Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jkw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N LEU 195.A O no hydrogen 3.139 N/A SER 4.A N GLN 8.A OE1 no hydrogen 3.046 N/A SER 4.A OG GLN 8.A OE1 no hydrogen 2.938 N/A GLN 8.A N SER 5.A OG no hydrogen 3.181 N/A ALA 10.A N GLU 6.A O no hydrogen 2.947 N/A ARG 11.A N GLU 7.A O no hydrogen 2.915 N/A LEU 12.A N GLN 8.A O no hydrogen 3.190 N/A ARG 13.A N LEU 9.A O no hydrogen 3.001 N/A ARG 13.A NH1 ASP 192.A OD2 no hydrogen 3.345 N/A ARG 13.A NH2 ASP 192.A OD1 no hydrogen 3.127 N/A ALA 14.A N ALA 10.A O no hydrogen 2.952 N/A ASP 15.A N ARG 11.A O no hydrogen 2.809 N/A ALA 16.A N LEU 12.A O no hydrogen 3.109 N/A ASN 17.A N ARG 13.A O no hydrogen 3.188 N/A ASN 17.A ND2 LEU 38.A O no hydrogen 2.819 N/A ASN 17.A ND2 GLU 43.A OE2 no hydrogen 2.904 N/A ARG 18.A N ALA 14.A O no hydrogen 3.035 N/A LYS 19.A N ASP 15.A O no hydrogen 2.846 N/A PHE 20.A N ALA 16.A O no hydrogen 3.319 N/A ARG 21.A N ASN 17.A O no hydrogen 3.097 N/A ARG 21.A NE ASN 17.A OD1 no hydrogen 2.988 N/A ARG 21.A NH2 LEU 38.A O no hydrogen 2.885 N/A CYS 22.A N ARG 18.A O no hydrogen 2.805 N/A CYS 22.A SG ARG 18.A O no hydrogen 3.658 N/A LYS 23.A N LYS 19.A O no hydrogen 2.883 N/A LYS 23.A NZ GLU 88.A OE2 no hydrogen 2.906 N/A ALA 24.A N PHE 20.A O no hydrogen 2.725 N/A VAL 25.A N ARG 21.A O no hydrogen 2.873 N/A ALA 26.A N CYS 22.A O no hydrogen 2.769 N/A ASN 27.A N LYS 23.A O no hydrogen 2.890 N/A LYS 29.A N ASN 27.A O no hydrogen 2.805 N/A VAL 30.A N GLY 28.A O no hydrogen 2.773 N/A ASP 34.A N LEU 31.A O no hydrogen 2.618 N/A VAL 36.A N ASP 34.A OD1 no hydrogen 2.959 N/A PHE 37.A N ASP 34.A O no hydrogen 3.381 N/A GLU 39.A N GLU 42.A OE1 no hydrogen 2.856 N/A GLU 43.A N GLU 39.A O no hydrogen 3.023 N/A MET 44.A N PRO 40.A O no hydrogen 3.088 N/A THR 45.A N HIS 41.A O no hydrogen 3.297 N/A LEU 46.A N GLU 42.A O no hydrogen 3.203 N/A CYS 47.A N GLU 43.A O no hydrogen 2.843 N/A CYS 47.A SG GLU 43.A O no hydrogen 3.684 N/A LYS 48.A N MET 44.A O no hydrogen 2.810 N/A LYS 48.A NZ GLU 253.A O no hydrogen 2.594 N/A TYR 49.A N THR 45.A O no hydrogen 2.870 N/A TYR 50.A N LEU 46.A O no hydrogen 2.907 N/A GLU 51.A N CYS 47.A O no hydrogen 2.800 N/A LYS 52.A N LYS 48.A O no hydrogen 3.059 N/A ARG 53.A N TYR 49.A O no hydrogen 2.955 N/A ARG 53.A NE TYR 49.A OH no hydrogen 3.076 N/A LEU 54.A N TYR 50.A O no hydrogen 2.674 N/A LEU 55.A N GLU 51.A O no hydrogen 2.917 N/A GLU 56.A N LYS 52.A O no hydrogen 2.929 N/A PHE 57.A N ARG 53.A O no hydrogen 3.122 N/A CYS 58.A N LEU 54.A O no hydrogen 3.204 N/A CYS 58.A SG LEU 54.A O no hydrogen 3.200 N/A SER 59.A N LEU 55.A O no hydrogen 2.921 N/A SER 59.A OG GLU 56.A O no hydrogen 2.600 N/A VAL 60.A N GLU 56.A O no hydrogen 3.051 N/A PHE 61.A N CYS 58.A O no hydrogen 3.263 N/A LYS 62.A N ASN 118.A OD1 no hydrogen 2.678 N/A SER 68.A OG ASP 106.A OD2 no hydrogen 3.069 N/A VAL 69.A N PRO 66.A O no hydrogen 3.005 N/A VAL 70.A N PRO 66.A O no hydrogen 3.353 N/A GLY 71.A N ARG 67.A O no hydrogen 3.059 N/A THR 72.A N SER 68.A O no hydrogen 2.801 N/A THR 72.A OG1 SER 68.A O no hydrogen 2.907 N/A THR 72.A OG1 ASP 106.A OD2 no hydrogen 3.284 N/A ALA 73.A N VAL 69.A O no hydrogen 2.837 N/A CYS 74.A N VAL 70.A O no hydrogen 3.096 N/A CYS 74.A SG VAL 70.A O no hydrogen 3.286 N/A MET 75.A N GLY 71.A O no hydrogen 3.153 N/A TYR 76.A N THR 72.A O no hydrogen 3.098 N/A TYR 76.A OH LEU 148.A O no hydrogen 2.663 N/A PHE 77.A N ALA 73.A O no hydrogen 3.121 N/A LYS 78.A N CYS 74.A O no hydrogen 3.098 N/A LYS 78.A NZ GLU 51.A OE1 no hydrogen 3.006 N/A LYS 78.A NZ GLU 51.A OE2 no hydrogen 2.628 N/A LYS 78.A NZ ALA 189.A O no hydrogen 2.768 N/A ARG 79.A N MET 75.A O no hydrogen 2.939 N/A PHE 80.A N TYR 76.A O no hydrogen 2.709 N/A TYR 81.A N PHE 77.A O no hydrogen 3.441 N/A TYR 81.A OH TYR 89.A O no hydrogen 2.863 N/A LEU 82.A N ARG 79.A O no hydrogen 3.181 N/A ASN 83.A N PHE 80.A O no hydrogen 3.255 N/A ASN 84.A ND2 PHE 80.A O no hydrogen 3.619 N/A ASN 84.A ND2 GLN 143.A OE1 no hydrogen 3.035 N/A SER 85.A OG GLU 43.A OE2 no hydrogen 2.725 N/A VAL 86.A N GLU 43.A OE1 no hydrogen 3.110 N/A MET 87.A N SER 85.A OG no hydrogen 3.155 N/A GLU 88.A N SER 85.A O no hydrogen 2.935 N/A TYR 89.A N SER 85.A O no hydrogen 3.124 N/A ARG 92.A NH2 GLU 121.A OE2 no hydrogen 2.603 N/A ILE 93.A N HIS 90.A O no hydrogen 2.937 N/A ILE 94.A N HIS 90.A O no hydrogen 2.998 N/A MET 95.A N PRO 91.A O no hydrogen 2.866 N/A LEU 96.A N ARG 92.A O no hydrogen 3.489 N/A THR 97.A N ILE 93.A O no hydrogen 2.802 N/A THR 97.A OG1 ILE 93.A O no hydrogen 2.657 N/A CYS 98.A N ILE 94.A O no hydrogen 2.845 N/A CYS 98.A SG ILE 94.A O no hydrogen 3.109 N/A ALA 99.A N MET 95.A O no hydrogen 3.115 N/A PHE 100.A N LEU 96.A O no hydrogen 3.133 N/A LEU 101.A N THR 97.A O no hydrogen 2.825 N/A ALA 102.A N CYS 98.A O no hydrogen 2.934 N/A CYS 103.A N ALA 99.A O no hydrogen 2.857 N/A CYS 103.A SG ALA 99.A O no hydrogen 3.456 N/A LYS 104.A N PHE 100.A O no hydrogen 3.050 N/A LYS 104.A NZ VAL 110.A O no hydrogen 3.105 N/A VAL 105.A N LEU 101.A O no hydrogen 2.804 N/A ASP 106.A N ALA 102.A O no hydrogen 3.028 N/A GLU 107.A N LYS 104.A O no hydrogen 3.274 N/A PHE 108.A N CYS 103.A O no hydrogen 2.824 N/A GLN 114.A NE2 SER 111.A OG no hydrogen 3.067 N/A PHE 115.A N SER 111.A O no hydrogen 2.903 N/A VAL 116.A N SER 112.A O no hydrogen 3.005 N/A ASN 118.A N PHE 115.A O no hydrogen 2.934 N/A ASN 118.A ND2 GLN 114.A O no hydrogen 3.037 N/A ASN 118.A ND2 PHE 115.A O no hydrogen 3.351 N/A LEU 119.A N VAL 116.A O no hydrogen 3.185 N/A GLU 121.A N LEU 119.A O no hydrogen 2.795 N/A GLY 125.A N SER 122.A OG no hydrogen 3.280 N/A GLN 126.A N SER 122.A O no hydrogen 2.937 N/A GLN 126.A NE2 LEU 119.A O no hydrogen 2.994 N/A GLU 127.A N PRO 123.A O no hydrogen 2.941 N/A LYS 128.A N LEU 124.A O no hydrogen 2.810 N/A ALA 129.A N GLY 125.A O no hydrogen 3.031 N/A LEU 130.A N GLN 126.A O no hydrogen 3.006 N/A GLU 131.A N GLU 127.A O no hydrogen 2.899 N/A GLN 132.A N LYS 128.A O no hydrogen 3.103 N/A ILE 133.A N ALA 129.A O no hydrogen 3.077 N/A LEU 134.A N LEU 130.A O no hydrogen 3.173 N/A GLU 135.A N GLU 131.A O no hydrogen 3.054 N/A TYR 136.A N GLN 132.A O no hydrogen 3.011 N/A GLU 137.A N ILE 133.A O no hydrogen 2.828 N/A LEU 140.A N TYR 136.A O no hydrogen 2.779 N/A ILE 141.A N GLU 137.A O no hydrogen 2.881 N/A GLN 142.A N LEU 138.A O no hydrogen 2.716 N/A GLN 143.A N LEU 139.A O no hydrogen 2.784 N/A LEU 144.A N ILE 141.A O no hydrogen 3.413 N/A ASN 145.A N GLN 142.A O no hydrogen 2.992 N/A PHE 146.A N ILE 141.A O no hydrogen 3.118 N/A HIS 147.A N LEU 144.A O no hydrogen 2.926 N/A ASN 152.A ND2 THR 72.A OG1 no hydrogen 3.110 N/A PHE 157.A N PRO 153.A O no hydrogen 3.073 N/A GLU 158.A N TYR 154.A O no hydrogen 3.131 N/A GLY 159.A N ARG 155.A O no hydrogen 3.311 N/A PHE 160.A N PRO 156.A O no hydrogen 3.004 N/A LEU 161.A N PHE 157.A O no hydrogen 2.978 N/A ILE 162.A N GLU 158.A O no hydrogen 3.123 N/A ASP 163.A N GLY 159.A O no hydrogen 2.900 N/A LEU 164.A N PHE 160.A O no hydrogen 2.870 N/A LYS 165.A N LEU 161.A O no hydrogen 3.124 N/A THR 166.A N ILE 162.A O no hydrogen 3.206 N/A ARG 167.A N ASP 163.A O no hydrogen 2.999 N/A TYR 168.A N LEU 164.A O no hydrogen 2.771 N/A TYR 168.A OH SER 220.A OG no hydrogen 3.028 N/A LEU 171.A N TYR 168.A O no hydrogen 3.013 N/A ARG 178.A N PRO 174.A O no hydrogen 2.679 N/A ARG 178.A NH1 GLU 158.A OE2 no hydrogen 2.959 N/A ARG 178.A NH2 GLU 158.A OE1 no hydrogen 2.661 N/A ARG 178.A NH2 GLU 158.A OE2 no hydrogen 3.380 N/A LYS 179.A N GLU 175.A O no hydrogen 3.366 N/A LYS 179.A NZ ASP 183.A OD1 no hydrogen 3.467 N/A THR 180.A N ILE 176.A O no hydrogen 3.195 N/A THR 180.A OG1 ILE 176.A O no hydrogen 3.160 N/A ALA 181.A N LEU 177.A O no hydrogen 2.797 N/A ASP 182.A N ARG 178.A O no hydrogen 2.715 N/A ASP 183.A N LYS 179.A O no hydrogen 3.018 N/A PHE 184.A N THR 180.A O no hydrogen 2.984 N/A LEU 185.A N ALA 181.A O no hydrogen 3.054 N/A ASN 186.A N ASP 182.A O no hydrogen 2.961 N/A ARG 187.A N PHE 184.A O no hydrogen 3.231 N/A ILE 188.A N PHE 184.A O no hydrogen 3.163 N/A ALA 189.A N LEU 185.A O no hydrogen 2.930 N/A LEU 190.A N ARG 187.A O no hydrogen 3.091 N/A THR 191.A N ILE 188.A O no hydrogen 2.747 N/A THR 191.A OG1 ILE 188.A O no hydrogen 2.810 N/A ALA 193.A N THR 191.A OG1 no hydrogen 3.013 N/A TYR 194.A OH TYR 154.A OH no hydrogen 3.417 N/A LEU 195.A N ASP 192.A O no hydrogen 2.763 N/A LEU 196.A N ALA 193.A O no hydrogen 2.863 N/A TYR 197.A N ALA 193.A O no hydrogen 2.897 N/A THR 198.A N GLN 201.A OE1 no hydrogen 3.322 N/A THR 198.A OG1 ASN 231.A OD1 no hydrogen 3.269 N/A GLN 201.A N THR 198.A OG1 no hydrogen 3.160 N/A ILE 202.A N THR 198.A O no hydrogen 3.146 N/A ALA 203.A N PRO 199.A O no hydrogen 2.735 N/A LEU 204.A N SER 200.A O no hydrogen 2.738 N/A THR 205.A N GLN 201.A O no hydrogen 2.926 N/A THR 205.A OG1 GLN 201.A O no hydrogen 2.783 N/A ALA 206.A N ILE 202.A O no hydrogen 3.212 N/A ILE 207.A N ALA 203.A O no hydrogen 3.119 N/A LEU 208.A N LEU 204.A O no hydrogen 2.884 N/A SER 209.A N THR 205.A O no hydrogen 3.066 N/A SER 209.A OG THR 205.A O no hydrogen 2.856 N/A SER 210.A N ILE 207.A O no hydrogen 2.870 N/A SER 210.A OG ALA 206.A O no hydrogen 2.798 N/A SER 210.A OG ILE 207.A O no hydrogen 2.939 N/A ALA 211.A N ILE 207.A O no hydrogen 2.909 N/A SER 212.A N LEU 208.A O no hydrogen 3.222 N/A ARG 213.A N SER 209.A O no hydrogen 3.265 N/A ALA 214.A N SER 210.A O no hydrogen 2.916 N/A GLY 215.A N SER 212.A O no hydrogen 3.019 N/A THR 217.A OG1 GLY 215.A O no hydrogen 3.296 N/A SER 220.A OG TYR 168.A OH no hydrogen 3.028 N/A TYR 221.A N MET 218.A O no hydrogen 2.935 N/A TYR 221.A OH ASP 163.A OD2 no hydrogen 2.747 N/A SER 223.A OG SER 220.A O no hydrogen 3.481 N/A GLU 224.A N SER 220.A O no hydrogen 2.994 N/A SER 225.A N TYR 221.A O no hydrogen 3.135 N/A SER 225.A OG ASP 163.A OD2 no hydrogen 2.886 N/A GLN 237.A N CYS 234.A O no hydrogen 3.091 N/A LEU 238.A N THR 233.A OG1 no hydrogen 2.676 N/A LEU 239.A N LEU 235.A O no hydrogen 3.054 N/A ASP 240.A N SER 236.A O no hydrogen 2.949 N/A ILE 241.A N GLN 237.A O no hydrogen 2.680 N/A MET 242.A N LEU 238.A O no hydrogen 2.865 N/A LYS 243.A N LEU 239.A O no hydrogen 3.146 N/A SER 244.A N ASP 240.A O no hydrogen 2.774 N/A SER 244.A OG ASP 240.A O no hydrogen 2.640 N/A MET 245.A N ILE 241.A O no hydrogen 2.811 N/A ARG 246.A N MET 242.A O no hydrogen 2.828 N/A ASN 247.A N LYS 243.A O no hydrogen 2.915 N/A LEU 248.A N SER 244.A O no hydrogen 2.906 N/A VAL 249.A N MET 245.A O no hydrogen 3.068 N/A LYS 250.A N ARG 246.A O no hydrogen 3.350 N/A LYS 251.A N ASN 247.A O no hydrogen 2.826 N/A LYS 251.A NZ GLU 6.A OE1 no hydrogen 3.476 N/A TYR 252.A N VAL 249.A O no hydrogen 3.366 N/A VAL 260.A N ARG 256.A O no hydrogen 3.064 N/A ALA 261.A N SER 257.A O no hydrogen 3.307 N/A VAL 262.A N GLU 258.A O no hydrogen 3.001 N/A VAL 262.A N GLU 259.A O no hydrogen 2.977 N/A LEU 263.A N GLU 259.A O no hydrogen 2.742 N/A LYS 264.A N VAL 260.A O no hydrogen 2.621 N/A LYS 264.A NZ TYR 49.A OH no hydrogen 2.779 N/A GLN 265.A N ALA 261.A O no hydrogen 3.480 N/A LYS 266.A N VAL 262.A O no hydrogen 2.869 N/A LYS 266.A NZ PRO 35.A O no hydrogen 3.293 N/A LYS 266.A NZ GLU 42.A OE1 no hydrogen 3.474 N/A LEU 267.A N LEU 263.A O no hydrogen 2.817 N/A ASP 268.A N LYS 264.A O no hydrogen 2.681 N/A ARG 269.A N GLN 265.A O no hydrogen 2.721 N/A CYS 270.A N LYS 266.A O no hydrogen 2.749 N/A CYS 270.A SG VAL 36.A O no hydrogen 4.041 N/A HIS 271.A N LEU 267.A O no hydrogen 3.005 N/A HIS 271.A NE2 VAL 86.A O no hydrogen 2.972 N/A SER 272.A N ASP 268.A O no hydrogen 2.796 N/A SER 272.A OG ASP 268.A O no hydrogen 2.427 N/A ALA 273.A N ARG 269.A O no hydrogen 3.328 N/A