Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u4e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG LEU 206.A O no hydrogen 2.667 N/A GLY 4.A N ILE 205.A O no hydrogen 2.970 N/A LYS 5.A N LEU 2.A O no hydrogen 3.305 N/A LYS 5.A NZ THR 1.A O no hydrogen 2.877 N/A ALA 7.A N THR 190.A O no hydrogen 2.807 N/A ILE 8.A N VAL 203.A O no hydrogen 2.638 N/A VAL 9.A N VAL 188.A O no hydrogen 2.928 N/A VAL 11.A N GLU 39.A OE2 no hydrogen 2.886 N/A ALA 12.A N ALA 186.A O no hydrogen 3.023 N/A SER 14.A N.A GLY 184.A O no hydrogen 2.965 N/A SER 14.A N.B GLY 184.A O no hydrogen 2.959 N/A SER 14.A OG.A LEU 28.A O no hydrogen 3.131 N/A SER 14.A OG.A GLU 31.A OE1 no hydrogen 2.427 N/A SER 14.A OG.B GLN 16.A O no hydrogen 2.803 N/A SER 14.A OG.B GLY 184.A O no hydrogen 3.459 N/A ASP 15.A N GLU 31.A OE1 no hydrogen 2.826 N/A GLY 18.A N ASP 182.A O no hydrogen 2.812 N/A VAL 20.A N ASP 182.A OD2 no hydrogen 2.794 N/A LYS 23.A NZ GLU 31.A OE2 no hydrogen 3.142 N/A LEU 28.A N PRO 24.A O no hydrogen 3.142 N/A HIS 29.A N ALA 25.A O no hydrogen 2.993 N/A HIS 29.A ND1 THR 102.A OG1 no hydrogen 2.770 N/A HIS 29.A NE2 GLY 104.A O no hydrogen 2.741 N/A ALA 30.A N ILE 26.A O no hydrogen 3.018 N/A GLU 31.A N ALA 27.A O no hydrogen 3.075 N/A ALA 32.A N LEU 28.A O no hydrogen 3.314 N/A ALA 33.A N HIS 29.A O no hydrogen 2.954 N/A LEU 34.A N ALA 30.A O no hydrogen 2.969 N/A ASN 35.A N GLU 31.A O no hydrogen 2.916 N/A ASN 35.A ND2 GLU 13.A O no hydrogen 3.175 N/A ASN 35.A ND2 ASP 15.A OD1 no hydrogen 2.922 N/A ALA 36.A N ALA 32.A O no hydrogen 2.865 N/A LEU 37.A N ALA 33.A O no hydrogen 2.953 N/A GLU 38.A N LEU 34.A O no hydrogen 3.046 N/A GLU 39.A N ASN 35.A O no hydrogen 3.212 N/A ALA 40.A N ALA 36.A O no hydrogen 3.315 N/A GLY 41.A N LEU 37.A O no hydrogen 2.953 N/A GLY 41.A N GLU 38.A O no hydrogen 2.953 N/A LEU 42.A N LEU 37.A O no hydrogen 2.892 N/A THR 43.A N ASP 46.A OD2 no hydrogen 2.920 N/A THR 43.A OG1 ASP 46.A OD2 no hydrogen 3.476 N/A ARG 45.A N THR 43.A OG1 no hydrogen 3.079 N/A ASP 46.A N THR 43.A O no hydrogen 3.071 N/A VAL 47.A N LEU 44.A O no hydrogen 3.277 N/A ASP 48.A N VAL 98.A O no hydrogen 3.227 N/A GLY 49.A N VAL 98.A O no hydrogen 3.088 N/A LEU 50.A N TYR 70.A O no hydrogen 2.915 N/A LEU 51.A N LEU 100.A O no hydrogen 2.877 N/A THR 52.A N ASP 72.A O no hydrogen 3.036 N/A THR 52.A OG1 ILE 55.A O no hydrogen 2.624 N/A ALA 53.A N THR 102.A O no hydrogen 2.976 N/A LEU 60.A N SER 56.A O no hydrogen 2.940 N/A GLY 61.A N PRO 57.A O no hydrogen 2.860 N/A GLU 62.A N LEU 58.A O no hydrogen 3.110 N/A TYR 63.A N GLU 59.A O no hydrogen 3.116 N/A LEU 64.A N LEU 60.A O no hydrogen 2.862 N/A GLY 65.A N GLU 62.A O no hydrogen 3.034 N/A ILE 66.A N GLY 61.A O no hydrogen 2.852 N/A SER 69.A OG ASP 48.A O no hydrogen 3.268 N/A SER 69.A OG ARG 95.A O no hydrogen 2.890 N/A TYR 70.A N ASP 48.A O no hydrogen 3.199 N/A ASP 72.A N LEU 50.A O no hydrogen 3.083 N/A THR 74.A OG1 THR 52.A O no hydrogen 2.794 N/A HIS 83.A ND1 HIS 103.A NE2 no hydrogen 3.212 N/A LEU 84.A N VAL 81.A O no hydrogen 2.936 N/A HIS 86.A N ILE 82.A O no hydrogen 2.982 N/A HIS 86.A ND1 ASP 72.A OD2 no hydrogen 2.846 N/A ALA 87.A N HIS 83.A O no hydrogen 2.967 N/A ALA 88.A N LEU 84.A O no hydrogen 2.880 N/A ALA 89.A N ALA 85.A O no hydrogen 3.055 N/A ALA 90.A N HIS 86.A O no hydrogen 2.944 N/A ILE 91.A N ALA 87.A O no hydrogen 2.908 N/A VAL 92.A N ALA 88.A O no hydrogen 2.970 N/A THR 93.A N ALA 89.A O no hydrogen 3.020 N/A THR 93.A OG1 ALA 89.A O no hydrogen 2.831 N/A THR 93.A OG1 ALA 90.A O no hydrogen 3.510 N/A GLY 94.A N ILE 91.A O no hydrogen 2.811 N/A ARG 95.A NH1 SER 69.A O no hydrogen 2.855 N/A ARG 95.A NH2 SER 69.A O no hydrogen 3.341 N/A CYS 96.A N ALA 90.A O no hydrogen 3.133 N/A SER 97.A N ASP 48.A OD1 no hydrogen 3.049 N/A SER 97.A N ASP 48.A OD2 no hydrogen 3.106 N/A SER 97.A OG ASP 48.A OD1 no hydrogen 3.512 N/A SER 97.A OG ASP 48.A OD2 no hydrogen 2.714 N/A VAL 98.A N ASP 48.A OD1 no hydrogen 2.808 N/A ALA 99.A N VAL 189.A O no hydrogen 2.787 N/A LEU 100.A N GLY 49.A O no hydrogen 2.674 N/A ILE 101.A N CYS 187.A O no hydrogen 2.941 N/A THR 102.A N LEU 51.A O no hydrogen 2.907 N/A THR 102.A OG1 HIS 29.A ND1 no hydrogen 2.770 N/A HIS 103.A N GLY 185.A O no hydrogen 2.905 N/A HIS 103.A NE2 HIS 83.A ND1 no hydrogen 3.212 N/A GLY 104.A N ALA 53.A O no hydrogen 3.194 N/A GLU 105.A N ALA 183.A O no hydrogen 3.085 N/A SER 106.A OG ASP 182.A OD1 no hydrogen 3.258 N/A SER 109.A N ASP 182.A OD1 no hydrogen 2.786 N/A SER 109.A OG ASP 182.A OD2 no hydrogen 2.667 N/A ARG 110.A N SER 106.A O no hydrogen 2.883 N/A VAL 111.A N SER 106.A OG no hydrogen 3.024 N/A ALA 118.A N PRO 115.A O no hydrogen 3.281 N/A TYR 119.A OH GLY 337.A O no hydrogen 2.570 N/A ALA 120.A N VAL 116.A O no hydrogen 2.928 N/A LEU 121.A N GLY 117.A O no hydrogen 2.967 N/A ALA 122.A N ALA 118.A O no hydrogen 3.054 N/A CYS 123.A N TYR 119.A O no hydrogen 2.889 N/A SER 124.A N ALA 120.A O no hydrogen 2.914 N/A SER 124.A OG LEU 121.A O no hydrogen 3.021 N/A ARG 125.A N LEU 121.A O no hydrogen 2.945 N/A HIS 126.A N ALA 122.A O no hydrogen 3.017 N/A HIS 126.A ND1 THR 131.A OG1 no hydrogen 2.757 N/A HIS 126.A NE2 GLU 261.A OE1 no hydrogen 2.918 N/A GLU 128.A N ARG 125.A O no hydrogen 2.827 N/A TYR 129.A N HIS 126.A O no hydrogen 2.926 N/A THR 131.A OG1 HIS 126.A ND1 no hydrogen 2.757 N/A THR 132.A N GLN 135.A OE1 no hydrogen 3.211 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.826 N/A GLN 135.A N THR 132.A OG1 no hydrogen 3.126 N/A LEU 136.A N THR 132.A O no hydrogen 3.189 N/A ALA 137.A N LYS 133.A O no hydrogen 2.899 N/A GLU 138.A N GLU 134.A O no hydrogen 3.370 N/A ILE 139.A N LEU 136.A O no hydrogen 3.290 N/A VAL 141.A N ALA 137.A O no hydrogen 2.971 N/A ALA 142.A N GLU 138.A O no hydrogen 2.788 N/A THR 143.A N ILE 139.A O no hydrogen 2.945 N/A THR 143.A OG1 ILE 139.A O no hydrogen 2.807 N/A ARG 144.A N ALA 140.A O no hydrogen 2.847 N/A ARG 144.A NE SER 295.A OG no hydrogen 2.933 N/A ARG 144.A NH2 ASP 155.A O no hydrogen 2.491 N/A LYS 145.A N VAL 141.A O no hydrogen 3.114 N/A LYS 145.A NZ GLN 278.A OE1 no hydrogen 3.266 N/A TRP 146.A N ALA 142.A O no hydrogen 3.329 N/A TRP 146.A NE1 THR 280.A O no hydrogen 2.838 N/A ALA 147.A N THR 143.A O no hydrogen 3.091 N/A ASN 149.A N ALA 147.A O no hydrogen 2.997 N/A ASN 149.A ND2 ASN 290.A O no hydrogen 3.252 N/A LYS 151.A N ASN 149.A OD1 no hydrogen 2.915 N/A ALA 152.A N ASN 149.A O no hydrogen 2.993 N/A TYR 153.A N TYR 296.A O no hydrogen 3.174 N/A ARG 154.A NE ALA 147.A O no hydrogen 3.384 N/A THR 158.A N ASP 161.A OD2 no hydrogen 2.827 N/A ASP 161.A N THR 158.A OG1 no hydrogen 3.284 N/A VAL 162.A N THR 158.A O no hydrogen 3.182 N/A LEU 163.A N ILE 159.A O no hydrogen 3.048 N/A ASN 164.A N GLU 160.A O no hydrogen 2.870 N/A SER 165.A N VAL 162.A O no hydrogen 3.155 N/A SER 165.A OG VAL 162.A O no hydrogen 2.559 N/A ILE 168.A N PHE 172.A O no hydrogen 2.893 N/A PHE 172.A N VAL 169.A O no hydrogen 2.698 N/A ASN 173.A N ASP 176.A OD2 no hydrogen 3.065 N/A ASN 173.A ND2 VAL 162.A O no hydrogen 3.437 N/A LEU 174.A N ARG 166.A O no hydrogen 2.644 N/A LEU 175.A N SER 165.A OG no hydrogen 3.418 N/A ASP 176.A N ASN 173.A O no hydrogen 2.689 N/A CYS 177.A N LEU 174.A O no hydrogen 3.073 N/A CYS 177.A SG ASN 173.A O no hydrogen 3.610 N/A CYS 178.A N SER 251.A O no hydrogen 2.971 N/A CYS 178.A SG LEU 179.A O no hydrogen 3.749 N/A CYS 178.A SG SER 251.A O no hydrogen 3.471 N/A LEU 179.A N GLY 293.A O no hydrogen 2.873 N/A THR 181.A N HIS 298.A O no hydrogen 3.008 N/A THR 181.A OG1 THR 297.A OG1 no hydrogen 2.593 N/A ASP 182.A N GLY 18.A O no hydrogen 2.809 N/A ALA 183.A N GLU 105.A O no hydrogen 3.121 N/A GLY 184.A N SER 14.A OG.B no hydrogen 3.074 N/A GLY 185.A N HIS 103.A O no hydrogen 2.849 N/A ALA 186.A N ALA 12.A O no hydrogen 2.928 N/A CYS 187.A N ILE 101.A O no hydrogen 2.992 N/A VAL 188.A N GLY 10.A O no hydrogen 2.918 N/A VAL 189.A N ALA 99.A O no hydrogen 2.816 N/A THR 190.A N ALA 7.A O no hydrogen 3.030 N/A THR 190.A OG1 SER 191.A O no hydrogen 2.856 N/A ILE 192.A N LYS 5.A O no hydrogen 3.038 N/A ARG 194.A N SER 191.A OG no hydrogen 3.053 N/A ARG 194.A NH2 ASP 46.A OD1 no hydrogen 3.447 N/A ALA 195.A N SER 191.A O no hydrogen 2.987 N/A ARG 196.A N ILE 192.A O no hydrogen 3.197 N/A ARG 196.A N GLU 193.A O no hydrogen 3.095 N/A ASP 197.A N ARG 194.A O no hydrogen 3.266 N/A LEU 198.A N ALA 195.A O no hydrogen 3.285 N/A ARG 199.A N ALA 40.A O no hydrogen 3.363 N/A ARG 199.A NH1 GLU 38.A O no hydrogen 3.414 N/A GLN 200.A NE2 GLU 39.A O no hydrogen 2.689 N/A VAL 203.A N ILE 8.A O no hydrogen 3.126 N/A ALA 204.A N GLY 348.A O no hydrogen 2.945 N/A ILE 205.A N THR 6.A O no hydrogen 2.985 N/A LEU 206.A N ILE 346.A O no hydrogen 3.032 N/A GLY 207.A N ILE 346.A O no hydrogen 3.154 N/A GLY 209.A N THR 344.A O no hydrogen 2.856 N/A SER 211.A N ALA 342.A O no hydrogen 2.949 N/A ASP 213.A N SER 340.A O no hydrogen 2.875 N/A THR 223.A OG1 ASP 262.A OD1 no hydrogen 2.689 N/A SER 224.A N ASP 262.A OD2 no hydrogen 2.788 N/A SER 224.A OG LEU 339.A O no hydrogen 2.801 N/A ALA 227.A N SER 224.A OG no hydrogen 3.202 N/A ARG 228.A N SER 224.A O no hydrogen 3.158 N/A ARG 229.A N PHE 225.A O no hydrogen 2.930 N/A ARG 229.A NE SER 211.A OG no hydrogen 2.810 N/A ARG 229.A NH2 SER 211.A OG no hydrogen 3.378 N/A ARG 229.A NH2 ASP 213.A OD1 no hydrogen 2.948 N/A SER 230.A N ALA 226.A O no hydrogen 2.959 N/A SER 230.A OG ALA 226.A O no hydrogen 3.489 N/A SER 230.A OG ALA 227.A O no hydrogen 3.273 N/A SER 230.A OG THR 344.A OG1 no hydrogen 2.708 N/A GLY 231.A N ALA 227.A O no hydrogen 2.882 N/A GLN 232.A N ARG 228.A O no hydrogen 2.954 N/A ALA 233.A N ARG 229.A O no hydrogen 3.049 N/A ALA 234.A N SER 230.A O no hydrogen 3.070 N/A PHE 235.A N GLY 231.A O no hydrogen 3.012 N/A LYS 236.A N GLN 232.A O no hydrogen 2.955 N/A GLY 238.A N PHE 235.A O no hydrogen 2.939 N/A THR 240.A N ASP 243.A OD2 no hydrogen 3.148 N/A HIS 241.A NE2 LEU 263.A O no hydrogen 2.669 N/A ASP 243.A N THR 240.A O no hydrogen 3.151 N/A ASP 243.A N THR 240.A OG1 no hydrogen 3.304 N/A ILE 244.A N HIS 241.A O no hydrogen 3.119 N/A ASP 245.A N LEU 329.A O no hydrogen 2.854 N/A ALA 247.A N PRO 287.A O no hydrogen 3.122 N/A TYR 249.A N HIS 333.A O no hydrogen 2.770 N/A TYR 249.A OH HIS 298.A NE2 no hydrogen 2.747 N/A SER 251.A OG THR 255.A OG1 no hydrogen 2.799 N/A THR 253.A N ASP 176.A O no hydrogen 2.997 N/A THR 253.A OG1 LEU 136.A O no hydrogen 2.443 N/A TYR 254.A OH SER 221.A O no hydrogen 2.931 N/A THR 255.A OG1 SER 251.A OG no hydrogen 2.799 N/A VAL 256.A N PHE 252.A O no hydrogen 3.361 N/A LEU 257.A N THR 253.A O no hydrogen 3.286 N/A LEU 258.A N TYR 254.A O no hydrogen 2.874 N/A SER 259.A N THR 255.A O no hydrogen 3.030 N/A SER 259.A OG THR 255.A O no hydrogen 2.674 N/A LEU 260.A N VAL 256.A O no hydrogen 3.043 N/A GLU 261.A N LEU 257.A O no hydrogen 3.317 N/A ASP 262.A N LEU 258.A O no hydrogen 2.778 N/A LEU 263.A N SER 259.A O no hydrogen 2.783 N/A GLY 264.A N LEU 260.A O no hydrogen 3.130 N/A GLY 264.A N GLU 261.A O no hydrogen 3.040 N/A PHE 265.A N LEU 260.A O no hydrogen 3.083 N/A CYS 266.A SG ALA 267.A O no hydrogen 3.901 N/A GLY 269.A N GLU 261.A OE1 no hydrogen 3.187 N/A GLU 270.A N ALA 267.A O no hydrogen 3.013 N/A GLY 271.A N GLU 261.A OE2 no hydrogen 2.856 N/A PHE 274.A N GLU 270.A O no hydrogen 3.062 N/A VAL 275.A N GLY 271.A O no hydrogen 3.033 N/A SER 276.A N ALA 273.A O no hydrogen 3.206 N/A SER 276.A OG GLY 272.A O no hydrogen 2.825 N/A GLY 277.A N GLU 138.A OE1 no hydrogen 3.364 N/A GLN 278.A N GLU 138.A OE2 no hydrogen 3.150 N/A GLN 278.A NE2 GLU 138.A O no hydrogen 3.234 N/A GLN 278.A NE2 GLU 138.A OE2 no hydrogen 2.674 N/A ALA 281.A N GLN 278.A O no hydrogen 3.295 N/A GLY 284.A N ALA 281.A O no hydrogen 2.972 N/A PHE 286.A N ARG 279.A O no hydrogen 2.910 N/A ASN 288.A ND2 ILE 248.A O no hydrogen 3.001 N/A THR 289.A OG1 GLU 307.A OE2 no hydrogen 2.446 N/A GLY 291.A N ASN 288.A O no hydrogen 2.982 N/A GLY 292.A N ASN 290.A OD1 no hydrogen 2.883 N/A GLY 293.A N ASP 250.A OD1 no hydrogen 2.890 N/A LEU 294.A N ASP 250.A OD2 no hydrogen 3.269 N/A SER 295.A N GLY 291.A O no hydrogen 2.986 N/A TYR 296.A N GLY 292.A O no hydrogen 2.958 N/A TYR 296.A OH GLU 13.A OE2 no hydrogen 2.370 N/A THR 297.A N GLY 292.A O no hydrogen 3.317 N/A THR 297.A OG1 THR 181.A OG1 no hydrogen 2.593 N/A HIS 298.A N THR 181.A OG1 no hydrogen 2.727 N/A HIS 298.A NE2 TYR 249.A OH no hydrogen 2.747 N/A TYR 301.A OH GLU 105.A OE2 no hydrogen 2.702 N/A GLY 302.A N SER 79.A O no hydrogen 2.995 N/A ILE 305.A N GLY 302.A O no hydrogen 3.060 N/A GLU 307.A N PHE 303.A O no hydrogen 3.221 N/A ALA 308.A N ALA 304.A O no hydrogen 2.946 N/A VAL 309.A N ILE 305.A O no hydrogen 2.872 N/A ARG 310.A N ILE 306.A O no hydrogen 3.064 N/A ARG 310.A NH1 GLU 13.A OE1 no hydrogen 3.081 N/A ARG 310.A NH2 GLU 13.A OE1 no hydrogen 3.309 N/A GLN 311.A N GLU 307.A O no hydrogen 2.922 N/A GLN 311.A NE2 THR 289.A OG1 no hydrogen 3.323 N/A GLN 311.A NE2 GLU 307.A OE2 no hydrogen 3.053 N/A GLN 311.A NE2 ARG 322.A O no hydrogen 2.934 N/A LEU 312.A N ALA 308.A O no hydrogen 3.041 N/A ARG 313.A N VAL 309.A O no hydrogen 2.893 N/A ARG 313.A NE ASP 315.A OD1 no hydrogen 3.309 N/A ARG 313.A NH1 GLU 39.A OE2 no hydrogen 2.821 N/A ARG 313.A NH2 GLU 39.A OE1 no hydrogen 3.390 N/A ARG 313.A NH2 GLU 39.A OE2 no hydrogen 2.920 N/A ARG 313.A NH2 ASP 315.A OD2 no hydrogen 2.896 N/A HIS 314.A N GLN 311.A O no hydrogen 3.064 N/A ASP 315.A N ARG 310.A O no hydrogen 2.979 N/A TYR 316.A N GLN 323.A OE1 no hydrogen 2.896 N/A TYR 316.A OH GLU 307.A OE1 no hydrogen 2.652 N/A ALA 317.A N HIS 314.A O no hydrogen 2.968 N/A GLN 319.A N TYR 316.A O no hydrogen 2.881 N/A ARG 322.A N GLN 319.A O no hydrogen 3.451 N/A ARG 322.A NH1 GLN 319.A OE1 no hydrogen 3.013 N/A GLN 323.A N GLY 320.A O no hydrogen 3.172 N/A GLN 323.A NE2 GLN 311.A O no hydrogen 2.859 N/A GLN 323.A NE2 VAL 324.A O no hydrogen 3.240 N/A VAL 324.A N GLN 311.A OE1 no hydrogen 2.785 N/A GLU 328.A N ASP 245.A OD2 no hydrogen 2.947 N/A LEU 329.A N ASP 245.A OD2 no hydrogen 2.827 N/A ALA 330.A N LEU 347.A O no hydrogen 2.960 N/A ILE 331.A N LEU 246.A O no hydrogen 2.972 N/A VAL 332.A N ALA 345.A O no hydrogen 2.781 N/A HIS 333.A ND1 THR 344.A OG1 no hydrogen 2.558 N/A HIS 333.A NE2 THR 335.A OG1 no hydrogen 2.868 N/A GLY 334.A N GLY 343.A O no hydrogen 3.101 N/A THR 335.A OG1 HIS 333.A NE2 no hydrogen 2.868 N/A GLY 336.A N SER 341.A O no hydrogen 2.855 N/A VAL 338.A N SER 340.A OG no hydrogen 2.649 N/A SER 340.A N GLY 336.A O no hydrogen 3.184 N/A SER 341.A N GLY 336.A O no hydrogen 3.464 N/A ALA 342.A N SER 211.A O no hydrogen 2.918 N/A GLY 343.A N GLY 334.A O no hydrogen 3.076 N/A THR 344.A N GLY 209.A O no hydrogen 2.774 N/A THR 344.A OG1 SER 230.A OG no hydrogen 2.708 N/A THR 344.A OG1 HIS 333.A ND1 no hydrogen 2.558 N/A ALA 345.A N VAL 332.A O no hydrogen 2.820 N/A ILE 346.A N GLY 207.A O no hydrogen 2.761 N/A LEU 347.A N ALA 330.A O no hydrogen 2.939 N/A GLY 348.A N ALA 204.A O no hydrogen 3.109 N/A ARG 349.A N GLU 328.A O no hydrogen 2.913 N/A ARG 349.A NH1 LEU 312.A O no hydrogen 2.848 N/A VAL 350.A N PRO 202.A O no hydrogen 3.527 N/A