Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4r2k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH GLU 179.A OE1 no hydrogen 2.558 N/A GLN 5.A N ASP 110.A OD2 no hydrogen 2.825 N/A GLN 5.A NE2 MET 3.A O no hydrogen 2.820 N/A GLN 5.A NE2 ILE 31.A O no hydrogen 3.001 N/A ASN 6.A N ASP 110.A OD1 no hydrogen 2.883 N/A MET 7.A N LYS 34.A O no hydrogen 2.839 N/A LEU 8.A N LEU 111.A O no hydrogen 2.791 N/A VAL 9.A N LYS 36.A O no hydrogen 2.845 N/A VAL 10.A N LEU 113.A O no hydrogen 2.896 N/A ILE 11.A N PHE 38.A O no hydrogen 2.934 N/A ASP 12.A N GLN 18.A OE1 no hydrogen 2.856 N/A ASN 14.A N ASP 12.A OD1 no hydrogen 2.941 N/A GLN 15.A NE2 ASP 17.A O no hydrogen 2.908 N/A GLN 18.A NE2 ASP 12.A O no hydrogen 2.846 N/A GLN 18.A NE2 ASP 16.A O no hydrogen 3.484 N/A ARG 22.A N GLN 18.A O no hydrogen 2.926 N/A ARG 22.A NH2 ASP 17.A OD2 no hydrogen 2.869 N/A ARG 23.A N PRO 19.A O no hydrogen 2.918 N/A ARG 23.A NH2 ASP 295.A OD2 no hydrogen 2.710 N/A ALA 24.A N ALA 20.A O no hydrogen 3.077 N/A VAL 25.A N LEU 21.A O no hydrogen 2.914 N/A TYR 26.A N ARG 22.A O no hydrogen 3.110 N/A LEU 27.A N ARG 23.A O no hydrogen 2.878 N/A HIS 28.A N ALA 24.A O no hydrogen 2.864 N/A HIS 28.A ND1 GLY 33.A O no hydrogen 2.723 N/A GLN 29.A N VAL 25.A O no hydrogen 2.943 N/A ARG 30.A N TYR 26.A O no hydrogen 3.035 N/A ARG 30.A NE GLN 186.A O no hydrogen 2.682 N/A ARG 30.A NH2 GLN 186.A O no hydrogen 3.365 N/A ILE 31.A N LEU 27.A O no hydrogen 2.806 N/A GLY 32.A N HIS 28.A O no hydrogen 2.817 N/A LYS 34.A N GLN 5.A O no hydrogen 2.971 N/A ILE 35.A N PRO 85.A O no hydrogen 3.062 N/A LYS 36.A N MET 7.A O no hydrogen 2.855 N/A LYS 36.A NZ GLU 103.A OE2 no hydrogen 2.734 N/A ALA 37.A N GLU 87.A O no hydrogen 2.775 N/A PHE 38.A N VAL 9.A O no hydrogen 2.751 N/A LEU 39.A N LYS 89.A O no hydrogen 2.946 N/A ILE 41.A N VAL 91.A O no hydrogen 2.721 N/A PHE 44.A N TYR 42.A O no hydrogen 2.858 N/A SER 45.A N ASP 43.A OD1 no hydrogen 2.911 N/A SER 45.A OG ASP 43.A OD1 no hydrogen 2.558 N/A MET 48.A N PHE 44.A O no hydrogen 3.058 N/A THR 49.A N TYR 46.A O no hydrogen 3.252 N/A THR 49.A OG1 SER 45.A O no hydrogen 2.699 N/A THR 49.A OG1 TYR 46.A O no hydrogen 3.269 N/A THR 50.A OG1 GLU 47.A O no hydrogen 3.156 N/A LEU 52.A N THR 49.A O no hydrogen 3.086 N/A SER 53.A N GLU 56.A OE1 no hydrogen 2.781 N/A GLU 56.A N SER 53.A OG no hydrogen 3.057 N/A ARG 57.A N SER 53.A O no hydrogen 2.947 N/A ARG 57.A NE THR 49.A OG1 no hydrogen 2.823 N/A ARG 57.A NH2 THR 49.A O no hydrogen 2.884 N/A ARG 57.A NH2 LEU 52.A O no hydrogen 3.152 N/A THR 58.A N PRO 54.A O no hydrogen 2.929 N/A THR 58.A OG1 PRO 54.A O no hydrogen 3.082 N/A ALA 59.A N ASP 55.A O no hydrogen 3.049 N/A MET 60.A N GLU 56.A O no hydrogen 2.890 N/A ARG 61.A N ARG 57.A O no hydrogen 2.817 N/A ARG 61.A NH1 ASP 43.A OD2 no hydrogen 3.100 N/A ARG 61.A NH1 SER 45.A OG no hydrogen 2.896 N/A GLN 62.A N THR 58.A O no hydrogen 2.957 N/A GLY 63.A N ALA 59.A O no hydrogen 2.781 N/A VAL 64.A N MET 60.A O no hydrogen 3.018 N/A ILE 65.A N ARG 61.A O no hydrogen 3.118 N/A SER 66.A N GLN 62.A O no hydrogen 3.028 N/A SER 66.A OG.A GLN 62.A O no hydrogen 3.292 N/A GLN 67.A N GLY 63.A O no hydrogen 2.892 N/A ARG 68.A N VAL 64.A O no hydrogen 2.870 N/A ARG 68.A NH1 PRO 13.A O no hydrogen 2.976 N/A THR 69.A N ILE 65.A O no hydrogen 2.896 N/A THR 69.A OG1 ILE 65.A O no hydrogen 2.704 N/A ALA 70.A N SER 66.A O no hydrogen 3.025 N/A TRP 71.A N GLN 67.A O no hydrogen 2.900 N/A TRP 71.A NE1 ASP 16.A OD1 no hydrogen 2.804 N/A ILE 72.A N ARG 68.A O no hydrogen 3.000 N/A ARG 73.A N THR 69.A O no hydrogen 3.065 N/A GLU 74.A N ALA 70.A O no hydrogen 2.839 N/A GLN 75.A N TRP 71.A O no hydrogen 3.081 N/A GLN 75.A NE2 TRP 71.A O no hydrogen 3.031 N/A ALA 76.A N ILE 72.A O no hydrogen 2.757 N/A LYS 77.A N GLU 74.A O no hydrogen 3.326 N/A LYS 77.A NZ GLU 74.A OE1 no hydrogen 3.122 N/A LEU 80.A N ALA 76.A O no hydrogen 2.898 N/A GLU 81.A N LYS 77.A O no hydrogen 2.879 N/A ALA 82.A N TYR 78.A O no hydrogen 2.922 N/A GLY 83.A N LEU 80.A O no hydrogen 3.030 N/A VAL 84.A N TYR 79.A O no hydrogen 3.092 N/A GLU 87.A N ILE 35.A O no hydrogen 2.885 N/A LYS 89.A N ALA 37.A O no hydrogen 2.921 N/A LYS 89.A NZ GLU 103.A OE2 no hydrogen 3.072 N/A VAL 91.A N LEU 39.A O no hydrogen 2.927 N/A TRP 92.A NE1 ARG 61.A O no hydrogen 3.229 N/A HIS 93.A N ILE 41.A O no hydrogen 2.958 N/A ARG 95.A N HIS 93.A ND1 no hydrogen 2.975 N/A GLU 98.A N ARG 95.A O no hydrogen 2.864 N/A ALA 99.A N ARG 95.A O no hydrogen 3.110 N/A ILE 100.A N PRO 96.A O no hydrogen 2.982 N/A ILE 101.A N PHE 97.A O no hydrogen 3.134 N/A GLN 102.A N GLU 98.A O no hydrogen 2.865 N/A GLN 102.A NE2 GLU 309.A O no hydrogen 3.070 N/A GLU 103.A N ALA 99.A O no hydrogen 2.918 N/A VAL 104.A N ILE 100.A O no hydrogen 2.859 N/A ILE 105.A N ILE 101.A O no hydrogen 2.990 N/A ALA 106.A N GLN 102.A O no hydrogen 2.882 N/A GLY 107.A N GLU 103.A O no hydrogen 2.861 N/A HIS 109.A N VAL 104.A O no hydrogen 3.070 N/A HIS 109.A ND1 GLU 103.A O no hydrogen 3.267 N/A ASP 110.A N ASN 6.A O no hydrogen 3.037 N/A VAL 112.A N PRO 141.A O no hydrogen 2.992 N/A LEU 113.A N LEU 8.A O no hydrogen 2.921 N/A LYS 114.A N TRP 143.A O no hydrogen 3.128 N/A LYS 114.A NZ ASP 131.A OD1 no hydrogen 2.795 N/A ALA 116.A N VAL 145.A O no hydrogen 2.985 N/A HIS 117.A ND1.A ASP 147.A OD2 no hydrogen 2.780 N/A GLN 118.A N ASP 147.A OD1 no hydrogen 2.901 N/A LEU 122.A N ASP 120.A OD1 no hydrogen 2.817 N/A GLU 123.A N ASP 120.A O no hydrogen 3.034 N/A VAL 125.A N LEU 292.A O no hydrogen 2.874 N/A ILE 126.A N HIS 117.A O no hydrogen 2.832 N/A THR 128.A N ASP 131.A OD2 no hydrogen 2.874 N/A ASP 131.A N THR 128.A OG1 no hydrogen 3.096 N/A TRP 132.A N THR 128.A O no hydrogen 2.941 N/A HIS 133.A N PRO 129.A O no hydrogen 2.919 N/A LEU 134.A N THR 130.A O no hydrogen 3.015 N/A LEU 135.A N ASP 131.A O no hydrogen 2.885 N/A ARG 136.A N TRP 132.A O no hydrogen 2.888 N/A LYS 137.A N HIS 133.A O no hydrogen 2.871 N/A LYS 137.A N LEU 134.A O no hydrogen 3.226 N/A LYS 137.A NZ HIS 133.A ND1 no hydrogen 3.119 N/A CYS 138.A N LEU 134.A O no hydrogen 2.834 N/A CYS 138.A SG SER 140.A O no hydrogen 3.639 N/A CYS 138.A SG SER 140.A OG no hydrogen 3.309 N/A SER 140.A OG PRO 141.A O no hydrogen 3.084 N/A VAL 142.A N VAL 298.A O no hydrogen 2.999 N/A TRP 143.A N VAL 112.A O no hydrogen 2.759 N/A TRP 143.A NE1 ASP 295.A OD2 no hydrogen 2.944 N/A MET 144.A N LEU 296.A O no hydrogen 2.827 N/A VAL 145.A N LYS 114.A O no hydrogen 2.767 N/A LYS 146.A N ASP 295.A OD1 no hydrogen 2.889 N/A LYS 146.A NZ ARG 293.A O no hydrogen 2.794 N/A ASP 147.A N ALA 116.A O no hydrogen 3.076 N/A TRP 150.A NE1 ASP 295.A OD2 no hydrogen 2.990 N/A GLY 154.A N PRO 151.A O no hydrogen 2.910 N/A LYS 155.A N GLN 262.A O no hydrogen 3.091 N/A LYS 155.A NZ GLY 153.A O no hydrogen 3.293 N/A ALA 156.A N GLU 191.A O no hydrogen 3.070 N/A LEU 157.A N ILE 265.A O no hydrogen 2.942 N/A VAL 158.A N HIS 193.A O no hydrogen 2.796 N/A ALA 159.A N VAL 267.A O no hydrogen 2.970 N/A VAL 160.A N VAL 195.A O no hydrogen 2.984 N/A ASN 161.A N ASN 173.A OD1 no hydrogen 3.241 N/A ALA 163.A N ASN 161.A OD1 no hydrogen 3.199 N/A GLU 166.A N SER 164.A OG no hydrogen 3.209 N/A TYR 168.A N GLU 165.A O no hydrogen 2.808 N/A HIS 169.A NE2 GLU 174.A OE1 no hydrogen 2.868 N/A ASN 173.A N ASN 170.A OD1 no hydrogen 2.986 N/A ASN 173.A ND2 ASN 161.A O no hydrogen 2.744 N/A LYS 175.A N ALA 171.A O no hydrogen 3.048 N/A LYS 175.A NZ LYS 300.A O no hydrogen 2.781 N/A LYS 175.A NZ ASP 302.A OD1 no hydrogen 2.675 N/A LEU 176.A N LEU 172.A O no hydrogen 2.968 N/A VAL 177.A N ASN 173.A O no hydrogen 3.091 N/A LYS 178.A N GLU 174.A O no hydrogen 2.930 N/A GLU 179.A N LYS 175.A O no hydrogen 2.846 N/A THR 180.A N LEU 176.A O no hydrogen 2.887 N/A THR 180.A OG1 LEU 176.A O no hydrogen 2.735 N/A LEU 181.A N VAL 177.A O no hydrogen 2.768 N/A GLN 182.A N LYS 178.A O no hydrogen 3.137 N/A LEU 183.A N GLU 179.A O no hydrogen 3.071 N/A ALA 184.A N THR 180.A O no hydrogen 2.906 N/A GLU 185.A N LEU 181.A O no hydrogen 3.137 N/A VAL 187.A N LEU 183.A O no hydrogen 3.005 N/A HIS 189.A N GLU 185.A O no hydrogen 3.187 N/A THR 190.A N ALA 184.A O no hydrogen 2.896 N/A THR 190.A N VAL 187.A O no hydrogen 3.163 N/A THR 190.A OG1 VAL 187.A O no hydrogen 2.678 N/A HIS 193.A N ALA 156.A O no hydrogen 2.729 N/A HIS 193.A ND1 HIS 244.A NE2 no hydrogen 2.887 N/A HIS 193.A NE2 GLU 191.A OE1 no hydrogen 2.635 N/A LEU 194.A N VAL 242.A O no hydrogen 2.869 N/A VAL 195.A N VAL 158.A O no hydrogen 2.822 N/A GLY 196.A N HIS 244.A O no hydrogen 2.900 N/A TYR 198.A N GLU 246.A O no hydrogen 2.978 N/A ILE 205.A N PRO 202.A O no hydrogen 2.908 N/A ALA 206.A N PRO 202.A O no hydrogen 2.909 N/A ILE 207.A N ILE 203.A O no hydrogen 2.795 N/A GLU 208.A N ILE 205.A O no hydrogen 3.283 N/A LEU 209.A N ALA 206.A O no hydrogen 2.884 N/A PHE 212.A N LEU 209.A O no hydrogen 3.148 N/A SER 215.A N ASP 213.A OD1 no hydrogen 3.002 N/A SER 215.A OG ASP 213.A OD1 no hydrogen 3.435 N/A VAL 216.A N ASP 213.A O no hydrogen 2.957 N/A VAL 216.A N ASP 213.A OD1 no hydrogen 3.440 N/A TYR 217.A N ASP 213.A O no hydrogen 3.085 N/A ASN 218.A N PRO 214.A O no hydrogen 2.876 N/A ASP 219.A N SER 215.A O no hydrogen 3.009 N/A ALA 220.A N VAL 216.A O no hydrogen 2.960 N/A ILE 221.A N TYR 217.A O no hydrogen 2.981 N/A ARG 222.A N ASN 218.A O no hydrogen 2.834 N/A ARG 222.A NH1 TYR 198.A OH no hydrogen 3.039 N/A ARG 222.A NH1 VAL 245.A O no hydrogen 3.067 N/A ARG 222.A NH2 VAL 245.A O no hydrogen 3.357 N/A GLY 223.A N ASP 219.A O no hydrogen 2.855 N/A GLN 224.A N ALA 220.A O no hydrogen 2.964 N/A HIS 225.A N ILE 221.A O no hydrogen 2.849 N/A LEU 226.A N ARG 222.A O no hydrogen 2.797 N/A LEU 227.A N GLY 223.A O no hydrogen 2.950 N/A ALA 228.A N GLN 224.A O no hydrogen 3.004 N/A MET 229.A N HIS 225.A O no hydrogen 2.838 N/A LYS 230.A N LEU 226.A O no hydrogen 2.891 N/A ALA 231.A N LEU 227.A O no hydrogen 2.932 N/A LEU 232.A N ALA 228.A O no hydrogen 3.053 N/A ARG 233.A N MET 229.A O no hydrogen 2.853 N/A ARG 233.A NH2 ILE 238.A O no hydrogen 3.040 N/A GLN 234.A N LYS 230.A O no hydrogen 3.022 N/A LYS 235.A N ALA 231.A O no hydrogen 3.159 N/A PHE 236.A N ARG 233.A O no hydrogen 3.045 N/A SER 237.A N GLN 234.A O no hydrogen 3.295 N/A ILE 238.A N ARG 233.A O no hydrogen 2.864 N/A LYS 241.A N ASP 239.A OD1.B no hydrogen 2.984 N/A VAL 242.A N ASP 239.A O no hydrogen 3.225 N/A THR 243.A N GLU 240.A O no hydrogen 3.011 N/A THR 243.A OG1 GLU 240.A O no hydrogen 2.702 N/A HIS 244.A NE2 HIS 193.A ND1 no hydrogen 2.887 N/A GLU 246.A N GLY 196.A O no hydrogen 3.148 N/A GLY 248.A N TYR 198.A O no hydrogen 2.863 N/A LEU 249.A N GLU 252.A OE1 no hydrogen 2.819 N/A GLU 251.A N GLU 251.A OE2 no hydrogen 2.702 N/A GLU 252.A N LEU 249.A O no hydrogen 2.894 N/A VAL 253.A N PRO 250.A O no hydrogen 3.023 N/A ILE 254.A N PRO 250.A O no hydrogen 2.874 N/A LEU 257.A N VAL 253.A O no hydrogen 3.196 N/A ALA 258.A N ILE 254.A O no hydrogen 2.829 N/A GLU 259.A N PRO 255.A O no hydrogen 3.095 N/A HIS 260.A N ASP 256.A O no hydrogen 2.864 N/A LEU 261.A N LEU 257.A O no hydrogen 2.785 N/A GLN 262.A N GLU 259.A O no hydrogen 3.448 N/A ALA 263.A N ALA 258.A O no hydrogen 2.851 N/A GLY 264.A N LYS 155.A O no hydrogen 2.683 N/A ILE 265.A N LYS 155.A O no hydrogen 3.289 N/A VAL 266.A N ASP 295.A O no hydrogen 2.967 N/A VAL 267.A N LEU 157.A O no hydrogen 2.734 N/A LEU 268.A N LEU 297.A O no hydrogen 2.829 N/A THR 270.A N ILE 299.A O no hydrogen 3.286 N/A GLY 275.A N GLY 272.A O no hydrogen 2.809 N/A ALA 278.A N GLY 275.A O no hydrogen 3.263 N/A LEU 281.A N SER 277.A O no hydrogen 2.908 N/A GLY 282.A N ALA 278.A O no hydrogen 2.925 N/A ASN 283.A N ALA 279.A O no hydrogen 3.030 N/A ASN 283.A ND2 ALA 279.A O no hydrogen 2.974 N/A THR 284.A N PHE 280.A O no hydrogen 2.824 N/A THR 284.A OG1 GLU 251.A OE2 no hydrogen 2.728 N/A ALA 285.A N LEU 281.A O no hydrogen 3.102 N/A GLU 286.A N GLY 282.A O no hydrogen 3.079 N/A GLN 287.A N ASN 283.A O no hydrogen 3.003 N/A VAL 288.A N THR 284.A O no hydrogen 3.013 N/A ILE 289.A N ALA 285.A O no hydrogen 2.831 N/A ASP 290.A N GLU 286.A O no hydrogen 3.026 N/A HIS 291.A N VAL 288.A O no hydrogen 2.851 N/A LEU 292.A N ILE 289.A O no hydrogen 3.114 N/A ARG 293.A NE LEU 122.A O no hydrogen 3.399 N/A ARG 293.A NH1 HIS 291.A O no hydrogen 2.930 N/A ARG 293.A NH2 LEU 122.A O no hydrogen 2.810 N/A CYS 294.A SG ASP 295.A O no hydrogen 3.442 N/A LEU 296.A N MET 144.A O no hydrogen 3.182 N/A LEU 297.A N VAL 266.A O no hydrogen 2.940 N/A VAL 298.A N VAL 142.A O no hydrogen 2.953 N/A ILE 299.A N LEU 268.A O no hydrogen 3.000 N/A LYS 300.A NZ LEU 135.A O no hydrogen 2.709 N/A LYS 300.A NZ CYS 138.A O no hydrogen 2.819 N/A TYR 304.A N PRO 301.A O no hydrogen 2.990 N/A THR 306.A OG1 LYS 137.A O no hydrogen 2.643 N/A VAL 308.A N THR 306.A OG1 no hydrogen 3.222 N/A