Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8upl_B1.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N ASP 8.A OD2 no hydrogen 3.420 N/A SER 5.A OG THR 7.A OG1 no hydrogen 3.353 N/A THR 7.A N SER 5.A OG no hydrogen 3.190 N/A THR 7.A OG1 SER 5.A OG no hydrogen 3.353 N/A LYS 9.A N SER 5.A O no hydrogen 2.962 N/A SER 10.A N GLY 6.A O no hydrogen 2.871 N/A SER 10.A OG GLY 6.A O no hydrogen 3.087 N/A VAL 11.A N THR 7.A O no hydrogen 2.905 N/A ILE 12.A N ASP 8.A O no hydrogen 2.911 N/A LEU 13.A N LYS 9.A O no hydrogen 2.962 N/A LEU 14.A N SER 10.A O no hydrogen 2.854 N/A MET 15.A N VAL 11.A O no hydrogen 2.937 N/A THR 16.A N LEU 13.A O no hydrogen 3.306 N/A THR 16.A OG1 ILE 12.A O no hydrogen 2.500 N/A THR 16.A OG1 LEU 13.A O no hydrogen 2.746 N/A ILE 17.A N LEU 13.A O no hydrogen 2.949 N/A ALA 22.A N GLY 18.A O no hydrogen 3.088 N/A ALA 23.A N GLU 19.A O no hydrogen 2.948 N/A GLU 24.A N ASP 20.A O no hydrogen 2.855 N/A VAL 25.A N ARG 21.A O no hydrogen 2.932 N/A PHE 26.A N ALA 22.A O no hydrogen 2.929 N/A LYS 27.A N ALA 23.A O no hydrogen 2.904 N/A LYS 27.A NZ ALA 23.A O no hydrogen 3.537 N/A HIS 28.A N VAL 25.A O no hydrogen 3.119 N/A LEU 29.A N PHE 26.A O no hydrogen 2.947 N/A SER 30.A N GLU 33.A OE1 no hydrogen 2.922 N/A SER 30.A OG GLU 33.A OE1 no hydrogen 2.881 N/A GLU 33.A N SER 30.A OG no hydrogen 3.298 N/A VAL 34.A N SER 30.A O no hydrogen 2.987 N/A GLN 35.A N THR 31.A O no hydrogen 2.915 N/A GLN 35.A NE2 THR 39.A OG1 no hydrogen 3.363 N/A ALA 36.A N ARG 32.A O no hydrogen 2.896 N/A LEU 37.A N GLU 33.A O no hydrogen 2.922 N/A SER 38.A N VAL 34.A O no hydrogen 2.851 N/A SER 38.A OG VAL 34.A O no hydrogen 2.973 N/A THR 39.A N GLN 35.A O no hydrogen 2.915 N/A THR 39.A OG1 GLN 35.A O no hydrogen 2.800 N/A ALA 40.A N LEU 37.A O no hydrogen 2.978 N/A ASN 43.A N ALA 40.A O no hydrogen 3.183 N/A VAL 44.A N MET 41.A O no hydrogen 3.322 N/A SER 48.A N GLN 51.A OE1 no hydrogen 2.959 N/A SER 48.A OG GLN 51.A OE1 no hydrogen 2.926 N/A GLN 51.A NE2 SER 2.A O no hydrogen 3.363 N/A GLN 51.A NE2 SER 2.A OG no hydrogen 2.632 N/A LEU 52.A N SER 48.A O no hydrogen 2.874 N/A THR 53.A N ASN 49.A O no hydrogen 2.931 N/A THR 53.A OG1 ASN 49.A O no hydrogen 2.582 N/A ASP 54.A N LYS 50.A O no hydrogen 2.870 N/A VAL 55.A N GLN 51.A O no hydrogen 2.924 N/A LEU 56.A N LEU 52.A O no hydrogen 2.897 N/A SER 57.A N THR 53.A O no hydrogen 2.873 N/A GLU 58.A N ASP 54.A O no hydrogen 2.901 N/A PHE 59.A N VAL 55.A O no hydrogen 2.870 N/A GLU 60.A N LEU 56.A O no hydrogen 2.838 N/A GLN 61.A N SER 57.A O no hydrogen 2.902 N/A GLU 62.A N GLU 58.A O no hydrogen 2.898 N/A ALA 63.A N PHE 59.A O no hydrogen 2.799 N/A GLU 64.A N GLU 60.A O no hydrogen 2.907 N/A PHE 66.A N ALA 63.A O no hydrogen 3.065 N/A GLU 75.A N ASN 74.A OD1 no hydrogen 2.383 N/A TYR 76.A N ASN 72.A O no hydrogen 2.931 N/A LEU 77.A N ALA 73.A O no hydrogen 2.861 N/A ARG 78.A N ASN 74.A O no hydrogen 2.932 N/A ARG 78.A NH1 GLU 87.A O no hydrogen 3.365 N/A ARG 78.A NH1 SER 91.A OG no hydrogen 2.450 N/A ARG 78.A NH2 SER 91.A OG no hydrogen 2.817 N/A SER 79.A N GLU 75.A O no hydrogen 2.890 N/A VAL 80.A N TYR 76.A O no hydrogen 2.949 N/A LEU 81.A N LEU 77.A O no hydrogen 2.864 N/A VAL 82.A N ARG 78.A O no hydrogen 2.921 N/A LYS 83.A N VAL 80.A O no hydrogen 3.325 N/A ALA 84.A N VAL 80.A O no hydrogen 2.922 N/A LEU 85.A N LEU 81.A O no hydrogen 2.891 N/A GLY 86.A N LEU 81.A O no hydrogen 3.278 N/A GLU 88.A N GLU 88.A OE1 no hydrogen 2.595 N/A ALA 90.A N GLY 86.A O no hydrogen 2.899 N/A SER 91.A N GLU 87.A O no hydrogen 2.889 N/A SER 91.A OG GLU 87.A O no hydrogen 2.821 N/A SER 92.A N GLU 88.A O no hydrogen 2.929 N/A SER 92.A OG GLU 88.A O no hydrogen 2.991 N/A SER 92.A OG ARG 89.A O no hydrogen 2.841 N/A LEU 93.A N ARG 89.A O no hydrogen 2.924 N/A LEU 94.A N ALA 90.A O no hydrogen 2.913 N/A GLU 95.A N SER 91.A O no hydrogen 2.950 N/A ASP 96.A N SER 92.A O no hydrogen 2.911 N/A ILE 97.A N LEU 93.A O no hydrogen 2.929 N/A LEU 98.A N LEU 94.A O no hydrogen 2.908 N/A GLU 99.A N GLU 95.A O no hydrogen 2.890 N/A THR 100.A N ASP 96.A O no hydrogen 2.942 N/A THR 100.A OG1 ASP 96.A O no hydrogen 2.909 N/A ARG 101.A N ILE 97.A O no hydrogen 2.947 N/A ASP 102.A N LEU 98.A O no hydrogen 2.870 N/A THR 103.A N GLU 99.A O no hydrogen 2.938 N/A THR 104.A N THR 100.A O no hydrogen 2.962 N/A THR 104.A OG1 THR 100.A O no hydrogen 2.943 N/A THR 104.A OG1 ARG 101.A O no hydrogen 2.747 N/A SER 105.A N ARG 101.A O no hydrogen 2.871 N/A SER 105.A OG ARG 101.A O no hydrogen 2.904 N/A GLY 106.A N ASP 102.A O no hydrogen 2.906 N/A ILE 107.A N THR 103.A O no hydrogen 2.917 N/A GLU 108.A N THR 104.A O no hydrogen 2.933 N/A THR 109.A N SER 105.A O no hydrogen 2.870 N/A THR 109.A OG1 SER 105.A O no hydrogen 2.495 N/A LEU 110.A N GLY 106.A O no hydrogen 2.892 N/A ASN 111.A N ILE 107.A O no hydrogen 2.967 N/A ASN 111.A N GLU 108.A O no hydrogen 3.123 N/A GLN 116.A N GLU 114.A OE2 no hydrogen 3.260 N/A SER 117.A N GLU 114.A OE1 no hydrogen 2.963 N/A SER 117.A OG GLU 114.A OE1 no hydrogen 2.634 N/A ALA 119.A N PRO 115.A O no hydrogen 2.911 N/A ASP 120.A N GLN 116.A O no hydrogen 2.886 N/A LEU 121.A N SER 117.A O no hydrogen 2.921 N/A ILE 122.A N ALA 118.A O no hydrogen 2.917 N/A ARG 123.A NH2 LEU 148.A O no hydrogen 3.482 N/A GLU 125.A N ILE 122.A O no hydrogen 3.139 N/A GLN 128.A N HIS 126.A ND1 no hydrogen 3.105 N/A ILE 130.A N HIS 126.A O no hydrogen 2.941 N/A ALA 131.A N PRO 127.A O no hydrogen 2.846 N/A THR 132.A N GLN 128.A O no hydrogen 3.018 N/A ILE 133.A N ILE 129.A O no hydrogen 2.937 N/A LEU 134.A N ILE 130.A O no hydrogen 2.822 N/A VAL 135.A N ALA 131.A O no hydrogen 2.996 N/A HIS 136.A N THR 132.A O no hydrogen 3.020 N/A LEU 137.A N LEU 134.A O no hydrogen 3.240 N/A GLN 141.A NE2 MET 113.A O no hydrogen 3.088 N/A ALA 142.A N LYS 138.A O no hydrogen 2.591 N/A ALA 143.A N ARG 139.A O no hydrogen 2.875 N/A ASP 144.A N SER 140.A O no hydrogen 2.932 N/A ILE 145.A N GLN 141.A O no hydrogen 2.900 N/A LEU 146.A N ALA 142.A O no hydrogen 2.881 N/A ALA 147.A N ALA 143.A O no hydrogen 2.939 N/A LEU 148.A N ILE 145.A O no hydrogen 3.230 N/A LEU 153.A N ASP 150.A OD1 no hydrogen 2.814 N/A ARG 154.A N ASP 150.A O no hydrogen 2.931 N/A ARG 154.A NH2 PHE 149.A O no hydrogen 2.595 N/A HIS 155.A N GLU 151.A O no hydrogen 2.905 N/A ASP 156.A N ARG 152.A O no hydrogen 2.917 N/A VAL 157.A N LEU 153.A O no hydrogen 2.912 N/A MET 158.A N ARG 154.A O no hydrogen 2.974 N/A LEU 159.A N HIS 155.A O no hydrogen 2.931 N/A ARG 160.A N ASP 156.A O no hydrogen 2.914 N/A ARG 160.A NH2 ASP 156.A OD2 no hydrogen 2.771 N/A ILE 161.A N VAL 157.A O no hydrogen 2.968 N/A ALA 162.A N MET 158.A O no hydrogen 2.852 N/A THR 163.A N LEU 159.A O no hydrogen 2.902 N/A THR 163.A OG1 LEU 159.A O no hydrogen 2.510 N/A THR 163.A OG1 ARG 160.A O no hydrogen 3.556 N/A PHE 164.A N ILE 161.A O no hydrogen 3.013 N/A ALA 170.A N GLN 168.A OE1 no hydrogen 3.474 N/A THR 173.A N LEU 169.A O no hydrogen 2.859 N/A THR 173.A OG1 ALA 170.A O no hydrogen 2.548 N/A GLU 174.A N ALA 170.A O no hydrogen 2.972 N/A VAL 175.A N GLU 171.A O no hydrogen 2.856 N/A LEU 176.A N LEU 172.A O no hydrogen 2.896 N/A ASN 177.A N THR 173.A O no hydrogen 2.928 N/A GLY 178.A N GLU 174.A O no hydrogen 2.870 N/A LEU 179.A N VAL 175.A O no hydrogen 2.900 N/A LEU 180.A N LEU 176.A O no hydrogen 2.893 N/A ASP 181.A N ASN 177.A O no hydrogen 2.923 N/A GLY 182.A N GLY 178.A O no hydrogen 2.884 N/A GLN 183.A N LEU 179.A O no hydrogen 2.855 N/A ASN 184.A N LEU 180.A O no hydrogen 2.933 N/A LEU 185.A N GLN 183.A O no hydrogen 2.710 N/A ARG 187.A NH2 LYS 189.A O no hydrogen 3.424 N/A THR 195.A N GLY 191.A O no hydrogen 3.432 N/A THR 195.A OG1 GLY 191.A O no hydrogen 2.244 N/A ALA 197.A N VAL 193.A O no hydrogen 2.883 N/A GLU 198.A N ARG 194.A O no hydrogen 2.932 N/A ILE 199.A N THR 195.A O no hydrogen 2.907 N/A ILE 200.A N ALA 196.A O no hydrogen 2.910 N/A ASN 201.A N ALA 197.A O no hydrogen 2.868 N/A LEU 202.A N GLU 198.A O no hydrogen 2.902 N/A MET 203.A N ILE 199.A O no hydrogen 2.937 N/A MET 203.A N ILE 200.A O no hydrogen 3.257 N/A GLN 206.A N GLN 206.A OE1 no hydrogen 2.615 N/A GLU 208.A N LYS 204.A O no hydrogen 2.768 N/A GLU 209.A N THR 205.A O no hydrogen 2.911 N/A ALA 210.A N GLN 206.A O no hydrogen 2.958 N/A VAL 211.A N GLN 207.A O no hydrogen 2.910 N/A ILE 212.A N GLU 208.A O no hydrogen 2.848 N/A THR 213.A N GLU 209.A O no hydrogen 2.914 N/A THR 213.A OG1 GLU 209.A O no hydrogen 3.106 N/A THR 213.A OG1 ALA 210.A O no hydrogen 2.438 N/A ALA 214.A N ALA 210.A O no hydrogen 2.934 N/A VAL 215.A N VAL 211.A O no hydrogen 2.966 N/A ARG 216.A N ILE 212.A O no hydrogen 2.875 N/A GLU 217.A N THR 213.A O no hydrogen 2.919 N/A PHE 218.A N ALA 214.A O no hydrogen 2.949 N/A ASP 219.A N VAL 215.A O no hydrogen 2.826 N/A GLU 221.A N GLU 221.A OE1 no hydrogen 2.534 N/A LEU 222.A N ASP 219.A OD1 no hydrogen 3.149 N/A ALA 223.A N ASP 219.A O no hydrogen 3.328 N/A GLN 224.A N GLY 220.A O no hydrogen 2.907 N/A LYS 225.A N GLU 221.A O no hydrogen 2.897 N/A ILE 226.A N LEU 222.A O no hydrogen 2.899 N/A ILE 227.A N ALA 223.A O no hydrogen 2.926 N/A ASP 228.A N GLN 224.A O no hydrogen 2.861 N/A GLU 229.A N LYS 225.A O no hydrogen 2.936 N/A GLU 229.A N ILE 226.A O no hydrogen 3.095 N/A MET 230.A N ILE 226.A O no hydrogen 2.914 N/A PHE 231.A N ILE 227.A O no hydrogen 2.878 N/A GLU 234.A N GLU 234.A OE1 no hydrogen 2.728 N/A LEU 236.A N PHE 233.A O no hydrogen 3.462 N/A VAL 237.A N GLU 234.A O no hydrogen 3.112 N/A ASP 238.A N ASN 235.A O no hydrogen 2.929 N/A ARG 242.A NH1 ARG 242.A O no hydrogen 3.115 N/A ILE 244.A N ASP 240.A O no hydrogen 3.079 N/A GLN 245.A N ASP 241.A O no hydrogen 2.924 N/A GLN 245.A NE2 ASN 274.A O no hydrogen 3.021 N/A ARG 246.A N ARG 242.A O no hydrogen 2.919 N/A ARG 246.A NE GLU 317.A OE1 no hydrogen 2.947 N/A ARG 246.A NH1 ARG 246.A O no hydrogen 2.370 N/A ARG 246.A NH1 GLN 249.A OE1 no hydrogen 3.460 N/A ARG 246.A NH2 GLU 317.A OE1 no hydrogen 3.326 N/A LEU 247.A N SER 243.A O no hydrogen 2.906 N/A LEU 248.A N ILE 244.A O no hydrogen 2.863 N/A GLN 249.A N GLN 245.A O no hydrogen 2.960 N/A GLU 250.A N LEU 247.A O no hydrogen 2.722 N/A VAL 251.A N LEU 247.A O no hydrogen 2.866 N/A SER 255.A OG ASP 252.A O no hydrogen 2.547 N/A LEU 256.A N ASP 252.A O no hydrogen 2.937 N/A LEU 257.A N SER 253.A O no hydrogen 2.887 N/A ILE 258.A N GLU 254.A O no hydrogen 2.911 N/A ALA 259.A N SER 255.A O no hydrogen 2.914 N/A LEU 260.A N LEU 256.A O no hydrogen 2.897 N/A LYS 261.A N ILE 258.A O no hydrogen 3.349 N/A LYS 261.A NZ LEU 287.A O no hydrogen 3.504 N/A LYS 261.A NZ ARG 290.A O no hydrogen 2.850 N/A LYS 261.A NZ GLY 291.A O no hydrogen 3.121 N/A ALA 263.A N LEU 260.A O no hydrogen 3.291 N/A ARG 268.A N GLU 264.A O no hydrogen 2.900 N/A ARG 268.A NE ALA 263.A O no hydrogen 2.748 N/A ARG 268.A NH2 ALA 263.A O no hydrogen 2.602 N/A GLU 269.A N PRO 265.A O no hydrogen 2.894 N/A LYS 270.A N PRO 266.A O no hydrogen 2.937 N/A LYS 270.A NZ VAL 237.A O no hydrogen 2.416 N/A LYS 270.A NZ VAL 239.A O no hydrogen 2.674 N/A PHE 271.A N LEU 267.A O no hydrogen 2.876 N/A LEU 272.A N ARG 268.A O no hydrogen 2.897 N/A ARG 273.A NE ASP 241.A OD1 no hydrogen 3.426 N/A ARG 273.A NE ASP 241.A OD2 no hydrogen 3.025 N/A ARG 273.A NH2 ASP 241.A OD1 no hydrogen 3.208 N/A ARG 273.A NH2 ASP 241.A OD2 no hydrogen 2.762 N/A ASN 274.A N PHE 271.A O no hydrogen 3.167 N/A ASN 274.A ND2 ASP 241.A OD1 no hydrogen 3.090 N/A ASN 274.A ND2 PHE 271.A O no hydrogen 3.623 N/A ALA 279.A N SER 276.A OG no hydrogen 3.088 N/A ALA 280.A N SER 276.A O no hydrogen 2.864 N/A ASP 281.A N GLN 277.A O no hydrogen 2.914 N/A ILE 282.A N ARG 278.A O no hydrogen 2.905 N/A LEU 283.A N ALA 279.A O no hydrogen 2.883 N/A ARG 284.A N ALA 280.A O no hydrogen 2.899 N/A ASP 285.A N ASP 281.A O no hydrogen 2.927 N/A ASP 286.A N ILE 282.A O no hydrogen 2.879 N/A LEU 287.A N LEU 283.A O no hydrogen 2.881 N/A ALA 288.A N ARG 284.A O no hydrogen 2.925 N/A ASN 289.A N ASP 285.A O no hydrogen 2.903 N/A ARG 290.A N ASP 286.A O no hydrogen 2.877 N/A ARG 290.A NH1 PRO 292.A O no hydrogen 3.169 N/A VAL 298.A N ARG 294.A O no hydrogen 2.955 N/A GLU 299.A N LEU 295.A O no hydrogen 2.859 N/A ASN 300.A N SER 296.A O no hydrogen 2.900 N/A GLU 301.A N GLN 297.A O no hydrogen 2.941 N/A GLN 302.A N VAL 298.A O no hydrogen 2.912 N/A GLN 302.A NE2 ALA 259.A O no hydrogen 3.323 N/A LYS 303.A N GLU 299.A O no hydrogen 2.869 N/A ALA 304.A N ASN 300.A O no hydrogen 2.917 N/A ILE 305.A N GLU 301.A O no hydrogen 2.923 N/A LEU 306.A N GLN 302.A O no hydrogen 2.887 N/A LEU 307.A N LYS 303.A O no hydrogen 2.885 N/A ILE 308.A N ALA 304.A O no hydrogen 2.937 N/A VAL 309.A N ILE 305.A O no hydrogen 2.898 N/A ARG 310.A N LEU 306.A O no hydrogen 2.872 N/A ARG 311.A N LEU 307.A O no hydrogen 2.958 N/A LEU 312.A N ILE 308.A O no hydrogen 2.946 N/A ALA 313.A N VAL 309.A O no hydrogen 2.874 N/A GLU 314.A N ARG 310.A O no hydrogen 2.883 N/A THR 315.A N ARG 311.A O no hydrogen 2.953 N/A THR 315.A OG1 LEU 312.A O no hydrogen 2.454 N/A THR 315.A OG1 GLU 317.A OE2 no hydrogen 3.351 N/A GLY 316.A N ALA 313.A O no hydrogen 2.908 N/A MET 318.A N LEU 312.A O no hydrogen 3.443 N/A SER 322.A N ILE 320.A O no hydrogen 2.573 N/A