Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1cak_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N HIS 2.A ND1.B no hydrogen 3.086 N/A GLY 4.A N ASN 9.A O no hydrogen 2.850 N/A GLY 6.A N ASN 9.A OD1 no hydrogen 2.883 N/A LYS 7.A NZ GLU 12.A OE2.A no hydrogen 2.577 N/A ASN 9.A ND2 HIS 2.A O no hydrogen 2.935 N/A GLU 12.A N GLU 12.A OE1.A no hydrogen 2.907 N/A HIS 13.A N GLY 10.A O no hydrogen 2.678 N/A HIS 13.A NE2 LYS 7.A O no hydrogen 3.070 N/A TRP 14.A N PRO 11.A O no hydrogen 3.277 N/A TRP 14.A NE1 GLY 4.A O no hydrogen 3.056 N/A TRP 14.A NE1 ASN 9.A O no hydrogen 3.181 N/A LYS 16.A N HIS 13.A O no hydrogen 3.129 N/A LYS 16.A NZ HIS 13.A ND1 no hydrogen 2.737 N/A ASP 17.A N TRP 14.A O no hydrogen 3.023 N/A PHE 18.A N TRP 14.A O no hydrogen 2.910 N/A ALA 21.A N PHE 18.A O no hydrogen 2.940 N/A LYS 22.A N PRO 19.A O no hydrogen 3.131 N/A GLY 23.A N ILE 20.A O no hydrogen 2.785 N/A ARG 25.A N GLU 202.A OE2 no hydrogen 2.938 N/A ARG 25.A NE GLY 193.A O no hydrogen 2.826 N/A ARG 25.A NH1 PRO 135.A O no hydrogen 3.332 N/A ARG 25.A NH2 PRO 135.A O no hydrogen 3.176 N/A ARG 25.A NH2 GLY 193.A O no hydrogen 3.168 N/A ARG 25.A NH2 VAL 204.A O no hydrogen 2.930 N/A GLN 26.A NE2 LEU 200.A O no hydrogen 3.084 N/A GLN 26.A NE2 GLU 202.A OE2 no hydrogen 2.999 N/A SER 27.A N SER 194.A OG no hydrogen 2.879 N/A SER 27.A OG TYR 191.A OH no hydrogen 2.761 N/A SER 27.A OG SER 194.A O no hydrogen 3.517 N/A ILE 31.A N THR 106.A O no hydrogen 2.793 N/A THR 33.A N ASP 108.A OD1 no hydrogen 2.826 N/A THR 33.A OG1 ASP 108.A OD1 no hydrogen 3.345 N/A THR 33.A OG1 ASP 108.A OD2 no hydrogen 2.495 N/A HIS 34.A N ASP 32.A OD1 no hydrogen 2.936 N/A THR 35.A N ASP 32.A O no hydrogen 3.259 N/A ALA 36.A N ASP 32.A O no hydrogen 3.181 N/A LYS 37.A N ILE 253.A O no hydrogen 2.922 N/A LYS 37.A NZ TYR 38.A O no hydrogen 3.434 N/A ASP 39.A N ALA 255.A O no hydrogen 2.909 N/A SER 41.A N ASP 39.A OD1 no hydrogen 2.767 N/A SER 41.A OG ASP 39.A OD1 no hydrogen 3.096 N/A LEU 42.A N ASP 39.A O no hydrogen 2.990 N/A SER 46.A N LYS 78.A O no hydrogen 2.953 N/A SER 48.A N VAL 76.A O no hydrogen 2.792 N/A TYR 49.A OH HIS 120.A NE2 no hydrogen 2.836 N/A ALA 52.A N TYR 49.A O no hydrogen 3.279 N/A SER 54.A OG PHE 173.A O no hydrogen 2.843 N/A LEU 55.A N GLU 67.A O no hydrogen 2.866 N/A ARG 56.A NE GLU 67.A OE1 no hydrogen 2.760 N/A ARG 56.A NH2 GLU 67.A OE1 no hydrogen 3.080 N/A ARG 56.A NH2 GLU 67.A OE2 no hydrogen 2.993 N/A ILE 57.A N ALA 171.A O no hydrogen 2.940 N/A LEU 58.A N ASN 65.A O no hydrogen 2.893 N/A ASN 59.A N LYS 169.A O no hydrogen 2.827 N/A ASN 59.A ND2 ILE 164.A O no hydrogen 2.884 N/A ASN 59.A ND2 ASN 227.A O no hydrogen 3.292 N/A ASN 60.A N ALA 63.A O no hydrogen 3.093 N/A ASN 60.A ND2 ASN 65.A OD1 no hydrogen 3.564 N/A GLY 61.A N ASN 59.A OD1 no hydrogen 2.893 N/A HIS 62.A N ASN 60.A OD1 no hydrogen 2.869 N/A ALA 63.A N ASN 60.A OD1 no hydrogen 3.107 N/A ASN 65.A N LEU 58.A O no hydrogen 2.779 N/A VAL 66.A N PHE 91.A O no hydrogen 2.904 N/A GLU 67.A N ARG 56.A O no hydrogen 2.813 N/A PHE 68.A N ILE 89.A O no hydrogen 2.825 N/A ASP 69.A N THR 53.A O no hydrogen 2.855 N/A SER 71.A N ASP 69.A OD1 no hydrogen 3.024 N/A SER 71.A OG ASP 69.A OD1 no hydrogen 2.993 N/A LYS 74.A N GLN 72.A O no hydrogen 2.998 N/A LYS 74.A NZ ASP 69.A OD2 no hydrogen 3.085 N/A VAL 76.A N SER 48.A O no hydrogen 2.864 N/A LEU 77.A N TYR 86.A O no hydrogen 2.742 N/A LYS 78.A N SER 46.A O no hydrogen 3.010 N/A GLY 80.A N PRO 44.A O no hydrogen 3.008 N/A LEU 82.A N GLY 79.A O no hydrogen 2.978 N/A TYR 86.A N LEU 77.A O no hydrogen 2.953 N/A TYR 86.A OH ASP 136.A O no hydrogen 2.839 N/A ARG 87.A N TRP 121.A O no hydrogen 2.981 N/A ARG 87.A NE ASP 73.A OD1 no hydrogen 2.532 N/A ARG 87.A NH1 ASP 70.A O no hydrogen 2.958 N/A ARG 87.A NH2 ASP 73.A OD1 no hydrogen 2.904 N/A LEU 88.A N ALA 75.A O no hydrogen 2.927 N/A ILE 89.A N VAL 119.A O no hydrogen 2.950 N/A PHE 91.A N VAL 66.A O no hydrogen 3.043 N/A HIS 92.A N HIS 117.A O no hydrogen 3.089 N/A HIS 92.A ND1 GLN 90.A OE1 no hydrogen 2.756 N/A HIS 94.A N GLU 115.A O no hydrogen 3.001 N/A HIS 94.A ND1 ASN 241.A O no hydrogen 2.727 N/A TRP 95.A N ASN 241.A OD1 no hydrogen 2.846 N/A TRP 95.A NE1 MET 238.A O no hydrogen 2.924 N/A SER 97.A N ASP 240.A OD1 no hydrogen 3.008 N/A SER 97.A OG ASP 240.A OD2 no hydrogen 2.981 N/A GLN 101.A N LEU 98.A O no hydrogen 3.398 N/A GLN 101.A NE2 ASP 240.A OD1 no hydrogen 2.805 N/A SER 103.A N TYR 112.A O no hydrogen 3.189 N/A SER 103.A OG HIS 105.A O no hydrogen 2.919 N/A GLN 104.A N GLU 115.A OE1 no hydrogen 2.852 N/A HIS 105.A N GLU 115.A OE1 no hydrogen 2.819 N/A HIS 105.A ND1 GLU 115.A OE2 no hydrogen 2.942 N/A HIS 105.A NE2 TYR 191.A OH no hydrogen 2.656 N/A THR 106.A OG1 ASP 30.A OD1 no hydrogen 2.587 N/A VAL 107.A N LYS 110.A O no hydrogen 3.023 N/A ASP 108.A N ILE 31.A O no hydrogen 2.698 N/A LYS 109.A N ASP 30.A OD1 no hydrogen 2.784 N/A LYS 110.A N VAL 107.A O no hydrogen 2.990 N/A TYR 112.A N SER 103.A OG no hydrogen 2.923 N/A GLU 115.A N HIS 94.A O no hydrogen 2.905 N/A LEU 116.A N ILE 143.A O no hydrogen 2.774 N/A HIS 117.A N HIS 92.A O no hydrogen 2.805 N/A HIS 117.A NE2 GLU 115.A OE2 no hydrogen 2.564 N/A LEU 118.A N LEU 141.A O no hydrogen 3.034 N/A VAL 119.A N GLN 90.A O no hydrogen 2.919 N/A HIS 120.A N ALA 139.A O no hydrogen 2.883 N/A HIS 120.A ND1 ALA 139.A O no hydrogen 3.035 N/A HIS 120.A NE2 TYR 49.A OH no hydrogen 2.836 N/A TRP 121.A N ARG 87.A O no hydrogen 2.845 N/A TRP 121.A NE1 ASP 70.A OD2 no hydrogen 2.715 N/A ASN 122.A N GLY 137.A O no hydrogen 2.715 N/A ASN 122.A ND2 ASP 136.A O no hydrogen 3.129 N/A THR 123.A N THR 85.A O no hydrogen 3.041 N/A THR 123.A OG1 THR 85.A O no hydrogen 3.456 N/A LYS 124.A N ASN 122.A OD1 no hydrogen 3.088 N/A LYS 124.A NZ TYR 125.A OH no hydrogen 3.247 N/A LYS 124.A NZ ASP 136.A OD2 no hydrogen 3.377 N/A TYR 125.A N ASN 122.A O no hydrogen 2.902 N/A TYR 125.A OH ASP 136.A OD1 no hydrogen 2.584 N/A GLY 126.A N THR 123.A O no hydrogen 3.061 N/A ASP 127.A N TYR 125.A O no hydrogen 2.816 N/A LYS 130.A N ASP 127.A O no hydrogen 3.210 N/A LYS 130.A N ASP 127.A OD1 no hydrogen 3.184 N/A LYS 130.A NZ ASP 127.A OD2 no hydrogen 2.959 N/A ALA 131.A N ASP 127.A O no hydrogen 3.041 N/A VAL 132.A N PHE 128.A O no hydrogen 3.108 N/A GLN 133.A N LYS 130.A O no hydrogen 3.003 N/A GLN 134.A N ALA 131.A O no hydrogen 3.101 N/A GLY 137.A N GLN 134.A O no hydrogen 3.230 N/A LEU 138.A N CYS 203.A O no hydrogen 2.826 N/A ALA 139.A N HIS 120.A O no hydrogen 2.869 N/A VAL 140.A N THR 205.A O no hydrogen 3.250 N/A LEU 141.A N LEU 118.A O no hydrogen 2.878 N/A GLY 142.A N ILE 207.A O no hydrogen 2.677 N/A ILE 143.A N LEU 116.A O no hydrogen 2.972 N/A LEU 145.A N ALA 114.A O no hydrogen 3.023 N/A LYS 146.A N ILE 213.A O no hydrogen 2.813 N/A LYS 146.A NZ SER 214.A OG no hydrogen 2.703 N/A GLY 148.A N VAL 215.A O no hydrogen 2.695 N/A LYS 151.A N GLN 219.A OE1 no hydrogen 3.075 N/A LEU 154.A N LYS 151.A O no hydrogen 2.891 N/A GLN 155.A N PRO 152.A O no hydrogen 2.949 N/A GLN 155.A NE2 ASP 159.A OD1 no hydrogen 3.104 N/A LYS 156.A NZ ASN 175.A O no hydrogen 3.318 N/A VAL 157.A N LEU 154.A O no hydrogen 2.927 N/A VAL 158.A N LEU 154.A O no hydrogen 3.155 N/A ASP 159.A N GLN 155.A O no hydrogen 3.008 N/A LEU 161.A N VAL 158.A O no hydrogen 3.320 N/A SER 163.A N VAL 160.A O no hydrogen 3.058 N/A SER 163.A OG VAL 160.A O no hydrogen 2.950 N/A ILE 164.A N LEU 161.A O no hydrogen 3.005 N/A LYS 165.A NZ LYS 225.A O no hydrogen 3.036 N/A LYS 167.A N ASN 229.A O no hydrogen 3.001 N/A GLY 168.A N ASN 59.A O no hydrogen 2.790 N/A LYS 169.A N THR 166.A O no hydrogen 3.168 N/A LYS 169.A NZ GLU 231.A OE1 no hydrogen 2.741 N/A ALA 171.A N ILE 57.A O no hydrogen 2.983 N/A PHE 173.A N LEU 55.A O no hydrogen 2.746 N/A THR 174.A OG1 ASN 175.A OD1 no hydrogen 3.251 N/A PHE 176.A N SER 54.A OG no hydrogen 2.965 N/A ARG 179.A N ASP 177.A OD1 no hydrogen 2.989 N/A ARG 179.A NE ASP 177.A OD1 no hydrogen 3.064 N/A ARG 179.A NE ASP 177.A OD2 no hydrogen 3.123 N/A ARG 179.A NH2 ASP 177.A OD2 no hydrogen 2.710 N/A GLY 180.A N ASP 177.A O no hydrogen 3.129 N/A LEU 181.A N PRO 178.A O no hydrogen 3.094 N/A LEU 182.A N ARG 179.A O no hydrogen 3.410 N/A GLU 184.A N GLU 211.A OE2 no hydrogen 3.040 N/A SER 185.A N GLU 211.A OE1 no hydrogen 2.776 N/A ASP 187.A N SER 185.A OG no hydrogen 3.120 N/A TYR 188.A N SER 256.A OG no hydrogen 2.885 N/A TYR 188.A OH LYS 43.A O no hydrogen 2.649 N/A TRP 189.A N VAL 208.A O no hydrogen 2.958 N/A THR 190.A N LYS 254.A O no hydrogen 2.857 N/A THR 190.A OG1 TRP 206.A O no hydrogen 2.709 N/A TYR 191.A N TRP 206.A O no hydrogen 3.358 N/A TYR 191.A OH SER 27.A OG no hydrogen 2.761 N/A TYR 191.A OH HIS 105.A NE2 no hydrogen 2.656 N/A GLY 193.A N VAL 204.A O no hydrogen 2.786 N/A SER 194.A N SER 27.A OG no hydrogen 2.964 N/A SER 194.A OG LEU 195.A O no hydrogen 2.854 N/A LEU 195.A N LEU 201.A O no hydrogen 3.042 N/A THR 197.A OG1 PRO 198.A O no hydrogen 3.517 N/A LEU 200.A N THR 197.A O no hydrogen 2.870 N/A CYS 203.A N LEU 201.A O no hydrogen 2.878 N/A CYS 203.A SG.A LEU 201.A O no hydrogen 3.545 N/A CYS 203.A SG.B VAL 132.A O no hydrogen 2.795 N/A VAL 204.A N GLY 193.A O no hydrogen 3.357 N/A THR 205.A N LEU 138.A O no hydrogen 2.892 N/A TRP 206.A N TYR 191.A O no hydrogen 3.025 N/A TRP 206.A NE1 SER 194.A O no hydrogen 2.845 N/A ILE 207.A N VAL 140.A O no hydrogen 3.122 N/A VAL 208.A N TRP 189.A O no hydrogen 2.963 N/A LEU 209.A N GLY 142.A O no hydrogen 2.952 N/A LYS 210.A N ASP 187.A O no hydrogen 2.858 N/A ILE 213.A N PHE 144.A O no hydrogen 2.799 N/A VAL 215.A N LYS 146.A O no hydrogen 2.927 N/A SER 216.A N GLN 219.A OE1 no hydrogen 3.226 N/A SER 216.A OG GLU 218.A OE1 no hydrogen 3.488 N/A GLN 219.A N SER 216.A O no hydrogen 3.090 N/A GLN 219.A N SER 216.A OG no hydrogen 3.310 N/A GLN 219.A NE2 LYS 151.A O no hydrogen 3.019 N/A GLN 219.A NE2 GLN 155.A OE1 no hydrogen 2.958 N/A VAL 220.A N SER 216.A O no hydrogen 3.205 N/A LEU 221.A N SER 217.A O no hydrogen 2.814 N/A LYS 222.A N GLU 218.A O no hydrogen 3.395 N/A ARG 224.A N VAL 220.A O no hydrogen 3.367 N/A ARG 224.A NE GLY 96.A O no hydrogen 2.780 N/A ARG 224.A NH1 ASP 99.A OD1 no hydrogen 3.427 N/A ARG 224.A NH2 ASP 99.A OD1 no hydrogen 2.636 N/A LYS 225.A N LYS 222.A O no hydrogen 3.155 N/A LEU 226.A N PHE 223.A O no hydrogen 3.248 N/A ASN 227.A N LYS 165.A O no hydrogen 2.803 N/A ASN 227.A ND2 GLU 235.A OE2 no hydrogen 2.861 N/A PHE 228.A N GLU 236.A O no hydrogen 2.941 N/A ASN 229.A ND2 GLY 230.A O no hydrogen 2.993 N/A GLY 230.A N GLU 233.A OE1 no hydrogen 2.988 N/A GLU 233.A N GLY 230.A O no hydrogen 3.095 N/A GLU 236.A N ASN 229.A OD1 no hydrogen 2.778 N/A MET 238.A N LEU 226.A O no hydrogen 2.735 N/A ASN 241.A N TRP 95.A O no hydrogen 3.353 N/A ASN 241.A ND2 HIS 62.A O no hydrogen 2.841 N/A ASN 241.A ND2 PHE 93.A O no hydrogen 3.652 N/A TRP 242.A NE1 ASP 240.A OD1 no hydrogen 3.092 N/A ARG 243.A N GLN 104.A OE1 no hydrogen 2.687 N/A ARG 243.A NH1 GLN 26.A OE1 no hydrogen 2.700 N/A ARG 243.A NH1 SER 27.A O no hydrogen 2.875 N/A ARG 243.A NH2 ALA 21.A O no hydrogen 3.182 N/A ARG 243.A NH2 GLN 26.A OE1 no hydrogen 3.439 N/A GLN 246.A N PRO 28.A O no hydrogen 2.788 N/A GLN 246.A NE2 PRO 244.A O no hydrogen 2.973 N/A LYS 249.A NZ GLY 23.A O no hydrogen 3.421 N/A ARG 251.A N LYS 249.A O no hydrogen 2.925 N/A ARG 251.A NE LEU 248.A O no hydrogen 2.876 N/A ARG 251.A NH1 GLN 26.A O no hydrogen 3.091 N/A ARG 251.A NH1 PRO 192.A O no hydrogen 2.793 N/A ARG 251.A NH2 GLN 26.A O no hydrogen 2.786 N/A ARG 251.A NH2 PRO 247.A O no hydrogen 3.051 N/A LYS 254.A N THR 190.A O no hydrogen 3.012 N/A LYS 254.A NZ ASP 39.A OD2 no hydrogen 3.518 N/A ALA 255.A N LYS 37.A O no hydrogen 2.883 N/A SER 256.A N TYR 188.A O no hydrogen 2.855 N/A SER 256.A OG TYR 188.A O no hydrogen 3.324 N/A