Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bau_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 7.A N LEU 4.A O no hydrogen 3.224 N/A ASP 8.A N VAL 23.A O no hydrogen 2.852 N/A TYR 9.A OH HIS 40.A NE2 no hydrogen 2.706 N/A LEU 10.A N VAL 21.A O no hydrogen 2.795 N/A LEU 12.A N LEU 19.A O no hydrogen 2.781 N/A THR 14.A N ALA 17.A O no hydrogen 2.954 N/A THR 14.A OG1 ALA 17.A O no hydrogen 3.112 N/A SER 15.A N GLU 86.A OE1 no hydrogen 3.261 N/A SER 15.A OG GLU 86.A OE1 no hydrogen 3.475 N/A SER 15.A OG GLU 86.A OE2 no hydrogen 2.816 N/A ARG 18.A N ARG 68.A O no hydrogen 2.880 N/A LEU 19.A N LEU 12.A O no hydrogen 2.796 N/A ARG 20.A N SER 67.A OG no hydrogen 2.901 N/A ARG 20.A NE GLU 66.A OE1 no hydrogen 2.856 N/A ARG 20.A NH1 LEU 10.A O no hydrogen 3.177 N/A ARG 20.A NH2 GLU 66.A OE1 no hydrogen 3.465 N/A ARG 20.A NH2 GLU 66.A OE2 no hydrogen 2.857 N/A VAL 21.A N LEU 10.A O no hydrogen 3.055 N/A ALA 22.A N LEU 58.A O no hydrogen 2.812 N/A VAL 23.A N ASP 8.A O no hydrogen 2.909 N/A LYS 24.A N VAL 56.A O no hydrogen 3.033 N/A LYS 24.A NZ.B PRO 5.A O no hydrogen 2.778 N/A LEU 30.A N SER 55.A O no hydrogen 2.815 N/A LEU 31.A N ALA 97.A O no hydrogen 2.874 N/A LEU 32.A N VAL 57.A O no hydrogen 2.861 N/A LEU 33.A N ILE 99.A O no hydrogen 2.893 N/A HIS 34.A ND1 GLY 35.A O no hydrogen 2.811 N/A TYR 36.A N ASP 102.A OD1 no hydrogen 2.869 N/A GLN 38.A N GLY 35.A O no hydrogen 2.916 N/A GLN 38.A NE2 GLU 273.A OE1 no hydrogen 2.752 N/A HIS 40.A N ASP 60.A OD1 no hydrogen 2.890 N/A HIS 40.A ND1 ASP 60.A OD1 no hydrogen 2.702 N/A HIS 40.A NE2 TYR 9.A OH no hydrogen 2.706 N/A LEU 41.A N THR 39.A OG1 no hydrogen 3.231 N/A ALA 42.A N THR 39.A O no hydrogen 3.050 N/A TRP 43.A N HIS 40.A O no hydrogen 3.118 N/A HIS 44.A N LEU 41.A O no hydrogen 2.977 N/A ARG 45.A NH1 ILE 183.A O no hydrogen 2.748 N/A ARG 45.A NH1 GLU 273.A O no hydrogen 2.862 N/A ARG 45.A NH2 ILE 183.A O no hydrogen 3.513 N/A ILE 46.A N TRP 43.A O no hydrogen 2.979 N/A ALA 47.A N TRP 43.A O no hydrogen 2.845 N/A ARG 49.A NH1 ARG 49.A O no hydrogen 2.940 N/A ARG 49.A NH1 ASP 53.A OD2 no hydrogen 2.842 N/A LEU 50.A N ILE 46.A O no hydrogen 3.252 N/A ALA 51.A N ALA 47.A O no hydrogen 2.941 N/A GLU 52.A N ARG 49.A O no hydrogen 3.098 N/A ASP 53.A N LEU 50.A O no hydrogen 2.994 N/A TYR 54.A N LEU 50.A O no hydrogen 2.947 N/A SER 55.A N PRO 28.A O no hydrogen 2.921 N/A SER 55.A OG GLY 27.A O no hydrogen 2.748 N/A VAL 56.A N LYS 24.A O no hydrogen 2.757 N/A VAL 57.A N LEU 30.A O no hydrogen 2.901 N/A LEU 58.A N ALA 22.A O no hydrogen 2.855 N/A ALA 59.A N LEU 32.A O no hydrogen 3.506 N/A ASP 60.A N ARG 20.A O no hydrogen 2.963 N/A LEU 61.A N HIS 34.A NE2 no hydrogen 2.997 N/A ARG 62.A NE ASP 83.A OD2 no hydrogen 2.856 N/A ARG 62.A NH2 ASP 83.A OD1 no hydrogen 2.751 N/A ARG 62.A NH2 ASP 83.A OD2 no hydrogen 3.437 N/A GLY 63.A N SER 67.A O no hydrogen 3.018 N/A TYR 64.A N LEU 61.A O no hydrogen 2.849 N/A TYR 64.A OH ASP 208.A OD2 no hydrogen 2.615 N/A GLU 66.A N ASP 60.A OD2 no hydrogen 2.846 N/A SER 67.A N TYR 64.A O no hydrogen 2.950 N/A SER 67.A OG ASP 60.A O no hydrogen 2.685 N/A ARG 68.A N ARG 18.A O no hydrogen 2.898 N/A LEU 70.A N ALA 16.A O no hydrogen 2.979 N/A SER 76.A N ASP 74.A OD1 no hydrogen 2.945 N/A SER 76.A OG ASP 74.A OD1 no hydrogen 2.674 N/A LYS 77.A N ASP 216.A OD1 no hydrogen 2.991 N/A LYS 77.A NZ ASP 208.A O no hydrogen 3.457 N/A LYS 77.A NZ ASP 208.A OD1 no hydrogen 2.742 N/A LYS 77.A NZ ASP 216.A OD2 no hydrogen 2.715 N/A ALA 79.A N SER 76.A OG no hydrogen 3.299 N/A LEU 80.A N SER 76.A O no hydrogen 3.106 N/A ALA 81.A N LYS 77.A O no hydrogen 2.751 N/A ARG 82.A N ALA 78.A O no hydrogen 2.985 N/A ASP 83.A N ALA 79.A O no hydrogen 3.027 N/A GLN 84.A N LEU 80.A O no hydrogen 3.189 N/A GLN 84.A NE2 LEU 80.A O no hydrogen 3.169 N/A LEU 85.A N ALA 81.A O no hydrogen 3.098 N/A GLU 86.A N ARG 82.A O no hydrogen 2.970 N/A THR 87.A N ASP 83.A O no hydrogen 2.823 N/A THR 87.A OG1 ASP 83.A O no hydrogen 2.713 N/A MET 88.A N GLN 84.A O no hydrogen 2.936 N/A GLY 89.A N LEU 85.A O no hydrogen 2.891 N/A GLN 90.A N GLU 86.A O no hydrogen 2.860 N/A GLN 90.A NE2 HIS 13.A O no hydrogen 2.919 N/A LEU 91.A N THR 87.A O no hydrogen 3.133 N/A GLY 92.A N GLY 89.A O no hydrogen 2.996 N/A PHE 93.A N MET 88.A O no hydrogen 2.826 N/A ARG 95.A NH1.A ALA 293.A O no hydrogen 2.916 N/A ARG 95.A NH1.A LEU 294.A O no hydrogen 3.550 N/A ARG 95.A NH1.B PRO 116.A O no hydrogen 3.240 N/A ARG 95.A NH1.B GLN 117.A O no hydrogen 2.609 N/A ARG 95.A NH2.A ALA 293.A O no hydrogen 2.803 N/A PHE 96.A N ALA 118.A O no hydrogen 2.886 N/A ALA 97.A N PRO 29.A O no hydrogen 2.968 N/A VAL 98.A N ALA 121.A O no hydrogen 2.984 N/A ILE 99.A N LEU 31.A O no hydrogen 2.859 N/A GLY 100.A N VAL 123.A O no hydrogen 2.936 N/A HIS 101.A N LEU 33.A O no hydrogen 2.914 N/A HIS 101.A NE2 HIS 269.A O no hydrogen 2.784 N/A ARG 103.A N ASP 102.A OD1 no hydrogen 2.793 N/A ARG 103.A NE ASP 208.A OD1 no hydrogen 3.014 N/A ARG 103.A NE ASP 208.A OD2 no hydrogen 3.165 N/A ARG 103.A NH2 ASP 208.A OD1 no hydrogen 2.832 N/A GLY 104.A N HIS 101.A O no hydrogen 2.990 N/A ALA 105.A N ASP 102.A O no hydrogen 2.937 N/A ARG 106.A NH1 VAL 128.A O no hydrogen 2.898 N/A ARG 106.A NH1 ASN 133.A OD1 no hydrogen 3.127 N/A ARG 106.A NH2 VAL 128.A O no hydrogen 3.364 N/A ARG 106.A NH2 ASN 133.A OD1 no hydrogen 2.780 N/A VAL 107.A N ARG 103.A O no hydrogen 3.018 N/A GLY 108.A N GLY 104.A O no hydrogen 2.941 N/A TYR 109.A N ALA 105.A O no hydrogen 2.938 N/A TYR 109.A OH ASP 220.A OD1 no hydrogen 3.356 N/A TYR 109.A OH ASP 220.A OD2 no hydrogen 2.521 N/A ARG 110.A N ARG 106.A O no hydrogen 3.275 N/A ARG 110.A NH1 ASP 114.A OD1 no hydrogen 2.782 N/A ARG 110.A NH1 ASP 223.A OD2 no hydrogen 2.692 N/A ARG 110.A NH2 ASP 220.A OD1 no hydrogen 2.837 N/A ARG 110.A NH2 ASP 223.A OD2 no hydrogen 2.869 N/A LEU 111.A N VAL 107.A O no hydrogen 2.916 N/A ALA 112.A N GLY 108.A O no hydrogen 2.962 N/A LEU 113.A N TYR 109.A O no hydrogen 2.938 N/A ASP 114.A N ARG 110.A O no hydrogen 3.008 N/A HIS 115.A N LEU 111.A O no hydrogen 2.869 N/A ALA 118.A N HIS 115.A O no hydrogen 3.025 N/A ALA 120.A N PHE 96.A O no hydrogen 2.854 N/A PHE 122.A N PRO 233.A O no hydrogen 3.003 N/A VAL 123.A N VAL 98.A O no hydrogen 2.873 N/A SER 124.A N GLN 235.A O no hydrogen 2.877 N/A SER 124.A OG VAL 127.A O no hydrogen 2.713 N/A LEU 125.A N GLY 100.A O no hydrogen 2.861 N/A ASP 126.A N LEU 237.A O no hydrogen 2.723 N/A ILE 130.A N TYR 109.A OH no hydrogen 3.011 N/A LEU 131.A N ASP 220.A OD2 no hydrogen 3.368 N/A ASN 133.A N PRO 129.A O no hydrogen 3.144 N/A TRP 134.A N ILE 130.A O no hydrogen 2.882 N/A TRP 134.A NE1 ALA 212.A O no hydrogen 2.859 N/A ALA 135.A N LEU 131.A O no hydrogen 3.274 N/A ALA 136.A N ASN 133.A O no hydrogen 3.018 N/A VAL 137.A N TRP 134.A O no hydrogen 3.248 N/A PHE 141.A N ASN 138.A OD1 no hydrogen 2.951 N/A ALA 142.A N ASN 138.A O no hydrogen 2.994 N/A LEU 143.A N LYS 139.A O no hydrogen 3.045 N/A ASN 144.A N.A VAL 140.A O no hydrogen 3.007 N/A ASN 144.A N.B VAL 140.A O no hydrogen 3.032 N/A ALA 145.A N PHE 141.A O no hydrogen 2.805 N/A TRP 148.A N ALA 145.A O no hydrogen 2.957 N/A PHE 149.A N TYR 146.A O no hydrogen 3.072 N/A LEU 150.A N TYR 146.A O no hydrogen 2.989 N/A LEU 151.A N HIS 147.A O no hydrogen 2.892 N/A GLN 153.A N LEU 150.A O no hydrogen 3.131 N/A GLN 153.A NE2 PHE 149.A O no hydrogen 2.889 N/A LEU 157.A N PRO 154.A O no hydrogen 2.998 N/A GLU 159.A N GLU 159.A OE1 no hydrogen 2.892 N/A ARG 160.A N ASP 156.A O no hydrogen 2.972 N/A ARG 160.A NE ASP 156.A OD1 no hydrogen 2.836 N/A LEU 161.A N LEU 157.A O no hydrogen 3.197 N/A ILE 162.A N PRO 158.A O no hydrogen 2.883 N/A GLY 163.A N GLU 159.A O no hydrogen 3.029 N/A HIS 168.A N ASP 165.A OD1 no hydrogen 3.414 N/A PHE 169.A N ASP 165.A O no hydrogen 3.242 N/A LEU 170.A N PRO 166.A O no hydrogen 2.914 N/A ASP 171.A N GLU 167.A O no hydrogen 2.944 N/A TYR 172.A N HIS 168.A O no hydrogen 2.943 N/A THR 173.A N PHE 169.A O no hydrogen 2.893 N/A THR 173.A OG1 PHE 169.A O no hydrogen 2.827 N/A LEU 174.A N LEU 170.A O no hydrogen 2.925 N/A ARG 175.A N ASP 171.A O no hydrogen 2.939 N/A ARG 176.A N TYR 172.A O no hydrogen 2.955 N/A ARG 176.A NH1 TYR 172.A OH no hydrogen 2.881 N/A ARG 176.A NH2 LEU 143.A O no hydrogen 3.279 N/A ARG 176.A NH2 ASN 144.A O.A no hydrogen 2.863 N/A ARG 176.A NH2 ASN 144.A O.B no hydrogen 3.102 N/A MET 177.A N THR 173.A O no hydrogen 2.887 N/A ALA 178.A N LEU 174.A O no hydrogen 2.956 N/A GLN 179.A N ARG 176.A O no hydrogen 3.069 N/A GLY 180.A N ARG 175.A O no hydrogen 2.903 N/A ARG 181.A N ALA 178.A O no hydrogen 3.112 N/A TYR 184.A OH LEU 174.A O no hydrogen 2.720 N/A GLN 187.A N HIS 185.A ND1 no hydrogen 3.009 N/A LEU 189.A N HIS 185.A O no hydrogen 2.881 N/A GLU 190.A N PRO 186.A O no hydrogen 3.200 N/A SER 191.A N GLN 187.A O no hydrogen 3.312 N/A TYR 192.A N ALA 188.A O no hydrogen 2.985 N/A TYR 192.A OH GLU 273.A OE2 no hydrogen 2.633 N/A ARG 193.A N LEU 189.A O no hydrogen 2.840 N/A ARG 193.A NE ASP 171.A OD1 no hydrogen 2.879 N/A ARG 193.A NH1 GLU 190.A OE2 no hydrogen 2.807 N/A ARG 193.A NH2 ASP 171.A OD1 no hydrogen 3.411 N/A ARG 193.A NH2 ASP 171.A OD2 no hydrogen 2.905 N/A ARG 194.A N GLU 190.A O no hydrogen 2.914 N/A ALA 195.A N SER 191.A O no hydrogen 3.085 N/A PHE 196.A N TYR 192.A O no hydrogen 3.054 N/A ARG 197.A N ARG 193.A O no hydrogen 2.940 N/A ARG 197.A NH1 GLU 167.A OE1 no hydrogen 2.812 N/A ASP 198.A N ALA 195.A O no hydrogen 2.950 N/A ALA 200.A N ASP 198.A OD1 no hydrogen 2.880 N/A VAL 201.A N ASP 198.A O no hydrogen 3.006 N/A ARG 202.A N ASP 198.A O no hydrogen 3.234 N/A ARG 202.A NH1 PHE 196.A O no hydrogen 2.848 N/A HIS 203.A N PRO 199.A O no hydrogen 2.927 N/A HIS 203.A ND1 GLU 159.A OE2 no hydrogen 2.654 N/A ALA 204.A N ALA 200.A O no hydrogen 2.937 N/A MET 205.A N VAL 201.A O no hydrogen 2.948 N/A CYS 206.A N ARG 202.A O no hydrogen 3.059 N/A CYS 206.A SG ARG 202.A O no hydrogen 3.446 N/A GLU 207.A N HIS 203.A O no hydrogen 2.929 N/A ASP 208.A N ALA 204.A O no hydrogen 2.974 N/A TYR 209.A N MET 205.A O no hydrogen 3.134 N/A ARG 210.A N CYS 206.A O no hydrogen 2.854 N/A ARG 210.A NE GLN 153.A O no hydrogen 2.910 N/A ARG 210.A NH1 GLU 159.A OE2 no hydrogen 2.825 N/A ARG 210.A NH1 GLU 207.A OE2 no hydrogen 2.825 N/A ARG 210.A NH2 GLN 153.A O no hydrogen 2.866 N/A ARG 210.A NH2 GLU 159.A OE1 no hydrogen 2.850 N/A ARG 210.A NH2 GLU 159.A OE2 no hydrogen 3.401 N/A ALA 211.A N GLU 207.A O no hydrogen 2.894 N/A ALA 212.A N ASP 208.A O no hydrogen 2.969 N/A VAL 213.A N TYR 209.A O no hydrogen 3.333 N/A GLY 214.A N ARG 210.A O no hydrogen 3.188 N/A ASP 216.A N ALA 211.A O no hydrogen 2.818 N/A ASP 218.A N GLY 214.A O no hydrogen 3.045 N/A ALA 219.A N VAL 215.A O no hydrogen 2.913 N/A ASP 220.A N ASP 216.A O no hydrogen 3.108 N/A GLN 221.A N ALA 217.A O no hydrogen 2.896 N/A GLN 221.A NE2 GLN 221.A O no hydrogen 3.370 N/A GLN 221.A NE2 ASP 225.A OD1 no hydrogen 2.941 N/A ALA 222.A N ASP 218.A O no hydrogen 2.976 N/A ASP 223.A N ALA 219.A O no hydrogen 3.142 N/A ARG 224.A N ASP 220.A O no hydrogen 2.907 N/A ARG 224.A NH1.B THR 255.A O no hydrogen 3.121 N/A ARG 224.A NH2.A ASP 132.A OD1 no hydrogen 3.003 N/A ARG 224.A NH2.B THR 255.A O no hydrogen 3.467 N/A ARG 224.A NH2.B THR 255.A OG1 no hydrogen 2.843 N/A ASP 225.A N GLN 221.A O no hydrogen 2.843 N/A ALA 226.A N ALA 222.A O no hydrogen 2.986 N/A GLY 227.A N ARG 224.A O no hydrogen 3.076 N/A ARG 228.A N ASP 223.A O no hydrogen 2.903 N/A ARG 228.A NE LEU 113.A O no hydrogen 2.887 N/A ARG 228.A NH2 LEU 113.A O no hydrogen 2.845 N/A LEU 230.A N TRP 256.A O no hydrogen 2.863 N/A GLN 231.A NE2 ARG 229.A O no hydrogen 3.017 N/A CYS 232.A SG PRO 233.A O no hydrogen 3.699 N/A VAL 234.A N GLN 259.A O no hydrogen 2.841 N/A GLN 235.A N PHE 122.A O no hydrogen 2.880 N/A GLN 235.A NE2 HIS 282.A O no hydrogen 3.102 N/A VAL 236.A N GLU 261.A O no hydrogen 2.929 N/A LEU 237.A N SER 124.A O no hydrogen 3.034 N/A TRP 238.A N ALA 263.A O no hydrogen 3.076 N/A GLN 239.A N ASP 126.A OD1 no hydrogen 2.868 N/A GLN 239.A NE2 GLN 179.A OE1 no hydrogen 2.812 N/A GLN 239.A NE2 ALA 267.A O no hydrogen 3.566 N/A GLU 240.A N ILE 265.A O no hydrogen 3.271 N/A ARG 241.A NH1 PRO 242.A O no hydrogen 3.382 N/A TYR 243.A OH GLN 239.A O no hydrogen 2.671 N/A GLN 247.A N ALA 244.A O no hydrogen 2.899 N/A GLN 247.A NE2.B ALA 245.A O no hydrogen 3.258 N/A LEU 250.A N HIS 248.A ND1 no hydrogen 3.124 N/A ILE 252.A N HIS 248.A O no hydrogen 2.915 N/A TRP 253.A N PRO 249.A O no hydrogen 2.918 N/A TRP 253.A NE1 VAL 127.A O no hydrogen 2.847 N/A LYS 254.A N LEU 250.A O no hydrogen 2.994 N/A THR 255.A N ILE 252.A O no hydrogen 2.893 N/A THR 255.A OG1 ILE 252.A O no hydrogen 2.666 N/A TRP 256.A N TRP 253.A O no hydrogen 2.870 N/A TRP 256.A NE1 ASP 132.A OD2 no hydrogen 2.827 N/A GLU 261.A N VAL 234.A O no hydrogen 2.935 N/A ALA 263.A N VAL 236.A O no hydrogen 3.163 N/A ILE 265.A N TRP 238.A O no hydrogen 2.796 N/A SER 268.A N ASP 274.A OD2 no hydrogen 2.769 N/A SER 268.A OG ASP 274.A OD2 no hydrogen 2.809 N/A HIS 269.A ND1 ASP 126.A OD2 no hydrogen 2.579 N/A HIS 269.A NE2 ASP 102.A OD2 no hydrogen 2.633 N/A MET 270.A N SER 268.A OG no hydrogen 3.030 N/A LEU 271.A N HIS 269.A O no hydrogen 2.912 N/A GLU 273.A N MET 270.A O no hydrogen 3.175 N/A ASP 274.A N MET 270.A O no hydrogen 2.840 N/A ALA 275.A N LEU 271.A O no hydrogen 3.040 N/A VAL 279.A N ALA 275.A O no hydrogen 2.951 N/A LEU 280.A N PRO 276.A O no hydrogen 2.803 N/A GLU 281.A N ASP 277.A O no hydrogen 3.020 N/A HIS 282.A N ALA 278.A O no hydrogen 3.303 N/A LEU 283.A N VAL 279.A O no hydrogen 2.852 N/A LEU 284.A N LEU 280.A O no hydrogen 2.833 N/A GLY 285.A N GLU 281.A O no hydrogen 3.156 N/A PHE 286.A N HIS 282.A O no hydrogen 2.938 N/A LEU 287.A N LEU 283.A O no hydrogen 2.908 N/A ALA 288.A N LEU 284.A O no hydrogen 2.999 N/A SER 289.A N GLY 285.A O no hydrogen 2.918 N/A SER 289.A OG.A GLY 285.A O no hydrogen 3.313 N/A SER 289.A OG.A PHE 286.A O no hydrogen 2.969 N/A SER 289.A OG.B GLY 285.A O no hydrogen 2.842 N/A HIS 290.A N PHE 286.A O no hydrogen 3.066 N/A HIS 290.A NE2 GLU 261.A OE1 no hydrogen 2.770 N/A ARG 291.A N ALA 288.A O no hydrogen 3.406 N/A ARG 291.A NH1 ALA 288.A O no hydrogen 2.523 N/A LEU 294.A N HIS 290.A O no hydrogen 3.397 N/A LEU 294.A N ARG 291.A O no hydrogen 3.204 N/A ARG 295.A N GLU 292.A O no hydrogen 3.019 N/A ARG 295.A NE GLU 292.A OE1 no hydrogen 3.050 N/A