Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4at5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ASP 4.A OD2 no hydrogen 2.938 N/A ASP 4.A N GLY 1.A O no hydrogen 3.132 N/A THR 5.A N ALA 2.A O no hydrogen 3.259 N/A THR 5.A OG1 ALA 2.A O no hydrogen 3.355 N/A PHE 6.A N MET 3.A O no hydrogen 3.148 N/A GLN 8.A NE2 HIS 9.A O no hydrogen 2.952 N/A ILE 10.A N VAL 78.A O no hydrogen 2.751 N/A ARG 12.A N GLU 81.A OE1 no hydrogen 2.931 N/A ARG 12.A NH1 ARG 12.A O no hydrogen 3.116 N/A ARG 12.A NH1 ILE 15.A O no hydrogen 2.786 N/A ASN 14.A N LYS 11.A O no hydrogen 2.958 N/A ILE 15.A N ARG 12.A O no hydrogen 3.115 N/A VAL 16.A N GLU 33.A O no hydrogen 2.870 N/A LYS 18.A N LEU 31.A O no hydrogen 2.796 N/A ARG 19.A N LEU 31.A O no hydrogen 3.265 N/A LEU 21.A N VAL 29.A O no hydrogen 2.706 N/A GLU 23.A N TYR 174.A OH no hydrogen 2.840 N/A GLY 24.A N GLY 27.A O no hydrogen 2.787 N/A ALA 25.A N GLY 168.A O no hydrogen 2.812 N/A LYS 28.A NZ GLU 20.A OE1 no hydrogen 3.139 N/A LYS 28.A NZ GLU 20.A OE2 no hydrogen 3.540 N/A LYS 28.A NZ GLU 23.A OE2 no hydrogen 2.799 N/A VAL 29.A N GLY 22.A O no hydrogen 3.025 N/A PHE 30.A N VAL 43.A O no hydrogen 2.879 N/A LEU 31.A N ARG 19.A O no hydrogen 2.762 N/A ALA 32.A N VAL 41.A O no hydrogen 2.856 N/A GLU 33.A N VAL 16.A O no hydrogen 2.824 N/A CYS 34.A N ILE 39.A O no hydrogen 2.758 N/A CYS 34.A SG ASN 14.A O no hydrogen 3.554 N/A CYS 34.A SG TYR 35.A O no hydrogen 4.028 N/A TYR 35.A N ASN 14.A O no hydrogen 2.836 N/A ASN 36.A ND2 ASN 14.A OD1 no hydrogen 3.175 N/A ILE 39.A N CYS 34.A O no hydrogen 2.985 N/A VAL 41.A N ALA 32.A O no hydrogen 2.816 N/A ALA 42.A N PHE 89.A O no hydrogen 2.871 N/A VAL 43.A N PHE 30.A O no hydrogen 2.776 N/A LYS 44.A N MET 87.A O no hydrogen 2.886 N/A LYS 44.A NZ ASP 166.A O no hydrogen 2.899 N/A LYS 44.A NZ PHE 167.A O no hydrogen 3.116 N/A THR 45.A N LYS 28.A O no hydrogen 2.947 N/A THR 45.A OG1 LYS 28.A O no hydrogen 2.959 N/A LEU 46.A N LEU 85.A O no hydrogen 2.938 N/A ASP 48.A N ASP 83.A OD1 no hydrogen 2.745 N/A ALA 53.A N SER 50.A OG no hydrogen 3.111 N/A ARG 54.A N SER 50.A O no hydrogen 3.008 N/A ARG 54.A NH1 ALA 49.A O no hydrogen 3.006 N/A ARG 54.A NH1 ASP 51.A OD1 no hydrogen 3.202 N/A ARG 54.A NH2 ASP 51.A OD1 no hydrogen 2.733 N/A LYS 55.A N ASP 51.A O no hydrogen 2.902 N/A LYS 55.A NZ ASP 56.A OD1 no hydrogen 3.419 N/A ASP 56.A N ASN 52.A O no hydrogen 2.927 N/A PHE 57.A N ALA 53.A O no hydrogen 2.959 N/A HIS 58.A N ARG 54.A O no hydrogen 3.079 N/A ARG 59.A N LYS 55.A O no hydrogen 2.961 N/A GLU 60.A N ASP 56.A O no hydrogen 2.864 N/A ALA 61.A N PHE 57.A O no hydrogen 2.903 N/A GLU 62.A N HIS 58.A O no hydrogen 2.839 N/A LEU 63.A N ARG 59.A O no hydrogen 2.999 N/A LEU 64.A N GLU 60.A O no hydrogen 2.948 N/A THR 65.A N ALA 61.A O no hydrogen 2.894 N/A THR 65.A OG1 ASP 4.A O no hydrogen 2.703 N/A THR 65.A OG1 PHE 6.A O no hydrogen 3.515 N/A ASN 66.A N LEU 63.A O no hydrogen 3.303 N/A LEU 67.A N LEU 64.A O no hydrogen 3.045 N/A GLN 68.A N TYR 138.A OH no hydrogen 3.096 N/A GLN 68.A NE2 LEU 64.A O no hydrogen 3.673 N/A GLN 68.A NE2 THR 65.A O no hydrogen 3.245 N/A GLN 68.A NE2 PHE 75.A O no hydrogen 3.267 N/A HIS 71.A N HIS 69.A ND1 no hydrogen 2.975 N/A HIS 71.A ND1 VAL 162.A O no hydrogen 2.918 N/A ILE 72.A N HIS 69.A O no hydrogen 3.135 N/A VAL 73.A N ILE 164.A O no hydrogen 2.908 N/A LYS 74.A N GLU 90.A OE2 no hydrogen 2.888 N/A TYR 76.A N VAL 88.A O no hydrogen 2.818 N/A VAL 78.A N GLN 8.A O no hydrogen 2.961 N/A CYS 79.A N ILE 86.A O no hydrogen 2.851 N/A CYS 79.A SG ILE 10.A O no hydrogen 3.334 N/A LEU 85.A N LEU 46.A O no hydrogen 2.895 N/A ILE 86.A N CYS 79.A O no hydrogen 2.866 N/A MET 87.A N LYS 44.A O no hydrogen 2.833 N/A VAL 88.A N GLY 77.A O no hydrogen 2.844 N/A PHE 89.A N ALA 42.A O no hydrogen 2.797 N/A GLU 90.A N LYS 74.A O no hydrogen 2.944 N/A LYS 93.A NZ GLU 158.A OE2 no hydrogen 3.457 N/A HIS 94.A N VAL 156.A O no hydrogen 2.843 N/A LEU 97.A N CYS 154.A O no hydrogen 2.832 N/A ASN 98.A ND2 THR 151.A OG1 no hydrogen 3.132 N/A ASN 98.A ND2 GLU 217.A OE1 no hydrogen 3.506 N/A ASN 98.A ND2 GLY 222.A O no hydrogen 3.118 N/A LYS 99.A N ASP 96.A OD1 no hydrogen 2.941 N/A LYS 99.A NZ ASP 96.A OD2 no hydrogen 3.460 N/A PHE 100.A N ASP 96.A O no hydrogen 3.071 N/A LEU 101.A N LEU 97.A O no hydrogen 2.789 N/A ARG 102.A N ASN 98.A O no hydrogen 3.037 N/A ARG 102.A NE ASN 98.A OD1 no hydrogen 3.028 N/A ALA 103.A N LYS 99.A O no hydrogen 2.921 N/A HIS 104.A N LEU 101.A O no hydrogen 3.116 N/A HIS 104.A ND1 PHE 100.A O no hydrogen 2.860 N/A GLY 105.A N ARG 102.A O no hydrogen 3.153 N/A VAL 109.A N GLY 105.A O no hydrogen 3.123 N/A LEU 110.A N PRO 106.A O no hydrogen 2.968 N/A MET 111.A N ASP 107.A O no hydrogen 2.868 N/A GLU 113.A N GLU 113.A OE1 no hydrogen 2.752 N/A THR 118.A N LEU 293.A O no hydrogen 2.996 N/A LEU 120.A N HIS 104.A O no hydrogen 2.836 N/A THR 121.A N GLN 124.A OE1 no hydrogen 3.137 N/A SER 123.A OG SER 286.A O no hydrogen 3.347 N/A GLN 124.A N THR 121.A OG1 no hydrogen 3.059 N/A MET 125.A N THR 121.A O no hydrogen 2.914 N/A LEU 126.A N GLN 122.A O no hydrogen 2.965 N/A HIS 127.A N SER 123.A O no hydrogen 3.020 N/A ILE 128.A N GLN 124.A O no hydrogen 3.040 N/A ALA 129.A N MET 125.A O no hydrogen 2.907 N/A GLN 130.A N LEU 126.A O no hydrogen 2.935 N/A GLN 130.A NE2 HIS 127.A ND1 no hydrogen 3.170 N/A GLN 131.A N HIS 127.A O no hydrogen 3.396 N/A GLN 131.A NE2 HIS 127.A O no hydrogen 3.139 N/A GLN 131.A NE2 LEU 160.A O no hydrogen 2.858 N/A ILE 132.A N ILE 128.A O no hydrogen 3.212 N/A ALA 133.A N ALA 129.A O no hydrogen 2.925 N/A ALA 134.A N GLN 130.A O no hydrogen 2.864 N/A GLY 135.A N GLN 131.A O no hydrogen 3.002 N/A MET 136.A N ILE 132.A O no hydrogen 3.005 N/A VAL 137.A N ALA 133.A O no hydrogen 2.912 N/A TYR 138.A N ALA 134.A O no hydrogen 3.114 N/A LEU 139.A N GLY 135.A O no hydrogen 2.914 N/A ALA 140.A N MET 136.A O no hydrogen 2.946 N/A SER 141.A N VAL 137.A O no hydrogen 2.974 N/A SER 141.A OG TYR 138.A O no hydrogen 2.589 N/A SER 141.A OG GLN 142.A OE1 no hydrogen 3.095 N/A GLN 142.A N TYR 138.A O no hydrogen 3.161 N/A GLN 142.A N LEU 139.A O no hydrogen 3.053 N/A HIS 143.A N ALA 140.A O no hydrogen 2.924 N/A PHE 144.A N LEU 139.A O no hydrogen 3.009 N/A HIS 146.A N ASP 207.A OD2 no hydrogen 2.765 N/A HIS 146.A NE2 GLY 165.A O no hydrogen 2.781 N/A ARG 147.A N ASP 207.A OD1 no hydrogen 3.085 N/A ASP 148.A N HIS 146.A ND1 no hydrogen 2.941 N/A THR 151.A N GLU 217.A OE2 no hydrogen 2.998 N/A THR 151.A OG1 GLU 217.A OE1 no hydrogen 2.634 N/A ARG 152.A NE ASP 177.A OD2 no hydrogen 2.848 N/A ARG 152.A NH1 ASP 148.A OD1 no hydrogen 3.401 N/A ARG 152.A NH1 ASP 148.A OD2 no hydrogen 2.933 N/A ARG 152.A NH2 ASP 148.A OD1 no hydrogen 2.888 N/A ASN 153.A N ALA 150.A O no hydrogen 2.857 N/A ASN 153.A ND2 ASP 148.A O no hydrogen 2.819 N/A CYS 154.A N THR 151.A O no hydrogen 2.974 N/A CYS 154.A SG ALA 150.A O no hydrogen 3.774 N/A LEU 155.A N LYS 163.A O no hydrogen 2.843 N/A VAL 156.A N GLY 95.A O no hydrogen 2.880 N/A GLY 157.A N LEU 161.A O no hydrogen 2.761 N/A LEU 161.A N GLU 158.A O no hydrogen 3.069 N/A VAL 162.A N GLN 131.A OE1 no hydrogen 2.916 N/A LYS 163.A N LEU 155.A O no hydrogen 3.001 N/A LYS 163.A NZ GLU 90.A OE1 no hydrogen 3.536 N/A LYS 163.A NZ GLU 90.A OE2 no hydrogen 2.796 N/A ILE 164.A N HIS 71.A O no hydrogen 2.805 N/A GLY 165.A N ASN 153.A O no hydrogen 2.807 N/A PHE 167.A N ASN 153.A OD1 no hydrogen 2.934 N/A GLY 168.A N ASP 166.A OD1 no hydrogen 2.958 N/A SER 170.A N GLU 23.A O no hydrogen 2.868 N/A ARG 171.A NH1 MET 186.A O no hydrogen 2.903 N/A VAL 173.A N SER 170.A OG no hydrogen 3.257 N/A TYR 174.A N SER 170.A O no hydrogen 3.036 N/A SER 175.A OG ARG 171.A O no hydrogen 2.750 N/A SER 175.A OG ASP 172.A O no hydrogen 3.132 N/A TYR 178.A N SER 175.A O no hydrogen 3.023 N/A TYR 178.A OH ASP 148.A OD2 no hydrogen 2.584 N/A TYR 179.A N LEU 187.A O no hydrogen 2.897 N/A TYR 179.A OH ASN 232.A OD1 no hydrogen 2.709 N/A VAL 181.A N TYR 179.A O no hydrogen 2.972 N/A VAL 181.A N THR 185.A O no hydrogen 2.944 N/A GLY 183.A N ARG 180.A O no hydrogen 2.961 N/A HIS 184.A N VAL 181.A O no hydrogen 3.011 N/A THR 185.A N VAL 181.A O no hydrogen 3.232 N/A LEU 187.A N TYR 179.A O no hydrogen 2.882 N/A ILE 189.A N LEU 187.A O no hydrogen 2.893 N/A ARG 190.A NH1 PRO 225.A O no hydrogen 3.089 N/A ARG 190.A NH1 TRP 226.A O no hydrogen 2.874 N/A ARG 190.A NH1 LEU 229.A O no hydrogen 3.448 N/A ARG 190.A NH2 LEU 229.A O no hydrogen 2.944 N/A ARG 190.A NH2 ASN 231.A OD1 no hydrogen 3.128 N/A TRP 191.A N PRO 188.A O no hydrogen 2.969 N/A TRP 191.A NE1 GLU 217.A OE2 no hydrogen 2.842 N/A MET 192.A N ILE 189.A O no hydrogen 3.026 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 2.807 N/A SER 196.A N PRO 193.A O no hydrogen 3.156 N/A SER 196.A OG LYS 201.A O no hydrogen 2.767 N/A ILE 197.A N PRO 193.A O no hydrogen 3.145 N/A MET 198.A N PRO 194.A O no hydrogen 2.854 N/A TYR 199.A N GLU 195.A O no hydrogen 2.934 N/A LYS 201.A N GLU 195.A O no hydrogen 3.301 N/A THR 203.A N SER 206.A OG no hydrogen 2.739 N/A THR 203.A OG1 GLU 205.A OE1 no hydrogen 3.201 N/A SER 206.A N THR 203.A OG1 no hydrogen 3.115 N/A SER 206.A OG THR 203.A O no hydrogen 2.880 N/A ASP 207.A N THR 203.A O no hydrogen 3.075 N/A VAL 208.A N THR 204.A O no hydrogen 2.967 N/A TRP 209.A N GLU 205.A O no hydrogen 3.187 N/A SER 210.A N SER 206.A O no hydrogen 3.081 N/A SER 210.A OG TRP 191.A O no hydrogen 2.711 N/A SER 210.A OG SER 206.A O no hydrogen 3.324 N/A LEU 211.A N ASP 207.A O no hydrogen 2.829 N/A GLY 212.A N VAL 208.A O no hydrogen 3.052 N/A VAL 213.A N TRP 209.A O no hydrogen 3.166 N/A VAL 214.A N SER 210.A O no hydrogen 2.804 N/A LEU 215.A N LEU 211.A O no hydrogen 2.874 N/A TRP 216.A N GLY 212.A O no hydrogen 3.040 N/A TRP 216.A NE1 GLN 245.A O no hydrogen 2.800 N/A GLU 217.A N VAL 213.A O no hydrogen 2.820 N/A ILE 218.A N VAL 214.A O no hydrogen 2.852 N/A PHE 219.A N LEU 215.A O no hydrogen 3.060 N/A THR 220.A N GLU 217.A O no hydrogen 3.321 N/A THR 220.A OG1 TRP 216.A O no hydrogen 2.967 N/A THR 220.A OG1 GLU 217.A O no hydrogen 3.281 N/A TYR 221.A N ILE 218.A O no hydrogen 3.162 N/A GLY 222.A N GLU 217.A O no hydrogen 2.756 N/A GLN 224.A NE2 ASP 177.A OD1 no hydrogen 3.020 N/A TRP 226.A NE1 ARG 190.A O no hydrogen 3.128 N/A TYR 227.A N GLN 224.A O no hydrogen 3.119 N/A GLN 228.A N GLN 228.A OE1 no hydrogen 2.778 N/A GLN 228.A NE2 GLN 245.A OE1 no hydrogen 3.394 N/A LEU 229.A N TRP 226.A O no hydrogen 2.852 N/A SER 230.A N GLU 233.A OE1 no hydrogen 2.957 N/A GLU 233.A N SER 230.A OG no hydrogen 3.174 N/A VAL 234.A N SER 230.A O no hydrogen 2.924 N/A ILE 235.A N ASN 231.A O no hydrogen 3.091 N/A GLU 236.A N ASN 232.A O no hydrogen 3.126 N/A CYS 237.A N GLU 233.A O no hydrogen 2.967 N/A CYS 237.A SG GLU 233.A O no hydrogen 3.520 N/A ILE 238.A N VAL 234.A O no hydrogen 2.951 N/A THR 239.A N ILE 235.A O no hydrogen 2.962 N/A THR 239.A OG1 ILE 235.A O no hydrogen 2.858 N/A THR 239.A OG1 GLU 236.A O no hydrogen 3.421 N/A GLN 240.A N GLU 236.A O no hydrogen 2.930 N/A GLY 241.A N CYS 237.A O no hydrogen 2.971 N/A GLY 241.A N ILE 238.A O no hydrogen 3.349 N/A ARG 242.A N CYS 237.A O no hydrogen 2.882 N/A ARG 246.A NE GLN 252.A OE1 no hydrogen 2.810 N/A ARG 246.A NH1 PRO 247.A O no hydrogen 3.407 N/A ARG 246.A NH2 GLN 252.A OE1 no hydrogen 3.138 N/A THR 249.A OG1 GLN 122.A OE1 no hydrogen 3.016 N/A CYS 250.A SG PRO 251.A O no hydrogen 3.351 N/A GLN 252.A NE2 GLU 256.A OE2 no hydrogen 2.948 N/A TYR 255.A N PRO 251.A O no hydrogen 3.110 N/A TYR 255.A OH LEU 244.A O no hydrogen 2.685 N/A GLU 256.A N GLN 252.A O no hydrogen 2.947 N/A LEU 257.A N GLU 253.A O no hydrogen 2.939 N/A MET 258.A N VAL 254.A O no hydrogen 3.052 N/A LEU 259.A N TYR 255.A O no hydrogen 2.995 N/A GLY 260.A N GLU 256.A O no hydrogen 2.946 N/A CYS 261.A N LEU 257.A O no hydrogen 3.079 N/A CYS 261.A N MET 258.A O no hydrogen 2.939 N/A CYS 261.A SG VAL 208.A O no hydrogen 3.680 N/A CYS 261.A SG LEU 257.A O no hydrogen 3.522 N/A TRP 262.A N LEU 259.A O no hydrogen 3.024 N/A ARG 264.A NH1 THR 239.A O no hydrogen 2.748 N/A ARG 264.A NH2 THR 239.A O no hydrogen 2.782 N/A MET 268.A N GLU 265.A O no hydrogen 2.879 N/A ARG 269.A N PRO 266.A O no hydrogen 3.191 N/A ARG 269.A NE GLN 263.A O no hydrogen 2.802 N/A ARG 269.A NH1 GLU 195.A OE2 no hydrogen 2.870 N/A ARG 269.A NH1 GLU 205.A O no hydrogen 3.040 N/A ARG 269.A NH2 GLU 195.A OE1 no hydrogen 2.857 N/A ARG 269.A NH2 GLU 195.A OE2 no hydrogen 3.467 N/A ARG 269.A NH2 GLN 263.A O no hydrogen 3.259 N/A ARG 269.A NH2 ARG 264.A O no hydrogen 3.057 N/A LYS 270.A N GLY 260.A O no hydrogen 2.999 N/A ILE 275.A N ASN 271.A O no hydrogen 3.135 N/A HIS 276.A N ILE 272.A O no hydrogen 3.008 N/A THR 277.A N LYS 273.A O no hydrogen 2.891 N/A THR 277.A OG1 LYS 273.A O no hydrogen 3.043 N/A LEU 278.A N GLY 274.A O no hydrogen 2.993 N/A LEU 279.A N ILE 275.A O no hydrogen 3.035 N/A GLN 280.A N HIS 276.A O no hydrogen 2.826 N/A ASN 281.A N THR 277.A O no hydrogen 3.036 N/A LEU 282.A N LEU 278.A O no hydrogen 2.951 N/A ALA 283.A N LEU 279.A O no hydrogen 2.844 N/A LYS 284.A N GLN 280.A O no hydrogen 3.001 N/A LYS 284.A NZ ASN 281.A OD1 no hydrogen 3.481 N/A ALA 285.A N ASN 281.A O no hydrogen 3.202 N/A SER 286.A N ALA 283.A O no hydrogen 3.104 N/A LEU 293.A N THR 118.A OG1 no hydrogen 3.050 N/A