Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4b4u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 248.A O no hydrogen 3.006 N/A ALA 2.A N GLU 248.A O no hydrogen 3.143 N/A LEU 3.A N SER 252.A O no hydrogen 2.879 N/A LEU 5.A N TYR 254.A O no hydrogen 2.787 N/A ARG 8.A N GLY 259.A O no hydrogen 3.233 N/A ALA 9.A N ASP 6.A OD1 no hydrogen 2.992 N/A LEU 10.A N ASP 6.A O no hydrogen 3.156 N/A ALA 11.A N GLY 7.A O no hydrogen 2.883 N/A LYS 12.A N ARG 8.A O no hydrogen 3.138 N/A GLN 13.A N ALA 9.A O no hydrogen 3.006 N/A ILE 14.A N LEU 10.A O no hydrogen 2.928 N/A GLU 15.A N ALA 11.A O no hydrogen 2.893 N/A GLU 16.A N LYS 12.A O no hydrogen 3.325 N/A GLU 16.A N GLN 13.A O no hydrogen 3.218 N/A LEU 18.A N ILE 14.A O no hydrogen 3.140 N/A LEU 19.A N GLU 15.A O no hydrogen 2.925 N/A VAL 20.A N GLU 16.A O no hydrogen 3.297 N/A ARG 21.A N ASN 17.A O no hydrogen 2.974 N/A ARG 21.A NE GLU 278.A OE2 no hydrogen 2.967 N/A ARG 21.A NH2 GLU 278.A OE1 no hydrogen 2.740 N/A VAL 22.A N LEU 18.A O no hydrogen 2.854 N/A GLU 23.A N LEU 19.A O no hydrogen 2.870 N/A ALA 24.A N VAL 20.A O no hydrogen 2.959 N/A LEU 25.A N ARG 21.A O no hydrogen 2.954 N/A LYS 26.A N VAL 22.A O no hydrogen 2.875 N/A LYS 26.A NZ GLU 23.A OE2.A no hydrogen 2.900 N/A LYS 26.A NZ GLY 61.A O no hydrogen 2.822 N/A ALA 27.A N GLU 23.A O no hydrogen 3.014 N/A LYS 28.A N ALA 24.A O no hydrogen 2.987 N/A LYS 28.A NZ GLY 282.A O no hydrogen 3.033 N/A THR 29.A N LEU 25.A O no hydrogen 2.975 N/A THR 29.A OG1 LEU 25.A O no hydrogen 2.788 N/A GLY 30.A N LYS 26.A O no hydrogen 2.775 N/A ARG 31.A N THR 29.A OG1 no hydrogen 3.114 N/A ILE 34.A N HIS 92.A ND1 no hydrogen 3.047 N/A LEU 35.A N ASP 63.A O no hydrogen 3.081 N/A ALA 36.A N GLY 93.A O no hydrogen 2.844 N/A THR 37.A N LEU 65.A O no hydrogen 2.935 N/A ILE 38.A N LEU 95.A O no hydrogen 2.778 N/A LEU 39.A N ILE 67.A O no hydrogen 2.893 N/A GLY 41.A N LEU 69.A O no hydrogen 2.756 N/A ASP 42.A N GLN 71.A OE1 no hydrogen 2.858 N/A SER 46.A N ASP 43.A OD2 no hydrogen 2.960 N/A SER 46.A OG ASP 43.A OD2 no hydrogen 2.904 N/A ALA 47.A N ASP 43.A O no hydrogen 3.190 N/A THR 48.A N GLY 44.A O no hydrogen 3.077 N/A THR 48.A OG1 GLY 44.A O no hydrogen 3.184 N/A TYR 49.A N ALA 45.A O no hydrogen 2.914 N/A VAL 50.A N SER 46.A O no hydrogen 2.945 N/A ARG 51.A N ALA 47.A O no hydrogen 3.068 N/A MET 52.A N THR 48.A O no hydrogen 2.929 N/A LYS 53.A N TYR 49.A O no hydrogen 2.966 N/A LYS 53.A NZ GLN 97.A OE1 no hydrogen 2.903 N/A GLY 54.A N VAL 50.A O no hydrogen 2.895 N/A ASN 55.A N ARG 51.A O no hydrogen 2.812 N/A ALA 56.A N MET 52.A O no hydrogen 3.008 N/A CYS 57.A N LYS 53.A O no hydrogen 3.002 N/A CYS 57.A SG.A LYS 53.A O no hydrogen 3.558 N/A CYS 57.A SG.B ASP 63.A O no hydrogen 2.991 N/A ARG 58.A N GLY 54.A O no hydrogen 3.079 N/A ARG 58.A NH1 SER 64.A OG no hydrogen 3.143 N/A ARG 58.A NH2 ASN 55.A OD1 no hydrogen 3.079 N/A ARG 59.A N ASN 55.A O no hydrogen 2.910 N/A ARG 59.A NE GLU 15.A OE1 no hydrogen 2.759 N/A ARG 59.A NE GLU 15.A OE2 no hydrogen 3.399 N/A ARG 59.A NH2 GLU 15.A OE2 no hydrogen 2.849 N/A VAL 60.A N ALA 56.A O no hydrogen 3.329 N/A VAL 60.A N CYS 57.A O no hydrogen 3.249 N/A GLY 61.A N ARG 58.A O no hydrogen 3.029 N/A MET 62.A N CYS 57.A O no hydrogen 2.954 N/A ASP 63.A N PRO 33.A O no hydrogen 3.047 N/A LEU 65.A N LEU 35.A O no hydrogen 2.851 N/A ILE 67.A N THR 37.A O no hydrogen 2.801 N/A LEU 69.A N LEU 39.A O no hydrogen 2.879 N/A THR 73.A N PRO 70.A O no hydrogen 3.050 N/A THR 73.A OG1 PRO 70.A O no hydrogen 2.723 N/A THR 74.A N GLN 77.A OE1 no hydrogen 3.052 N/A GLN 77.A N THR 74.A OG1 no hydrogen 3.125 N/A LEU 78.A N THR 74.A O no hydrogen 2.958 N/A LEU 79.A N THR 75.A O no hydrogen 2.869 N/A ALA 80.A N GLU 76.A O no hydrogen 3.031 N/A GLU 81.A N GLN 77.A O no hydrogen 3.084 N/A ILE 82.A N LEU 78.A O no hydrogen 2.949 N/A GLU 83.A N LEU 79.A O no hydrogen 2.895 N/A LYS 84.A N ALA 80.A O no hydrogen 3.045 N/A LEU 85.A N GLU 81.A O no hydrogen 3.077 N/A ASN 86.A N ILE 82.A O no hydrogen 2.846 N/A ASN 86.A ND2 GLU 83.A OE1 no hydrogen 3.141 N/A ASN 86.A ND2 ALA 112.A O no hydrogen 2.801 N/A ALA 87.A N GLU 83.A O no hydrogen 3.202 N/A ALA 87.A N LYS 84.A O no hydrogen 3.227 N/A ASN 88.A N LEU 85.A O no hydrogen 3.141 N/A ASP 90.A N ASN 88.A OD1 no hydrogen 2.875 N/A VAL 91.A N ASN 88.A O no hydrogen 3.117 N/A HIS 92.A N ILE 34.A O no hydrogen 2.863 N/A GLY 93.A N ILE 34.A O no hydrogen 3.291 N/A ILE 94.A N LYS 117.A O no hydrogen 2.885 N/A LEU 95.A N ALA 36.A O no hydrogen 2.834 N/A GLN 97.A N ILE 38.A O no hydrogen 3.008 N/A GLN 97.A NE2 HIS 98.A O no hydrogen 3.068 N/A HIS 98.A ND1 GLU 106.A OE1 no hydrogen 2.659 N/A VAL 100.A N GLU 106.A OE2 no hydrogen 2.894 N/A GLN 103.A N GLN 103.A OE1 no hydrogen 2.876 N/A GLN 103.A NE2 GLN 71.A O no hydrogen 2.788 N/A GLN 103.A NE2 THR 73.A O no hydrogen 2.803 N/A ILE 104.A N PRO 101.A O no hydrogen 3.004 N/A ASP 105.A N THR 75.A OG1 no hydrogen 2.894 N/A ARG 107.A NH1 ASP 111.A OD1 no hydrogen 2.865 N/A ARG 107.A NH1 VAL 122.A O no hydrogen 2.738 N/A ARG 107.A NH2 VAL 122.A O no hydrogen 3.542 N/A ALA 108.A N ASP 105.A OD1 no hydrogen 3.140 N/A CYS 109.A N ASP 105.A O no hydrogen 3.168 N/A CYS 109.A SG ASP 105.A O no hydrogen 3.476 N/A PHE 110.A N GLU 106.A O no hydrogen 2.783 N/A ASP 111.A N ARG 107.A O no hydrogen 2.966 N/A ALA 112.A N CYS 109.A O no hydrogen 3.064 N/A ILE 113.A N PHE 110.A O no hydrogen 3.142 N/A SER 114.A N ASN 86.A OD1 no hydrogen 2.982 N/A LYS 117.A N SER 114.A O no hydrogen 2.929 N/A LYS 117.A N SER 114.A OG.A no hydrogen 3.289 N/A LYS 117.A NZ LEU 85.A O no hydrogen 2.905 N/A LYS 117.A NZ ASN 86.A O no hydrogen 3.065 N/A LYS 117.A NZ VAL 91.A O no hydrogen 2.812 N/A ASP 118.A N LEU 115.A O no hydrogen 3.188 N/A VAL 119.A N LYS 117.A O no hydrogen 2.865 N/A GLY 121.A N ASP 118.A O no hydrogen 2.921 N/A VAL 122.A N ASP 118.A OD1 no hydrogen 2.905 N/A THR 123.A N ASP 118.A OD2 no hydrogen 3.008 N/A THR 123.A OG1 ASP 118.A OD2 no hydrogen 2.773 N/A CYS 124.A N ASP 111.A OD1 no hydrogen 2.926 N/A CYS 124.A SG.A ASP 111.A OD1 no hydrogen 3.589 N/A CYS 124.A SG.A ASP 111.A OD2 no hydrogen 3.422 N/A GLY 126.A N THR 123.A OG1 no hydrogen 2.895 N/A PHE 127.A N THR 123.A O no hydrogen 2.979 N/A GLY 128.A N CYS 124.A O no hydrogen 2.908 N/A ARG 129.A N LEU 125.A O no hydrogen 2.881 N/A ARG 129.A NE ALA 135.A O no hydrogen 2.882 N/A ARG 129.A NH2 ALA 135.A O no hydrogen 2.924 N/A MET 130.A N GLY 126.A O no hydrogen 2.915 N/A ALA 131.A N PHE 127.A O no hydrogen 2.850 N/A MET 132.A N GLY 128.A O no hydrogen 3.093 N/A MET 132.A N ARG 129.A O no hydrogen 3.124 N/A GLY 133.A N MET 130.A O no hydrogen 3.025 N/A GLU 134.A N ARG 129.A O no hydrogen 2.802 N/A GLY 138.A N GLN 272.A OE1 no hydrogen 2.912 N/A SER 139.A OG.A ILE 169.A O no hydrogen 2.587 N/A SER 139.A OG.B GLY 121.A O no hydrogen 2.719 N/A ALA 140.A N ASP 120.A O no hydrogen 3.097 N/A THR 141.A OG1 THR 265.A OG1 no hydrogen 2.834 N/A ALA 143.A N SER 139.A O no hydrogen 2.966 N/A GLY 144.A N ALA 140.A O no hydrogen 2.896 N/A ILE 145.A N THR 141.A O no hydrogen 2.990 N/A MET 146.A N PRO 142.A O no hydrogen 2.955 N/A THR 147.A N ALA 143.A O no hydrogen 3.020 N/A THR 147.A OG1 ALA 143.A O no hydrogen 3.091 N/A ILE 148.A N GLY 144.A O no hydrogen 2.909 N/A LEU 149.A N ILE 145.A O no hydrogen 2.925 N/A LYS 150.A N MET 146.A O no hydrogen 2.909 N/A LYS 150.A NZ.B MET 146.A O no hydrogen 2.895 N/A GLU 151.A N THR 147.A O no hydrogen 2.889 N/A ASN 152.A N ILE 148.A O no hydrogen 3.139 N/A ASN 152.A ND2 ILE 148.A O no hydrogen 2.907 N/A ASN 153.A N LYS 150.A O no hydrogen 3.029 N/A ILE 154.A N LEU 149.A O no hydrogen 2.937 N/A GLY 158.A N ASN 182.A O no hydrogen 2.866 N/A LYS 159.A N ILE 156.A O no hydrogen 3.038 N/A HIS 160.A N ASP 203.A OD2 no hydrogen 2.902 N/A HIS 160.A NE2 THR 186.A OG1 no hydrogen 2.692 N/A ALA 161.A N THR 184.A O no hydrogen 2.737 N/A VAL 162.A N ILE 204.A O no hydrogen 2.835 N/A VAL 163.A N THR 186.A O no hydrogen 2.911 N/A VAL 164.A N VAL 206.A O no hydrogen 2.929 N/A GLY 165.A N CYS 188.A O no hydrogen 2.884 N/A LEU 170.A N SER 167.A O no hydrogen 3.320 N/A GLY 171.A N SER 167.A OG no hydrogen 3.430 N/A LYS 172.A N SER 167.A O no hydrogen 2.916 N/A MET 174.A N LEU 170.A O no hydrogen 2.876 N/A ALA 175.A N GLY 171.A O no hydrogen 2.978 N/A MET 176.A N LYS 172.A O no hydrogen 3.079 N/A MET 177.A N PRO 173.A O no hydrogen 2.865 N/A LEU 178.A N MET 174.A O no hydrogen 2.955 N/A LEU 179.A N ALA 175.A O no hydrogen 2.980 N/A GLN 180.A N MET 176.A O no hydrogen 3.016 N/A GLN 180.A NE2.B MET 130.A O no hydrogen 2.990 N/A GLN 180.A NE2.B ALA 131.A O no hydrogen 2.716 N/A ALA 181.A N MET 177.A O no hydrogen 3.191 N/A ASN 182.A N LEU 179.A O no hydrogen 2.856 N/A ALA 183.A N LEU 178.A O no hydrogen 3.110 N/A THR 184.A N LYS 159.A O no hydrogen 2.855 N/A THR 186.A N ALA 161.A O no hydrogen 2.878 N/A THR 186.A OG1 HIS 160.A NE2 no hydrogen 2.692 N/A CYS 188.A N VAL 163.A O no hydrogen 2.902 N/A HIS 189.A N THR 192.A OG1 no hydrogen 2.975 N/A ARG 191.A N HIS 189.A ND1 no hydrogen 3.078 N/A THR 192.A N HIS 189.A O no hydrogen 3.052 N/A THR 192.A OG1 HIS 189.A O no hydrogen 3.264 N/A LEU 198.A N ASN 194.A O no hydrogen 3.130 N/A VAL 199.A N LEU 195.A O no hydrogen 2.921 N/A LYS 200.A N PRO 196.A O no hydrogen 2.954 N/A LYS 200.A NZ.A GLU 197.A OE1.B no hydrogen 3.332 N/A LYS 200.A NZ.B ASP 218.A O no hydrogen 2.853 N/A LYS 200.A NZ.B ILE 220.A O no hydrogen 3.087 N/A GLN 201.A N LEU 198.A O no hydrogen 3.116 N/A ALA 202.A N VAL 199.A O no hydrogen 2.905 N/A ASP 203.A N HIS 160.A O no hydrogen 2.827 N/A ILE 204.A N HIS 160.A O no hydrogen 3.302 N/A ILE 205.A N VAL 225.A O no hydrogen 2.932 N/A VAL 206.A N VAL 162.A O no hydrogen 2.931 N/A GLY 207.A N VAL 227.A O no hydrogen 2.838 N/A ALA 208.A N VAL 164.A O no hydrogen 2.824 N/A VAL 209.A N ASP 241.A OD2 no hydrogen 2.852 N/A GLY 210.A N ASP 241.A OD2 no hydrogen 2.899 N/A GLU 213.A N GLY 240.A O no hydrogen 2.859 N/A LEU 214.A N LYS 211.A O no hydrogen 3.253 N/A ILE 215.A N ASP 241.A O no hydrogen 2.988 N/A GLN 216.A NE2 LEU 214.A O no hydrogen 3.283 N/A LYS 217.A N GLN 243.A OE1 no hydrogen 2.863 N/A TRP 219.A N GLN 216.A O no hydrogen 2.940 N/A ILE 220.A N LYS 217.A O no hydrogen 3.029 N/A LYS 221.A NZ ASP 203.A OD1 no hydrogen 2.846 N/A GLN 222.A NE2 GLU 249.A O no hydrogen 3.027 N/A GLY 223.A N ILE 250.A O no hydrogen 2.756 N/A ALA 224.A N LYS 221.A O no hydrogen 2.958 N/A VAL 225.A N ASP 203.A O no hydrogen 2.851 N/A VAL 226.A N ALA 253.A O no hydrogen 2.925 N/A VAL 227.A N ILE 205.A O no hydrogen 2.841 N/A ASP 228.A N THR 255.A OG1 no hydrogen 2.843 N/A ALA 229.A N GLY 207.A O no hydrogen 2.969 N/A GLY 230.A N ASP 228.A OD1 no hydrogen 2.929 N/A HIS 232.A N VAL 239.A O no hydrogen 2.763 N/A HIS 232.A NE2 ASP 241.A OD1 no hydrogen 2.795 N/A GLY 237.A N ARG 234.A O no hydrogen 3.018 N/A VAL 239.A N HIS 232.A O no hydrogen 3.010 N/A ASP 241.A N ASP 228.A OD1 no hydrogen 2.719 N/A ILE 242.A N ASP 228.A OD2 no hydrogen 2.983 N/A GLN 243.A N ILE 215.A O no hydrogen 2.904 N/A ILE 247.A N LEU 244.A O no hydrogen 2.937 N/A GLU 248.A N GLU 248.A OE2 no hydrogen 2.955 N/A GLU 249.A N GLY 246.A O no hydrogen 3.130 N/A ILE 250.A N ILE 247.A O no hydrogen 2.956 N/A ALA 251.A N ILE 247.A O no hydrogen 2.950 N/A SER 252.A N ALA 224.A O no hydrogen 2.813 N/A SER 252.A OG GLY 223.A O no hydrogen 2.738 N/A SER 252.A OG ALA 224.A O no hydrogen 3.398 N/A TYR 254.A N LEU 3.A O no hydrogen 2.940 N/A THR 255.A N VAL 226.A O no hydrogen 2.991 N/A THR 255.A OG1 VAL 226.A O no hydrogen 3.531 N/A THR 265.A N VAL 261.A O no hydrogen 2.981 N/A THR 265.A OG1 THR 141.A OG1 no hydrogen 2.834 N/A THR 265.A OG1 VAL 261.A O no hydrogen 3.358 N/A ILE 266.A N GLY 262.A O no hydrogen 3.432 N/A THR 267.A N PRO 263.A O no hydrogen 2.975 N/A THR 267.A OG1 PRO 263.A O no hydrogen 2.844 N/A THR 268.A N MET 264.A O no hydrogen 2.965 N/A THR 268.A OG1 ALA 140.A O no hydrogen 3.560 N/A THR 268.A OG1 MET 264.A O no hydrogen 2.713 N/A LEU 269.A N THR 265.A O no hydrogen 3.231 N/A ILE 270.A N ILE 266.A O no hydrogen 3.049 N/A ARG 271.A N THR 267.A O no hydrogen 2.810 N/A ARG 271.A NH1 GLU 275.A OE2 no hydrogen 2.867 N/A GLN 272.A N THR 268.A O no hydrogen 2.944 N/A GLN 272.A NE2 VAL 119.A O no hydrogen 2.827 N/A GLN 272.A NE2 GLY 138.A O no hydrogen 2.961 N/A THR 273.A N LEU 269.A O no hydrogen 2.967 N/A THR 273.A OG1 LEU 269.A O no hydrogen 2.891 N/A VAL 274.A N ILE 270.A O no hydrogen 2.915 N/A GLU 275.A N ARG 271.A O no hydrogen 2.914 N/A ALA 276.A N GLN 272.A O no hydrogen 2.875 N/A ALA 277.A N THR 273.A O no hydrogen 2.877 N/A GLU 278.A N VAL 274.A O no hydrogen 2.859 N/A LYS 279.A N GLU 275.A O no hydrogen 3.003 N/A ALA 280.A N ALA 276.A O no hydrogen 2.970 N/A LEU 281.A N ALA 277.A O no hydrogen 2.828 N/A GLY 282.A N GLU 278.A O no hydrogen 2.810 N/A