Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u3x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE ASN 63.A O no hydrogen 3.349 N/A PHE 4.A N ARG 27.A O no hydrogen 2.908 N/A ALA 5.A N LEU 66.A O no hydrogen 2.823 N/A ALA 6.A N GLY 30.A O no hydrogen 3.258 N/A VAL 7.A N VAL 68.A O no hydrogen 2.856 N/A GLY 8.A N HIS 32.A O no hydrogen 3.241 N/A LEU 9.A N GLU 33.A OE1 no hydrogen 2.849 N/A HIS 13.A N HIS 11.A ND1 no hydrogen 2.898 N/A HIS 13.A ND1 ASP 92.A OD1 no hydrogen 2.945 N/A ILE 14.A N HIS 11.A O no hydrogen 3.420 N/A TYR 15.A N ASN 12.A O no hydrogen 3.279 N/A GLN 17.A N HIS 13.A O no hydrogen 3.084 N/A GLN 17.A NE2 SER 69.A O no hydrogen 2.774 N/A GLN 17.A NE2 LEU 90.A O no hydrogen 3.472 N/A VAL 18.A N ILE 14.A O no hydrogen 2.775 N/A ASN 19.A N TYR 15.A O no hydrogen 2.914 N/A CYS 20.A N GLY 16.A O no hydrogen 2.914 N/A LEU 21.A N GLN 17.A O no hydrogen 3.250 N/A LEU 22.A N VAL 18.A O no hydrogen 2.899 N/A ARG 23.A N ASN 19.A O no hydrogen 2.675 N/A ARG 23.A NH2 GLU 124.A OE2 no hydrogen 3.506 N/A ALA 24.A N LEU 21.A O no hydrogen 2.883 N/A GLY 25.A N LEU 22.A O no hydrogen 2.927 N/A ALA 26.A N LEU 21.A O no hydrogen 3.237 N/A ARG 27.A N LEU 2.A O no hydrogen 2.857 N/A ALA 29.A N PHE 4.A O no hydrogen 2.728 N/A PHE 31.A N ARG 50.A O no hydrogen 3.148 N/A HIS 32.A N ALA 6.A O no hydrogen 2.896 N/A ASP 35.A N GLU 33.A OE2 no hydrogen 2.813 N/A ALA 39.A N ASP 35.A O no hydrogen 2.929 N/A ALA 40.A N ASP 36.A O no hydrogen 2.858 N/A GLU 41.A N ALA 37.A O no hydrogen 3.188 N/A PHE 42.A N LEU 38.A O no hydrogen 3.350 N/A SER 43.A N ALA 39.A O no hydrogen 3.007 N/A SER 43.A OG ALA 39.A O no hydrogen 3.514 N/A ALA 44.A N ALA 40.A O no hydrogen 3.131 N/A VAL 45.A N GLU 41.A O no hydrogen 3.201 N/A TYR 46.A N PHE 42.A O no hydrogen 2.883 N/A ILE 52.A N PHE 31.A O no hydrogen 3.036 N/A LEU 59.A N ALA 55.A O no hydrogen 2.970 N/A GLU 60.A N GLU 56.A O no hydrogen 2.815 N/A ASP 61.A N ILE 58.A O no hydrogen 3.313 N/A ASN 63.A N ASP 61.A OD1 no hydrogen 3.180 N/A ILE 64.A N ASP 61.A O no hydrogen 3.417 N/A GLY 65.A N ARG 3.A O no hydrogen 2.983 N/A ILE 67.A N ASP 88.A O no hydrogen 3.240 N/A VAL 68.A N ALA 5.A O no hydrogen 2.737 N/A SER 69.A N LEU 90.A O no hydrogen 2.985 N/A SER 69.A OG VAL 7.A O no hydrogen 2.632 N/A ALA 70.A N GLY 8.A O no hydrogen 2.904 N/A ALA 71.A N SER 69.A OG no hydrogen 3.067 N/A SER 74.A N ASP 168.A O no hydrogen 3.139 N/A SER 74.A OG ASP 168.A OD1 no hydrogen 3.202 N/A GLU 75.A N VAL 72.A O no hydrogen 2.843 N/A ARG 76.A N SER 73.A O no hydrogen 3.186 N/A ARG 76.A NE ALA 71.A O no hydrogen 2.672 N/A ARG 76.A NH1 LYS 93.A O no hydrogen 2.822 N/A ARG 76.A NH1 PRO 94.A O no hydrogen 2.949 N/A ARG 76.A NH2 ALA 71.A O no hydrogen 2.929 N/A ARG 76.A NH2 ASP 92.A OD2 no hydrogen 3.430 N/A LEU 79.A N GLU 75.A O no hydrogen 3.302 N/A ALA 80.A N ARG 76.A O no hydrogen 2.925 N/A ILE 81.A N ALA 77.A O no hydrogen 3.041 N/A ARG 82.A N GLU 78.A O no hydrogen 3.126 N/A ARG 82.A NH2 GLU 56.A OE1 no hydrogen 2.876 N/A ALA 83.A N LEU 79.A O no hydrogen 2.892 N/A HIS 85.A N ARG 82.A O no hydrogen 3.174 N/A HIS 85.A ND1 ARG 82.A O no hydrogen 2.775 N/A LYS 87.A N ALA 83.A O no hydrogen 2.969 N/A LYS 87.A NZ LEU 59.A O no hydrogen 3.249 N/A LYS 87.A NZ ASP 61.A O no hydrogen 2.999 N/A LYS 87.A NZ HIS 85.A O no hydrogen 3.264 N/A ASP 88.A N GLY 65.A O no hydrogen 3.354 N/A VAL 89.A N ILE 114.A O no hydrogen 2.873 N/A LEU 90.A N ILE 67.A O no hydrogen 2.961 N/A VAL 91.A N SER 116.A O no hydrogen 2.945 N/A ASP 92.A N SER 69.A O no hydrogen 2.789 N/A LYS 93.A NZ ASP 175.A O no hydrogen 2.951 N/A THR 96.A N GLN 100.A OE1 no hydrogen 3.210 N/A GLN 100.A N SER 97.A OG no hydrogen 3.203 N/A GLN 100.A NE2 SER 74.A O no hydrogen 3.188 N/A LEU 101.A N SER 97.A O no hydrogen 3.073 N/A ALA 102.A N PHE 98.A O no hydrogen 2.976 N/A LYS 103.A N ASP 99.A O no hydrogen 2.873 N/A LEU 104.A N GLN 100.A O no hydrogen 2.790 N/A ARG 105.A N LEU 101.A O no hydrogen 3.065 N/A ARG 105.A NH1 GLU 314.A OE1 no hydrogen 3.214 N/A ARG 105.A NH2 GLU 314.A OE1 no hydrogen 3.265 N/A ARG 106.A N ALA 102.A O no hydrogen 3.160 N/A VAL 107.A N LYS 103.A O no hydrogen 3.216 N/A GLN 108.A N LEU 104.A O no hydrogen 2.888 N/A ALA 109.A N ARG 105.A O no hydrogen 3.113 N/A GLU 110.A N ARG 106.A O no hydrogen 2.829 N/A THR 111.A N GLN 108.A O no hydrogen 3.494 N/A THR 111.A OG1 VAL 107.A O no hydrogen 2.708 N/A GLY 112.A N GLN 108.A O no hydrogen 2.822 N/A ARG 113.A N THR 111.A OG1 no hydrogen 3.358 N/A ARG 113.A NE THR 111.A O no hydrogen 3.419 N/A ILE 114.A N ASP 88.A OD1 no hydrogen 2.914 N/A PHE 115.A N GLN 307.A OE1 no hydrogen 3.024 N/A SER 116.A N VAL 89.A O no hydrogen 2.813 N/A LEU 118.A N VAL 91.A O no hydrogen 3.060 N/A TYR 119.A OH CYS 310.A O no hydrogen 2.962 N/A HIS 122.A N TYR 119.A O no hydrogen 2.971 N/A HIS 122.A ND1 GLU 182.A OE1 no hydrogen 2.840 N/A PHE 123.A N TYR 119.A O no hydrogen 3.039 N/A GLU 124.A N SER 120.A O no hydrogen 2.815 N/A SER 125.A N HIS 122.A O no hydrogen 3.252 N/A ALA 127.A N ASN 268.A OD1 no hydrogen 3.330 N/A THR 128.A N SER 125.A O no hydrogen 3.305 N/A VAL 129.A N SER 125.A O no hydrogen 3.150 N/A LYS 130.A N PRO 126.A O no hydrogen 2.708 N/A ALA 131.A N ALA 127.A O no hydrogen 2.870 N/A GLY 132.A N THR 128.A O no hydrogen 2.927 N/A GLU 133.A N VAL 129.A O no hydrogen 3.168 N/A GLU 133.A N LYS 130.A O no hydrogen 2.796 N/A LEU 134.A N LYS 130.A O no hydrogen 3.096 N/A VAL 135.A N ALA 131.A O no hydrogen 3.032 N/A ALA 136.A N GLY 132.A O no hydrogen 3.203 N/A ALA 137.A N GLU 133.A O no hydrogen 3.106 N/A GLY 138.A N VAL 135.A O no hydrogen 2.999 N/A ALA 139.A N LEU 134.A O no hydrogen 3.149 N/A GLY 141.A N GLY 138.A O no hydrogen 3.406 N/A GLU 142.A N THR 249.A OG1 no hydrogen 2.943 N/A VAL 144.A N VAL 247.A O no hydrogen 2.766 N/A HIS 145.A N VAL 247.A O no hydrogen 3.290 N/A ILE 146.A N THR 225.A O no hydrogen 2.986 N/A VAL 147.A N PHE 245.A O no hydrogen 2.877 N/A LEU 149.A N ARG 243.A O no hydrogen 3.031 N/A GLY 150.A N HIS 228.A O no hydrogen 2.809 N/A HIS 152.A N ASN 230.A O no hydrogen 2.921 N/A HIS 152.A NE2 GLU 121.A OE2 no hydrogen 3.025 N/A ARG 159.A N ARG 156.A O no hydrogen 2.871 N/A ARG 159.A NE LEU 154.A O no hydrogen 2.682 N/A ARG 159.A NH2 ARG 153.A O no hydrogen 2.827 N/A ARG 159.A NH2 LEU 154.A O no hydrogen 3.372 N/A PHE 163.A N PRO 160.A O no hydrogen 2.790 N/A PHE 164.A N ASP 161.A O no hydrogen 3.207 N/A ARG 166.A N GLU 210.A OE1 no hydrogen 2.895 N/A ARG 166.A NE GLU 324.A OE2 no hydrogen 3.234 N/A ARG 166.A NH1 ARG 166.A O no hydrogen 3.283 N/A ARG 166.A NH2 GLU 324.A OE1 no hydrogen 3.244 N/A ARG 166.A NH2 GLU 324.A OE2 no hydrogen 3.351 N/A ASP 168.A N ARG 165.A O no hydrogen 3.130 N/A TYR 169.A N ARG 165.A O no hydrogen 2.936 N/A TYR 169.A OH GLU 210.A O no hydrogen 2.731 N/A GLY 170.A N ARG 166.A O no hydrogen 3.137 N/A ILE 172.A N GLN 212.A OE1 no hydrogen 2.969 N/A LEU 173.A N GLN 320.A OE1 no hydrogen 2.851 N/A THR 174.A N GLN 320.A OE1 no hydrogen 3.228 N/A THR 174.A OG1 GLY 170.A O no hydrogen 3.079 N/A ASP 175.A N GLY 171.A O no hydrogen 2.933 N/A ILE 176.A N ILE 172.A O no hydrogen 2.778 N/A ALA 177.A N LEU 173.A O no hydrogen 3.027 N/A SER 178.A OG THR 174.A O no hydrogen 3.334 N/A SER 178.A OG ASP 175.A O no hydrogen 3.273 N/A GLN 180.A NE2 ILE 176.A O no hydrogen 3.455 N/A CYS 181.A N ALA 177.A O no hydrogen 2.968 N/A CYS 181.A SG ALA 177.A O no hydrogen 3.371 N/A GLU 182.A N SER 178.A O no hydrogen 3.005 N/A GLN 183.A N HIS 179.A O no hydrogen 3.025 N/A PHE 184.A N GLN 180.A O no hydrogen 2.834 N/A PHE 184.A N CYS 181.A O no hydrogen 2.996 N/A LEU 185.A N CYS 181.A O no hydrogen 3.199 N/A PHE 186.A N GLU 182.A O no hydrogen 2.888 N/A PHE 187.A N GLN 183.A O no hydrogen 3.182 N/A THR 188.A N PHE 184.A O no hydrogen 3.352 N/A THR 188.A OG1 PHE 184.A O no hydrogen 2.987 N/A THR 188.A OG1 LEU 185.A O no hydrogen 3.557 N/A GLY 189.A N LEU 185.A O no hydrogen 3.152 N/A THR 194.A N SER 220.A O no hydrogen 3.065 N/A LEU 196.A N HIS 218.A O no hydrogen 2.816 N/A SER 197.A N HIS 218.A O no hydrogen 3.370 N/A SER 199.A N SER 216.A O no hydrogen 2.847 N/A GLY 201.A N THR 214.A O no hydrogen 2.794 N/A ASN 202.A ND2 VAL 205.A O no hydrogen 2.970 N/A ASN 202.A ND2 LEU 211.A O no hydrogen 2.980 N/A GLN 203.A N ASP 213.A OD2 no hydrogen 2.977 N/A SER 204.A N ASP 213.A OD2 no hydrogen 2.567 N/A SER 204.A OG ASP 213.A OD1 no hydrogen 3.476 N/A SER 204.A OG ASP 213.A OD2 no hydrogen 2.919 N/A VAL 205.A N ASN 202.A OD1 no hydrogen 3.180 N/A ALA 208.A N VAL 205.A O no hydrogen 2.902 N/A LEU 211.A N ALA 208.A O no hydrogen 3.147 N/A GLN 212.A N TYR 169.A OH no hydrogen 3.005 N/A GLN 212.A NE2 GLU 324.A OE2 no hydrogen 3.304 N/A ASP 213.A N GLY 201.A O no hydrogen 2.638 N/A THR 214.A N GLY 201.A O no hydrogen 3.237 N/A GLY 215.A N VAL 229.A O no hydrogen 3.037 N/A SER 216.A N SER 199.A O no hydrogen 2.864 N/A ILE 217.A N ILE 227.A O no hydrogen 2.687 N/A HIS 218.A N SER 197.A O no hydrogen 2.978 N/A LEU 219.A N GLY 226.A O no hydrogen 2.770 N/A SER 220.A N THR 194.A O no hydrogen 3.084 N/A THR 221.A N THR 224.A O no hydrogen 2.760 N/A THR 221.A OG1 THR 224.A O no hydrogen 3.385 N/A ARG 223.A N THR 221.A O no hydrogen 2.722 N/A THR 224.A N THR 221.A OG1 no hydrogen 3.004 N/A THR 225.A N VAL 144.A O no hydrogen 3.196 N/A GLY 226.A N LEU 219.A O no hydrogen 2.779 N/A HIS 228.A N GLY 148.A O no hydrogen 3.112 N/A HIS 228.A ND1 GLY 215.A O no hydrogen 2.851 N/A VAL 229.A N GLY 215.A O no hydrogen 3.010 N/A ASN 230.A N GLY 150.A O no hydrogen 3.122 N/A ASN 230.A ND2 HIS 228.A NE2 no hydrogen 2.826 N/A TRP 231.A N ASP 213.A O no hydrogen 3.082 N/A LEU 232.A N ASN 230.A OD1 no hydrogen 3.302 N/A THR 233.A N HIS 152.A O no hydrogen 3.135 N/A THR 233.A OG1 TRP 239.A O no hydrogen 2.890 N/A GLY 242.A N GLY 240.A O no hydrogen 2.803 N/A ARG 243.A N LEU 149.A O no hydrogen 3.032 N/A ARG 243.A NE ASP 241.A OD1 no hydrogen 3.128 N/A ARG 243.A NE ASP 241.A OD2 no hydrogen 2.986 N/A ARG 243.A NH1 GLU 254.A OE2 no hydrogen 2.856 N/A ARG 243.A NH2 ASP 241.A OD2 no hydrogen 2.522 N/A LEU 244.A N VAL 255.A O no hydrogen 3.007 N/A PHE 245.A N VAL 147.A O no hydrogen 2.943 N/A ILE 246.A N ILE 253.A O no hydrogen 2.638 N/A VAL 247.A N HIS 145.A O no hydrogen 2.884 N/A GLY 248.A N GLY 251.A O no hydrogen 2.742 N/A THR 249.A N GLU 142.A O no hydrogen 3.002 N/A SER 250.A N ILE 140.A O no hydrogen 2.609 N/A GLY 251.A N ILE 140.A O no hydrogen 3.030 N/A THR 252.A N ALA 273.A O no hydrogen 2.750 N/A ILE 253.A N ILE 246.A O no hydrogen 2.937 N/A GLU 254.A N PHE 271.A O no hydrogen 2.983 N/A VAL 255.A N LEU 244.A O no hydrogen 2.677 N/A ARG 256.A N HIS 269.A O no hydrogen 2.854 N/A ARG 256.A NE GLU 254.A OE2 no hydrogen 2.829 N/A ARG 256.A NH2 GLU 254.A OE1 no hydrogen 3.127 N/A LYS 257.A N GLY 242.A O no hydrogen 2.964 N/A LYS 257.A NZ GLU 121.A O no hydrogen 3.018 N/A LYS 257.A NZ GLN 183.A OE1 no hydrogen 3.207 N/A GLY 263.A N ASP 260.A O no hydrogen 3.040 N/A ARG 264.A N ASP 260.A OD2 no hydrogen 3.372 N/A HIS 269.A N ARG 256.A O no hydrogen 2.763 N/A HIS 269.A NE2 GLY 266.A O no hydrogen 2.932 N/A LEU 270.A N ILE 281.A O no hydrogen 3.126 N/A PHE 271.A N GLU 254.A O no hydrogen 2.885 N/A LEU 272.A N GLU 279.A O no hydrogen 2.987 N/A ALA 273.A N THR 252.A O no hydrogen 2.762 N/A ASP 274.A N GLY 277.A O no hydrogen 2.980 N/A ARG 275.A N ASP 274.A OD1 no hydrogen 2.519 N/A GLU 279.A N LEU 272.A O no hydrogen 3.090 N/A ILE 281.A N LEU 270.A O no hydrogen 3.005 N/A SER 284.A N ASP 282.A OD1 no hydrogen 3.214 N/A SER 284.A OG GLY 267.A O no hydrogen 3.508 N/A SER 284.A OG ASP 282.A OD1 no hydrogen 2.714 N/A VAL 286.A N CYS 283.A O no hydrogen 2.869 N/A GLN 293.A N PRO 289.A O no hydrogen 2.820 N/A PHE 294.A N PHE 290.A O no hydrogen 2.780 N/A LEU 295.A N GLY 291.A O no hydrogen 2.970 N/A ALA 296.A N ARG 292.A O no hydrogen 2.884 N/A ASP 297.A N GLN 293.A O no hydrogen 3.007 N/A ILE 298.A N PHE 294.A O no hydrogen 3.018 N/A ARG 299.A N LEU 295.A O no hydrogen 3.077 N/A ASP 300.A N ALA 296.A O no hydrogen 2.690 N/A ARG 301.A NH1 ASP 88.A OD1 no hydrogen 3.463 N/A ARG 301.A NH1 ASP 88.A OD2 no hydrogen 3.070 N/A ARG 301.A NH1 ILE 298.A O no hydrogen 3.035 N/A ARG 301.A NH2 ASP 88.A OD1 no hydrogen 2.784 N/A ARG 301.A NH2 GLY 112.A O no hydrogen 2.809 N/A THR 302.A OG1 ASP 297.A OD1 no hydrogen 2.940 N/A THR 304.A N ASP 297.A OD1 no hydrogen 2.518 N/A THR 304.A OG1 GLN 293.A O no hydrogen 3.349 N/A THR 304.A OG1 ASP 297.A OD1 no hydrogen 2.441 N/A ALA 305.A N ASP 297.A OD2 no hydrogen 3.128 N/A GLN 307.A NE2 PHE 115.A O no hydrogen 2.553 N/A CYS 310.A N PRO 306.A O no hydrogen 2.980 N/A CYS 310.A SG PHE 115.A O no hydrogen 3.409 N/A PHE 311.A N GLN 307.A O no hydrogen 3.089 N/A LYS 312.A N GLU 308.A O no hydrogen 2.984 N/A ALA 313.A N ARG 309.A O no hydrogen 3.010 N/A LEU 315.A N LYS 312.A O no hydrogen 2.876 N/A ALA 316.A N ALA 313.A O no hydrogen 3.054 N/A GLN 318.A N GLU 314.A O no hydrogen 2.850 N/A ALA 319.A N LEU 315.A O no hydrogen 3.028 N/A GLN 320.A N ALA 316.A O no hydrogen 2.949 N/A GLN 320.A NE2 GLN 212.A OE1 no hydrogen 3.095 N/A GLN 320.A NE2 GLU 324.A OE2 no hydrogen 2.873 N/A ALA 321.A N LEU 317.A O no hydrogen 2.792 N/A ILE 322.A N GLN 318.A O no hydrogen 2.801 N/A ALA 323.A N ALA 319.A O no hydrogen 2.721 N/A GLU 324.A N ALA 321.A O no hydrogen 2.696 N/A