen 2.875 N/A LYS 254.A NZ GLU 251.A OE2.B no hydrogen 3.361 N/A GLY 255.A N GLU 251.A O no hydrogen 3.214 N/A ILE 256.A N ASP 252.A O no hydrogen 3.028 N/A LEU 257.A N ALA 253.A O no hydrogen 2.973 N/A ALA 258.A N LYS 254.A O no hydrogen 2.967 N/A TYR 259.A N GLY 255.A O no hydrogen 3.090 N/A LEU 260.A N ILE 256.A O no hydrogen 2.963 N/A SER 261.A N LEU 257.A O no hydrogen 2.781 N/A SER 261.A OG GLU 268.A O no hydrogen 2.516 N/A HIS 262.A N ALA 258.A O no hydrogen 3.043 N/A ARG 263.A N TYR 259.A O no hydrogen 2.963 N/A ARG 263.A NH1 TYR 259.A OH no hydrogen 2.931 N/A GLY 264.A N SER 261.A O no hydrogen 2.783 N/A VAL 265.A N LEU 260.A O no hydrogen 2.911 N/A ALA 267.A N GLN 62.A O no hydrogen 2.962 N/A GLU 268.A N GLU 268.A OE1 no hydrogen 2.800 N/A LYS 269.A NZ ASN 271.A OD1 no hydrogen 3.074 N/A VAL 270.A N SER 261.A OG no hydrogen 2.957 N/A ARG 276.A NE PHE 190.A O no hydrogen 3.038 N/A ARG 276.A NH1 ALA 273.A O no hydrogen 3.184 N/A ARG 276.A NH2 PHE 190.A O no hydrogen 2.897 N/A ARG 276.A NH2 ALA 273.A O no hydrogen 2.917 N/A PHE 277.A N PRO 193.A O no hydrogen 2.717 N/A GLY 278.A N PHE 358.A O no hydrogen 2.871 N/A CYS 279.A N THR 195.A O no hydrogen 3.073 N/A CYS 279.A SG TYR 280.A O no hydrogen 3.276 N/A LEU 281.A N ILE 197.A O no hydrogen 3.135 N/A ASP 283.A N TYR 280.A O no hydrogen 2.912 N/A TYR 284.A N LEU 281.A O no hydrogen 2.949 N/A LYS 285.A N VAL 354.A O no hydrogen 2.831 N/A LYS 285.A NZ LYS 282.A O no hydrogen 3.076 N/A PHE 287.A N TYR 352.A O no hydrogen 2.772 N/A ALA 289.A N THR 349.A O no hydrogen 2.721 N/A LYS 291.A NZ GLN 324.A O no hydrogen 3.318 N/A LYS 291.A NZ GLN 327.A OE1 no hydrogen 3.054 N/A GLY 293.A N VAL 345.A O no hydrogen 3.186 N/A LEU 294.A N LEU 315.A O no hydrogen 3.039 N/A ILE 295.A N ALA 343.A O no hydrogen 2.749 N/A GLU 296.A N ASN 313.A O no hydrogen 3.019 N/A TYR 297.A OH SER 342.A O no hydrogen 2.696 N/A CYS 298.A N LEU 311.A O no hydrogen 3.069 N/A CYS 298.A SG GLU 296.A O no hydrogen 3.897 N/A ALA 299.A N LEU 311.A O no hydrogen 3.159 N/A GLY 302.A N PRO 336.A O no hydrogen 2.835 N/A LEU 305.A N CYS 334.A O no hydrogen 2.739 N/A ALA 307.A N ASP 333.A OD1 no hydrogen 2.712 N/A GLY 308.A N LEU 331.A O no hydrogen 3.058 N/A LYS 309.A N THR 306.A O no hydrogen 2.953 N/A LEU 311.A N ILE 329.A O no hydrogen 2.800 N/A VAL 312.A N ILE 329.A O no hydrogen 3.375 N/A ASN 313.A N GLU 296.A O no hydrogen 2.993 N/A ASN 313.A ND2 GLU 296.A OE1.B no hydrogen 2.811 N/A ILE 314.A N GLN 327.A O no hydrogen 2.789 N/A LEU 315.A N LEU 294.A O no hydrogen 2.757 N/A ARG 316.A N ALA 325.A O no hydrogen 2.694 N/A ARG 316.A NE ASP 318.A OD1 no hydrogen 2.826 N/A ARG 316.A NE ASP 318.A OD2 no hydrogen 3.436 N/A ARG 316.A NH1 ALA 292.A O no hydrogen 2.942 N/A ARG 316.A NH2 ASP 318.A OD2 no hydrogen 3.014 N/A LEU 319.A N ARG 316.A O no hydrogen 2.899 N/A SER 322.A N LEU 319.A O no hydrogen 3.130 N/A SER 322.A OG LEU 319.A O no hydrogen 3.396 N/A GLU 323.A N GLU 323.A OE1 no hydrogen 2.676 N/A ALA 325.A N SER 322.A O no hydrogen 3.308 N/A TYR 326.A OH GLU 296.A OE1.B no hydrogen 2.880 N/A GLN 327.A N ILE 314.A O no hydrogen 3.024 N/A ILE 329.A N VAL 312.A O no hydrogen 2.777 N/A CYS 334.A N LEU 305.A O no hydrogen 2.990 N/A ILE 337.A N LYS 353.A O no hydrogen 2.814 N/A LEU 338.A N LYS 353.A O no hydrogen 3.426 N/A HIS 339.A N LYS 172.A O no hydrogen 2.803 N/A HIS 339.A ND1 PHE 340.A O no hydrogen 2.798 N/A PHE 340.A N LEU 351.A O no hydrogen 2.879 N/A SER 344.A N SER 342.A OG no hydrogen 3.303 N/A VAL 345.A N GLY 293.A O no hydrogen 3.012 N/A LEU 346.A N THR 349.A OG1 no hydrogen 2.833 N/A GLN 347.A NE2 PRO 290.A O no hydrogen 3.267 N/A GLY 348.A N ALA 289.A O no hydrogen 3.015 N/A THR 349.A N LEU 346.A O no hydrogen 3.092 N/A THR 349.A OG1 LEU 346.A O no hydrogen 3.244 N/A LEU 351.A N PHE 287.A O no hydrogen 2.755 N/A TYR 352.A N PHE 287.A O no hydrogen 3.409 N/A TYR 352.A OH ALA 299.A O no hydrogen 2.530 N/A LYS 353.A N LEU 338.A O no hydrogen 2.991 N/A VAL 354.A N LYS 285.A O no hydrogen 2.911 N/A THR 355.A OG1 ASP 283.A O no hydrogen 2.623 N/A ASN 356.A ND2 ASP 283.A OD1 no hydrogen 3.398 N/A PHE 358.A N GLY 278.A O no hydrogen 3.065 N/A LEU 360.A N ARG 276.A O no hydrogen 3.075 N/A