Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5k3d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N ASP 4.A OD1 no hydrogen 2.962 N/A PHE 9.A N PHE 6.A O no hydrogen 2.945 N/A GLY 10.A N VAL 25.A O no hydrogen 2.777 N/A GLU 12.A N ALA 23.A O no hydrogen 2.889 N/A ILE 14.A N ILE 21.A O no hydrogen 2.841 N/A THR 16.A OG1 GLY 19.A O no hydrogen 2.647 N/A SER 17.A N GLU 92.A OE1 no hydrogen 2.883 N/A SER 17.A OG GLU 92.A OE1 no hydrogen 3.158 N/A SER 17.A OG GLU 92.A OE2 no hydrogen 2.630 N/A SER 18.A N THR 16.A OG1 no hydrogen 3.028 N/A GLY 19.A N THR 16.A O no hydrogen 3.073 N/A ARG 20.A N ASP 70.A OD2 no hydrogen 2.910 N/A ARG 20.A NE ASP 70.A OD1 no hydrogen 3.379 N/A ARG 20.A NE ASP 70.A OD2 no hydrogen 3.140 N/A ARG 20.A NH1 ASP 70.A OD1 no hydrogen 3.098 N/A ILE 21.A N ILE 14.A O no hydrogen 2.865 N/A PHE 22.A N SER 69.A OG no hydrogen 2.946 N/A ALA 23.A N GLU 12.A O no hydrogen 2.955 N/A ARG 24.A N VAL 60.A O no hydrogen 2.943 N/A ARG 24.A NE GLY 10.A O no hydrogen 2.937 N/A ARG 24.A NH1 ASP 4.A OD1 no hydrogen 2.912 N/A ARG 24.A NH1 ASP 4.A OD2 no hydrogen 3.339 N/A ARG 24.A NH1 PHE 9.A O no hydrogen 2.937 N/A ARG 24.A NH2 ASP 4.A OD1 no hydrogen 2.868 N/A VAL 25.A N GLY 10.A O no hydrogen 3.046 N/A GLY 26.A N VAL 58.A O no hydrogen 2.997 N/A LEU 32.A N LYS 57.A O no hydrogen 2.825 N/A LEU 33.A N ALA 103.A O no hydrogen 2.936 N/A LEU 34.A N ILE 59.A O no hydrogen 2.810 N/A LEU 35.A N ALA 105.A O no hydrogen 2.956 N/A HIS 36.A ND1 GLY 37.A O no hydrogen 2.940 N/A PHE 38.A N ASP 108.A OD2 no hydrogen 2.851 N/A GLN 40.A N GLY 37.A O no hydrogen 2.945 N/A GLN 40.A NE2 GLU 274.A OE2 no hydrogen 2.793 N/A HIS 42.A N ASP 62.A OD1 no hydrogen 2.865 N/A HIS 42.A ND1 ASP 62.A OD1 no hydrogen 2.832 N/A VAL 43.A N THR 41.A OG1 no hydrogen 3.335 N/A MET 44.A N THR 41.A O no hydrogen 3.190 N/A TRP 45.A N HIS 42.A O no hydrogen 3.272 N/A HIS 46.A N VAL 43.A O no hydrogen 2.939 N/A VAL 48.A N TRP 45.A O no hydrogen 3.134 N/A ALA 49.A N TRP 45.A O no hydrogen 2.857 N/A LEU 52.A N VAL 48.A O no hydrogen 3.071 N/A ALA 53.A N ALA 49.A O no hydrogen 2.831 N/A GLU 54.A N LYS 51.A O no hydrogen 3.133 N/A ARG 55.A N LEU 52.A O no hydrogen 3.011 N/A PHE 56.A N LEU 52.A O no hydrogen 2.948 N/A LYS 57.A N PRO 30.A O no hydrogen 2.922 N/A VAL 58.A N GLY 26.A O no hydrogen 2.841 N/A ILE 59.A N LEU 32.A O no hydrogen 2.828 N/A VAL 60.A N ARG 24.A O no hydrogen 2.791 N/A ALA 61.A N LEU 34.A O no hydrogen 3.253 N/A ASP 62.A N PHE 22.A O no hydrogen 2.865 N/A LEU 63.A N HIS 36.A NE2 no hydrogen 3.016 N/A GLY 65.A N ASP 70.A O no hydrogen 2.953 N/A TYR 66.A N LEU 63.A O no hydrogen 2.863 N/A TYR 66.A OH ASP 216.A OD2 no hydrogen 2.691 N/A TRP 68.A N ASP 62.A OD2 no hydrogen 2.832 N/A SER 69.A N TYR 66.A O no hydrogen 2.898 N/A SER 69.A OG ASP 62.A O no hydrogen 2.780 N/A ASP 70.A N ARG 20.A O no hydrogen 2.843 N/A SER 74.A OG GLU 215.A OE1 no hydrogen 2.591 N/A GLN 77.A N ASP 75.A OD1 no hydrogen 2.861 N/A HIS 78.A N ASP 75.A O no hydrogen 2.914 N/A HIS 78.A ND1 GLU 215.A OE1 no hydrogen 2.803 N/A THR 79.A N ASP 75.A OD1 no hydrogen 3.031 N/A THR 79.A OG1 ASP 75.A OD1 no hydrogen 2.945 N/A THR 79.A OG1 ASP 75.A OD2 no hydrogen 2.827 N/A TYR 81.A N HIS 78.A O no hydrogen 2.970 N/A TYR 81.A OH PRO 72.A O no hydrogen 2.678 N/A THR 82.A N THR 79.A O no hydrogen 3.074 N/A THR 82.A OG1 THR 79.A O no hydrogen 2.673 N/A LYS 83.A N ASP 224.A OD1 no hydrogen 2.901 N/A LYS 83.A NZ TYR 81.A O no hydrogen 2.951 N/A LYS 83.A NZ ASP 216.A O no hydrogen 3.529 N/A LYS 83.A NZ ASP 216.A OD1 no hydrogen 2.820 N/A LYS 83.A NZ ASP 224.A OD2 no hydrogen 2.784 N/A ARG 84.A NE ASP 120.A OD2 no hydrogen 2.839 N/A ARG 84.A NH1 ASP 120.A OD1 no hydrogen 3.066 N/A ALA 85.A N THR 82.A OG1 no hydrogen 3.207 N/A MET 86.A N THR 82.A O no hydrogen 2.929 N/A ALA 87.A N LYS 83.A O no hydrogen 2.910 N/A LYS 88.A N ARG 84.A O no hydrogen 3.070 N/A GLN 89.A N ALA 85.A O no hydrogen 2.933 N/A GLN 89.A NE2 GLY 19.A O no hydrogen 3.185 N/A LEU 90.A N MET 86.A O no hydrogen 2.930 N/A ILE 91.A N ALA 87.A O no hydrogen 2.865 N/A GLU 92.A N LYS 88.A O no hydrogen 3.019 N/A ALA 93.A N GLN 89.A O no hydrogen 2.944 N/A MET 94.A N LEU 90.A O no hydrogen 2.867 N/A GLU 95.A N ILE 91.A O no hydrogen 3.003 N/A GLN 96.A N GLU 92.A O no hydrogen 3.118 N/A LEU 97.A N MET 94.A O no hydrogen 3.021 N/A GLY 98.A N GLU 95.A O no hydrogen 2.919 N/A HIS 99.A N MET 94.A O no hydrogen 2.855 N/A HIS 101.A ND1 GLY 123.A O no hydrogen 2.851 N/A PHE 102.A N ARG 124.A O no hydrogen 2.867 N/A ALA 103.A N PRO 31.A O no hydrogen 2.987 N/A LEU 104.A N LYS 127.A O no hydrogen 3.100 N/A ALA 105.A N LEU 33.A O no hydrogen 2.975 N/A GLY 106.A N ALA 129.A O no hydrogen 2.930 N/A HIS 107.A N LEU 35.A O no hydrogen 2.885 N/A HIS 107.A NE2 HIS 270.A O no hydrogen 2.855 N/A ASP 108.A N LEU 131.A O no hydrogen 3.363 N/A ARG 109.A NE ASP 216.A OD1 no hydrogen 2.879 N/A ARG 109.A NE ASP 216.A OD2 no hydrogen 3.454 N/A ARG 109.A NH2 ASP 216.A O no hydrogen 3.240 N/A ARG 109.A NH2 ASP 216.A OD1 no hydrogen 2.887 N/A ARG 112.A N ASP 108.A O no hydrogen 3.123 N/A ARG 112.A NH2 LEU 134.A O no hydrogen 2.776 N/A ARG 112.A NH2 THR 136.A OG1 no hydrogen 3.026 N/A VAL 113.A N ARG 109.A O no hydrogen 2.943 N/A SER 114.A N GLY 110.A O no hydrogen 2.963 N/A SER 114.A OG GLY 110.A O no hydrogen 2.752 N/A TYR 115.A N ALA 111.A O no hydrogen 3.005 N/A TYR 115.A OH ASP 228.A OD1 no hydrogen 3.318 N/A TYR 115.A OH ASP 228.A OD2 no hydrogen 2.463 N/A ARG 116.A N ARG 112.A O no hydrogen 3.145 N/A ARG 116.A NH1 ASP 120.A OD1 no hydrogen 2.910 N/A ARG 116.A NH1 ASP 231.A OD2 no hydrogen 2.825 N/A ARG 116.A NH2 ASP 228.A OD1 no hydrogen 2.875 N/A ARG 116.A NH2 ASP 231.A OD2 no hydrogen 2.839 N/A LEU 117.A N VAL 113.A O no hydrogen 2.858 N/A ALA 118.A N SER 114.A O no hydrogen 3.014 N/A LEU 119.A N TYR 115.A O no hydrogen 2.955 N/A ASP 120.A N ARG 116.A O no hydrogen 2.903 N/A SER 121.A N LEU 117.A O no hydrogen 2.761 N/A ARG 124.A N SER 121.A O no hydrogen 3.035 N/A ARG 124.A NH1 GLU 95.A OE2 no hydrogen 3.071 N/A ARG 124.A NH2 GLU 95.A OE2 no hydrogen 2.732 N/A LEU 125.A N PRO 122.A O no hydrogen 3.139 N/A SER 126.A N PHE 102.A O no hydrogen 3.000 N/A LYS 127.A NZ PHE 287.A O no hydrogen 2.690 N/A LEU 128.A N PRO 241.A O no hydrogen 2.957 N/A ALA 129.A N LEU 104.A O no hydrogen 2.787 N/A VAL 130.A N LEU 243.A O no hydrogen 2.910 N/A LEU 131.A N GLY 106.A O no hydrogen 2.879 N/A ASP 132.A N LEU 245.A O no hydrogen 2.711 N/A THR 136.A N TYR 115.A OH no hydrogen 2.844 N/A TYR 137.A N ASP 228.A OD2 no hydrogen 3.122 N/A GLU 138.A N PRO 135.A O no hydrogen 2.869 N/A TYR 139.A N.A PRO 135.A O no hydrogen 3.289 N/A TYR 139.A N.B PRO 135.A O no hydrogen 3.350 N/A TYR 139.A OH.B ILE 151.A O no hydrogen 2.524 N/A TRP 140.A N THR 136.A O no hydrogen 3.225 N/A TRP 140.A NE1 GLY 220.A O no hydrogen 2.895 N/A GLN 141.A N TYR 137.A O no hydrogen 2.865 N/A ARG 142.A N GLU 138.A O no hydrogen 3.059 N/A ARG 142.A NH1 TYR 147.A OH.C no hydrogen 3.279 N/A MET 143.A N.A TRP 140.A O no hydrogen 3.021 N/A MET 143.A N.B TRP 140.A O no hydrogen 3.008 N/A TYR 147.A N.A ASN 144.A OD1 no hydrogen 3.022 N/A TYR 147.A N.C ASN 144.A OD1 no hydrogen 3.026 N/A ALA 148.A N ASN 144.A O no hydrogen 2.799 N/A LEU 149.A N ARG 145.A O no hydrogen 3.108 N/A LYS 150.A N ALA 146.A O no hydrogen 2.986 N/A ILE 151.A N TYR 147.A O.A no hydrogen 2.912 N/A ILE 151.A N TYR 147.A O.C no hydrogen 2.866 N/A TRP 154.A N ILE 151.A O no hydrogen 3.347 N/A SER 155.A N TYR 152.A O no hydrogen 3.105 N/A PHE 156.A N TYR 152.A O no hydrogen 3.004 N/A LEU 157.A N HIS 153.A O no hydrogen 2.922 N/A GLN 159.A N PHE 156.A O no hydrogen 3.147 N/A GLN 159.A NE2 SER 155.A O no hydrogen 2.860 N/A LEU 163.A N PRO 160.A O no hydrogen 3.166 N/A GLU 165.A N GLU 165.A OE2 no hydrogen 2.813 N/A ASN 166.A N PRO 162.A O no hydrogen 2.829 N/A LEU 167.A N LEU 163.A O no hydrogen 3.165 N/A LEU 168.A N PRO 164.A O no hydrogen 2.903 N/A GLY 169.A N.A ASN 166.A O no hydrogen 3.449 N/A GLY 169.A N.B ASN 166.A O no hydrogen 3.423 N/A PHE 174.A N ASP 171.A O no hydrogen 3.113 N/A PHE 174.A N ASP 171.A OD1 no hydrogen 3.422 N/A TYR 175.A N ASP 171.A O no hydrogen 3.479 N/A TYR 175.A OH TYR 152.A OH no hydrogen 2.725 N/A VAL 176.A N PRO 172.A O no hydrogen 3.039 N/A LYS 177.A N ASP 173.A O no hydrogen 3.023 N/A ALA 178.A N PHE 174.A O no hydrogen 2.918 N/A LYS 179.A N TYR 175.A O no hydrogen 2.941 N/A LYS 179.A NZ TYR 152.A OH no hydrogen 2.464 N/A LYS 179.A NZ TYR 175.A OH no hydrogen 3.272 N/A LEU 180.A N VAL 176.A O no hydrogen 3.049 N/A ALA 181.A N LYS 177.A O no hydrogen 3.015 N/A SER 182.A N.A ALA 178.A O no hydrogen 2.832 N/A SER 182.A N.B ALA 178.A O no hydrogen 2.850 N/A SER 182.A OG.A LYS 179.A O no hydrogen 2.676 N/A SER 182.A OG.B ALA 178.A O no hydrogen 2.705 N/A TRP 183.A N LYS 179.A O no hydrogen 3.365 N/A THR 184.A N ALA 181.A O no hydrogen 3.236 N/A THR 184.A OG1 ALA 181.A O no hydrogen 2.859 N/A THR 184.A OG1 ASP 188.A O no hydrogen 3.166 N/A ARG 185.A N GLU 275.A OE1 no hydrogen 3.070 N/A GLY 187.A N THR 184.A OG1 no hydrogen 3.005 N/A SER 190.A N ASP 188.A OD1 no hydrogen 3.008 N/A SER 190.A OG ASP 188.A OD1 no hydrogen 2.655 N/A PHE 192.A N LEU 189.A O no hydrogen 3.126 N/A ARG 195.A N ASP 193.A OD1 no hydrogen 2.896 N/A ARG 195.A NE ASP 193.A OD1 no hydrogen 3.037 N/A ARG 195.A NH1 ASP 193.A OD2 no hydrogen 2.924 N/A ALA 196.A N ASP 193.A O no hydrogen 2.830 N/A VAL 197.A N ASP 193.A O no hydrogen 3.042 N/A GLU 198.A N PRO 194.A O no hydrogen 3.062 N/A HIS 199.A N ARG 195.A O no hydrogen 3.360 N/A HIS 199.A NE2 ALA 3.A O no hydrogen 2.922 N/A TYR 200.A N ALA 196.A O no hydrogen 3.061 N/A TYR 200.A OH GLU 274.A OE1 no hydrogen 2.611 N/A ARG 201.A N VAL 197.A O no hydrogen 2.807 N/A ARG 201.A NE GLU 198.A OE2 no hydrogen 2.947 N/A ARG 201.A NH1 GLU 198.A OE1 no hydrogen 2.958 N/A ARG 201.A NH2 ASP 173.A OD1 no hydrogen 3.010 N/A ARG 201.A NH2 ASP 173.A OD2 no hydrogen 3.153 N/A ILE 202.A N GLU 198.A O no hydrogen 2.879 N/A ALA 203.A N HIS 199.A O no hydrogen 3.110 N/A PHE 204.A N TYR 200.A O no hydrogen 3.021 N/A ALA 205.A N ILE 202.A O no hydrogen 3.252 N/A ASP 206.A N ALA 203.A O no hydrogen 3.173 N/A MET 208.A N ASP 206.A OD1 no hydrogen 2.882 N/A ARG 209.A NH1 SER 69.A O no hydrogen 3.131 N/A ARG 209.A NH2 GLY 65.A O no hydrogen 2.937 N/A ARG 209.A NH2 SER 69.A O no hydrogen 2.807 N/A ARG 210.A N ASP 206.A O no hydrogen 3.065 N/A ARG 210.A NH2 PHE 204.A O no hydrogen 2.853 N/A HIS 211.A N PRO 207.A O no hydrogen 2.922 N/A HIS 211.A ND1 GLU 165.A OE1 no hydrogen 2.729 N/A VAL 212.A N MET 208.A O no hydrogen 3.106 N/A MET 213.A N ARG 209.A O no hydrogen 3.101 N/A CYS 214.A N ARG 210.A O no hydrogen 3.004 N/A CYS 214.A SG ARG 210.A O no hydrogen 3.567 N/A GLU 215.A N HIS 211.A O no hydrogen 2.882 N/A ASP 216.A N VAL 212.A O no hydrogen 2.852 N/A TYR 217.A N MET 213.A O no hydrogen 3.077 N/A ARG 218.A N CYS 214.A O no hydrogen 2.757 N/A ARG 218.A NE GLN 159.A O no hydrogen 2.890 N/A ARG 218.A NH1 GLN 159.A O no hydrogen 2.905 N/A ARG 218.A NH1 GLU 165.A OE1 no hydrogen 3.241 N/A ARG 218.A NH1 GLU 165.A OE2 no hydrogen 2.835 N/A ARG 218.A NH2 GLU 165.A OE1 no hydrogen 2.838 N/A ARG 218.A NH2 GLU 215.A OE2 no hydrogen 2.890 N/A ALA 219.A N GLU 215.A O no hydrogen 2.870 N/A GLY 220.A N ASP 216.A O no hydrogen 2.912 N/A ALA 221.A N TYR 217.A O no hydrogen 2.988 N/A ALA 221.A N ARG 218.A O no hydrogen 3.131 N/A TYR 222.A N ARG 218.A O no hydrogen 3.082 N/A TYR 222.A N ALA 219.A O no hydrogen 3.143 N/A ASP 224.A N ALA 219.A O no hydrogen 2.829 N/A GLU 226.A N TYR 222.A O no hydrogen 2.963 N/A HIS 227.A N ALA 223.A O no hydrogen 2.849 N/A ASP 228.A N ASP 224.A O no hydrogen 3.029 N/A LYS 229.A N PHE 225.A O no hydrogen 2.840 N/A LYS 229.A NZ GLU 233.A OE1.B no hydrogen 2.902 N/A LYS 229.A NZ GLU 233.A OE2.A no hydrogen 2.484 N/A ILE 230.A N.A GLU 226.A O no hydrogen 3.124 N/A ILE 230.A N.B GLU 226.A O no hydrogen 3.104 N/A ASP 231.A N HIS 227.A O no hydrogen 3.374 N/A VAL 232.A N ASP 228.A O no hydrogen 2.964 N/A GLU 233.A N.A LYS 229.A O no hydrogen 2.939 N/A GLU 233.A N.B LYS 229.A O no hydrogen 2.956 N/A ALA 234.A N ILE 230.A O.A no hydrogen 3.211 N/A ALA 234.A N ILE 230.A O.B no hydrogen 3.064 N/A ALA 234.A N ASP 231.A O no hydrogen 3.168 N/A GLY 235.A N VAL 232.A O no hydrogen 3.123 N/A ASN 236.A N ASP 231.A O no hydrogen 2.958 N/A ASN 236.A ND2 ASP 231.A OD1 no hydrogen 2.980 N/A LYS 237.A NZ ARG 255.A O no hydrogen 3.019 N/A ILE 238.A N TRP 257.A O no hydrogen 2.776 N/A MET 242.A N ASP 260.A O no hydrogen 2.945 N/A LEU 243.A N LEU 128.A O no hydrogen 2.850 N/A ALA 244.A N GLN 262.A O no hydrogen 2.920 N/A LEU 245.A N VAL 130.A O no hydrogen 2.951 N/A TRP 246.A N ALA 264.A O no hydrogen 3.364 N/A GLY 247.A N ASP 132.A OD1 no hydrogen 2.901 N/A ALA 248.A N SER 268.A O no hydrogen 3.031 N/A VAL 253.A N THR 249.A O no hydrogen 2.865 N/A TRP 254.A N PRO 250.A O no hydrogen 2.858 N/A TRP 254.A NE1 ILE 133.A O no hydrogen 2.935 N/A ARG 255.A N LEU 251.A O no hydrogen 2.850 N/A LYS 256.A N.A VAL 253.A O no hydrogen 3.011 N/A LYS 256.A N.B VAL 253.A O no hydrogen 3.034 N/A LYS 256.A NZ.A GLU 138.A OE2 no hydrogen 2.727 N/A TRP 257.A N TRP 254.A O no hydrogen 2.867 N/A TRP 257.A NE1 GLU 138.A OE2 no hydrogen 2.949 N/A SER 259.A N ILE 238.A O no hydrogen 2.936 N/A SER 259.A OG ILE 238.A O no hydrogen 3.387 N/A GLN 262.A N MET 242.A O no hydrogen 2.977 N/A ALA 264.A N ALA 244.A O no hydrogen 3.069 N/A ILE 266.A N TRP 246.A O no hydrogen 2.882 N/A SER 268.A OG GLY 269.A O no hydrogen 2.583 N/A GLY 269.A N GLU 275.A OE1 no hydrogen 2.894 N/A HIS 270.A N TRP 183.A O no hydrogen 2.831 N/A HIS 270.A ND1 ASP 132.A OD2 no hydrogen 2.664 N/A PHE 271.A N GLU 275.A OE2 no hydrogen 2.936 N/A LEU 272.A N HIS 270.A O no hydrogen 2.923 N/A GLU 274.A N PHE 271.A O no hydrogen 2.936 N/A GLU 275.A N PHE 271.A O no hydrogen 2.855 N/A ALA 276.A N LEU 272.A O no hydrogen 2.889 N/A GLN 279.A N GLN 279.A OE1 no hydrogen 2.841 N/A THR 280.A N ALA 276.A O no hydrogen 2.967 N/A THR 280.A OG1 LEU 272.A O no hydrogen 3.200 N/A THR 280.A OG1 ALA 276.A O no hydrogen 2.778 N/A ALA 281.A N PRO 277.A O no hydrogen 2.826 N/A GLU 282.A N ASP 278.A O no hydrogen 3.054 N/A ALA 283.A N GLN 279.A O no hydrogen 2.982 N/A LEU 284.A N THR 280.A O no hydrogen 3.031 N/A VAL 285.A N ALA 281.A O no hydrogen 2.892 N/A ARG 286.A N GLU 282.A O no hydrogen 2.941 N/A PHE 287.A N ALA 283.A O no hydrogen 3.022 N/A PHE 288.A N LEU 284.A O no hydrogen 2.965 N/A SER 289.A N VAL 285.A O no hydrogen 3.067 N/A SER 289.A OG VAL 285.A O no hydrogen 2.546 N/A